@MOLECULE global 1345 1465 1 0 0 SMALL NO_CHARGES **** Generated from the CSD @ATOM 1 C1_1 -4.9999 -0.1421 20.5034 C.2 1 RES1 0.0000 2 N1_1 -9.3961 3.8723 17.8989 N.2 1 RES1 0.0000 3 O1_1 -3.2142 -1.3043 19.1311 O.3 1 RES1 0.0000 4 C2_1 -5.6095 -0.9660 21.4553 C.2 1 RES1 0.0000 5 H2_1 -5.0919 -1.6036 21.9283 H 1 RES1 0.0000 6 N2_1 -9.0948 -3.0521 24.6964 N.2 1 RES1 0.0000 7 O2_1 -2.7684 -0.5752 21.4962 O.3 1 RES1 0.0000 8 C3_1 -5.7629 0.8311 19.8494 C.2 1 RES1 0.0000 9 H3_1 -5.3311 1.4387 19.2596 H 1 RES1 0.0000 10 N3_1 -1.6757 1.2630 19.5165 N.2 1 RES1 0.0000 11 O3_1 -3.0460 1.1069 19.6976 O.3 1 RES1 0.0000 12 C4_1 -7.1423 0.9372 20.0421 C.2 1 RES1 0.0000 13 N4_1 -1.3912 -0.7170 21.4787 N.2 1 RES1 0.0000 14 C5_1 -7.7135 0.0690 20.9589 C.2 1 RES1 0.0000 15 H5_1 -8.6546 0.0978 21.0874 H 1 RES1 0.0000 16 N5_1 -1.8421 -1.5056 18.9033 N.2 1 RES1 0.0000 17 C6_1 -6.9757 -0.8473 21.7006 C.2 1 RES1 0.0000 18 C7_1 -8.1256 4.1419 18.2493 C.2 1 RES1 0.0000 19 H7_1 -7.7302 4.9736 18.0157 H 1 RES1 0.0000 20 C8_1 -7.3878 3.1867 18.9617 C.2 1 RES1 0.0000 21 H8_1 -6.4947 3.3784 19.2245 H 1 RES1 0.0000 22 C9_1 -7.9509 1.9504 19.2888 C.2 1 RES1 0.0000 23 C10_1 -9.3007 1.7311 18.9734 C.2 1 RES1 0.0000 24 H10_1 -9.7539 0.9497 19.2712 H 1 RES1 0.0000 25 C11_1 -9.9536 2.7061 18.2142 C.2 1 RES1 0.0000 26 H11_1 -10.8363 2.5280 17.9047 H 1 RES1 0.0000 27 C12_1 -7.8889 -2.5676 24.9942 C.2 1 RES1 0.0000 28 H12_1 -7.5279 -2.7213 25.8585 H 1 RES1 0.0000 29 C13_1 -7.1429 -1.8305 24.0423 C.2 1 RES1 0.0000 30 H13_1 -6.3055 -1.4478 24.2818 H 1 RES1 0.0000 31 C14_1 -7.6486 -1.6753 22.7518 C.2 1 RES1 0.0000 32 C15_1 -8.9897 -2.0604 22.5357 C.2 1 RES1 0.0000 33 H15_1 -9.4529 -1.7923 21.7532 H 1 RES1 0.0000 34 C16_1 -9.6193 -2.8436 23.4992 C.2 1 RES1 0.0000 35 H16_1 -10.4557 -3.2447 23.2949 H 1 RES1 0.0000 36 C31_1 -1.2133 2.4160 19.2420 C.2 1 RES1 0.0000 37 C32_1 -2.1219 3.6040 19.1545 C.3 1 RES1 0.0000 38 H32A_1 -2.8333 3.4538 18.4829 H 1 RES1 0.0000 39 H32B_1 -1.6138 4.4165 18.9033 H 1 RES1 0.0000 40 C33_1 -2.7104 3.7506 20.5385 C.3 1 RES1 0.0000 41 H33A_1 -3.3182 4.5185 20.5502 H 1 RES1 0.0000 42 H33B_1 -3.2040 2.9374 20.7662 H 1 RES1 0.0000 43 H33C_1 -1.9891 3.8942 21.1867 H 1 RES1 0.0000 44 C41_1 -0.7913 -1.2536 22.5182 C.2 1 RES1 0.0000 45 C42_1 -1.6373 -1.6596 23.6861 C.3 1 RES1 0.0000 46 H42A_1 -2.2944 -0.9610 23.9080 H 1 RES1 0.0000 47 H42B_1 -1.0690 -1.8277 24.4862 H 1 RES1 0.0000 48 C43_1 -2.3387 -2.9341 23.2715 C.3 1 RES1 0.0000 49 H43A_1 -2.9072 -3.2454 24.0073 H 1 RES1 0.0000 50 H43B_1 -2.8925 -2.7553 22.4831 H 1 RES1 0.0000 51 H43C_1 -1.6739 -3.6190 23.0613 H 1 RES1 0.0000 52 C51_1 -1.4091 -2.5953 18.3486 C.2 1 RES1 0.0000 53 C52_1 -2.1136 -3.8956 18.6289 C.3 1 RES1 0.0000 54 H52A_1 -1.4827 -4.6486 18.5296 H 1 RES1 0.0000 55 H52B_1 -2.4584 -3.8972 19.5574 H 1 RES1 0.0000 56 C53_1 -3.2446 -4.0431 17.6653 C.3 1 RES1 0.0000 57 H53A_1 -3.7136 -4.8868 17.8405 H 1 RES1 0.0000 58 H53B_1 -3.8689 -3.2972 17.7763 H 1 RES1 0.0000 59 H53C_1 -2.8939 -4.0456 16.7485 H 1 RES1 0.0000 60 B_1 -3.4231 -0.2632 20.1939 B 1 RES1 0.0000 61 Fe_2 -0.5131 -0.2999 19.7303 Fe 1 RES1 0.0000 62 C1_3 4.0105 -0.2733 18.9384 C.2 1 RES1 0.0000 63 N1_3 7.7071 3.4588 15.1951 N.2 1 RES1 0.0000 64 O1_3 1.7455 -0.9916 18.0274 O.3 1 RES1 0.0000 65 C2_3 4.8405 -1.1800 19.6158 C.2 1 RES1 0.0000 66 H2_3 4.4553 -1.7906 20.2348 H 1 RES1 0.0000 67 N2_3 9.0508 -3.3197 21.7356 N.2 1 RES1 0.0000 68 O2_3 2.1574 -0.7651 20.5093 O.3 1 RES1 0.0000 69 C3_3 4.6300 0.6369 18.0799 C.2 1 RES1 0.0000 70 H3_3 4.0917 1.2674 17.6186 H 1 RES1 0.0000 71 N3_3 0.6375 1.3364 19.3530 N.2 1 RES1 0.0000 72 O3_3 2.0048 1.2075 19.0902 O.3 1 RES1 0.0000 73 C4_3 5.9984 0.6577 17.8755 C.2 1 RES1 0.0000 74 N4_3 0.8542 -1.0593 20.8421 N.2 1 RES1 0.0000 75 C5_3 6.7919 -0.2490 18.5530 C.2 1 RES1 0.0000 76 H5_3 7.7359 -0.2234 18.4478 H 1 RES1 0.0000 77 N5_3 0.3539 -1.0957 18.0799 N.2 1 RES1 0.0000 78 C6_3 6.2144 -1.2029 19.3997 C.2 1 RES1 0.0000 79 C7_3 6.5537 3.7622 15.8024 C.2 1 RES1 0.0000 80 H7_3 6.1274 4.5891 15.6156 H 1 RES1 0.0000 81 C8_3 5.9641 2.8586 16.7134 C.2 1 RES1 0.0000 82 H8_3 5.1506 3.0685 17.1514 H 1 RES1 0.0000 83 C9_3 6.6172 1.6498 16.9470 C.2 1 RES1 0.0000 84 C10_3 7.8304 1.3728 16.3163 C.2 1 RES1 0.0000 85 H10_3 8.2897 0.5572 16.4798 H 1 RES1 0.0000 86 C11_3 8.3579 2.3333 15.4345 C.2 1 RES1 0.0000 87 H11_3 9.1900 2.1707 15.0024 H 1 RES1 0.0000 88 C12_3 7.8412 -3.1307 22.2320 C.2 1 RES1 0.0000 89 H12_3 7.6325 -3.4382 23.1080 H 1 RES1 0.0000 90 C13_3 6.8632 -2.4724 21.4670 C.2 1 RES1 0.0000 91 H13_3 6.0273 -2.2518 21.8583 H 1 RES1 0.0000 92 C14_3 7.1234 -2.1456 20.1355 C.2 1 RES1 0.0000 93 C15_3 8.4437 -2.3177 19.6800 C.2 1 RES1 0.0000 94 H15_3 8.6907 -2.0431 18.8041 H 1 RES1 0.0000 95 C16_3 9.3817 -2.8951 20.5326 C.2 1 RES1 0.0000 96 H16_3 10.2795 -2.9822 20.2406 H 1 RES1 0.0000 97 C31_3 0.1283 2.4919 19.0844 C.2 1 RES1 0.0000 98 C32_3 0.9948 3.6569 18.7223 C.3 1 RES1 0.0000 99 H32A_3 1.7789 3.7095 19.3238 H 1 RES1 0.0000 100 H32B_3 0.4849 4.5032 18.7865 H 1 RES1 0.0000 101 C33_3 1.4354 3.4181 17.3032 C.3 1 RES1 0.0000 102 H33A_3 2.0114 4.1540 17.0113 H 1 RES1 0.0000 103 H33B_3 1.9335 2.5760 17.2565 H 1 RES1 0.0000 104 H33C_3 0.6492 3.3667 16.7193 H 1 RES1 0.0000 105 C41_3 0.5171 -1.3509 22.0627 C.2 1 RES1 0.0000 106 C42_3 1.5646 -1.8433 23.0204 C.3 1 RES1 0.0000 107 H42A_3 2.2395 -2.3877 22.5474 H 1 RES1 0.0000 108 H42B_3 1.1514 -2.3891 23.7387 H 1 RES1 0.0000 109 C43_3 2.1915 -0.6033 23.5985 C.3 1 RES1 0.0000 110 H43A_3 2.8913 -0.8476 24.2351 H 1 RES1 0.0000 111 H43B_3 2.5861 -0.0659 22.8744 H 1 RES1 0.0000 112 H43C_3 1.5049 -0.0661 24.0540 H 1 RES1 0.0000 113 C51_3 -0.1837 -2.2583 17.7704 C.2 1 RES1 0.0000 114 C52_3 0.5533 -3.1927 16.8653 C.3 1 RES1 0.0000 115 H52A_3 1.0333 -2.6707 16.1762 H 1 RES1 0.0000 116 H52B_3 -0.0948 -3.7838 16.4098 H 1 RES1 0.0000 117 C53_3 1.5319 -4.0185 17.6303 C.3 1 RES1 0.0000 118 H53A_3 1.9998 -4.6205 17.0171 H 1 RES1 0.0000 119 H53B_3 2.1792 -3.4322 18.0741 H 1 RES1 0.0000 120 H53C_3 1.0541 -4.5453 18.3077 H 1 RES1 0.0000 121 B_3 2.4097 -0.2486 19.1369 B 1 RES1 0.0000 122 Pt_4 8.5919 5.0469 14.1358 Pt 1 RES1 0.0000 123 P1_5 9.5080 6.1430 15.7557 P.3 1 RES1 0.0000 124 P2_5 9.6538 6.6579 13.2212 P.3 1 RES1 0.0000 125 C0_5 10.1640 7.6258 14.7688 C.3 1 RES1 0.0000 126 H0A_5 11.1395 7.7725 14.8564 H 1 RES1 0.0000 127 H0B_5 9.6578 8.4644 14.9089 H 1 RES1 0.0000 128 C1_5 6.9590 7.4063 16.3397 C.3 1 RES1 0.0000 129 H1A_5 6.6179 6.8209 15.6214 H 1 RES1 0.0000 130 H1B_5 7.2027 8.2791 15.9367 H 1 RES1 0.0000 131 C2_5 5.8730 7.6322 17.3558 C.3 1 RES1 0.0000 132 H2A_5 5.1285 8.1184 16.9295 H 1 RES1 0.0000 133 H2B_5 5.5293 6.7490 17.6536 H 1 RES1 0.0000 134 C3_5 6.3447 8.4088 18.5471 C.3 1 RES1 0.0000 135 H3A_5 6.5314 9.3285 18.2726 H 1 RES1 0.0000 136 H3B_5 5.6273 8.4153 19.2187 H 1 RES1 0.0000 137 C4_5 7.5747 7.8372 19.1661 C.3 1 RES1 0.0000 138 H4A_5 7.3484 6.9823 19.6275 H 1 RES1 0.0000 139 H4B_5 7.9227 8.4590 19.8494 H 1 RES1 0.0000 140 C5_5 8.6568 7.5514 18.1500 C.3 1 RES1 0.0000 141 H5A_5 9.0281 8.4232 17.8463 H 1 RES1 0.0000 142 H5B_5 9.3850 7.0520 18.5880 H 1 RES1 0.0000 143 C6_5 8.1815 6.7897 16.9587 C.3 1 RES1 0.0000 144 H6_5 7.8234 5.9498 17.3616 H 1 RES1 0.0000 145 C7_5 10.9307 5.3813 16.7718 C.3 1 RES1 0.0000 146 H7_5 11.3648 6.1472 17.2448 H 1 RES1 0.0000 147 C8_5 12.0020 4.7988 15.8783 C.3 1 RES1 0.0000 148 H8A_5 12.3269 5.4962 15.2593 H 1 RES1 0.0000 149 H8B_5 11.6185 4.0634 15.3411 H 1 RES1 0.0000 150 C9_5 13.1485 4.2824 16.6901 C.3 1 RES1 0.0000 151 H9A_5 13.8119 3.8654 16.0827 H 1 RES1 0.0000 152 H9B_5 13.5901 5.0345 17.1514 H 1 RES1 0.0000 153 C10_5 12.6855 3.2670 17.7003 C.3 1 RES1 0.0000 154 H10A_5 13.4580 2.9724 18.2434 H 1 RES1 0.0000 155 H10B_5 12.3205 2.4766 17.2332 H 1 RES1 0.0000 156 C11_5 11.6284 3.8363 18.6055 C.3 1 RES1 0.0000 157 H11A_5 11.2875 3.1186 19.1895 H 1 RES1 0.0000 158 H11B_5 12.0370 4.5293 19.1778 H 1 RES1 0.0000 159 C12_5 10.4867 4.4366 17.8522 C.3 1 RES1 0.0000 160 H12A_5 9.9074 4.9225 18.4887 H 1 RES1 0.0000 161 H12B_5 9.9515 3.7085 17.4492 H 1 RES1 0.0000 162 C13_5 11.2163 6.3877 12.1701 C.3 1 RES1 0.0000 163 H13_5 11.8218 5.8855 12.7833 H 1 RES1 0.0000 164 C14_5 12.0079 7.6246 11.8372 C.3 1 RES1 0.0000 165 H14A_5 11.4726 8.1974 11.2357 H 1 RES1 0.0000 166 H14B_5 12.1671 8.1352 12.6723 H 1 RES1 0.0000 167 C15_5 13.3183 7.3278 11.1948 C.3 1 RES1 0.0000 168 H15A_5 13.6906 8.1624 10.8153 H 1 RES1 0.0000 169 H15B_5 13.9518 6.9980 11.8781 H 1 RES1 0.0000 170 C16_5 13.1967 6.3040 10.1086 C.3 1 RES1 0.0000 171 H16A_5 14.1029 6.0440 9.8108 H 1 RES1 0.0000 172 H16B_5 12.7375 6.7181 9.3320 H 1 RES1 0.0000 173 C17_5 12.4446 5.0745 10.5174 C.3 1 RES1 0.0000 174 H17A_5 12.9333 4.6088 11.2416 H 1 RES1 0.0000 175 H17B_5 12.3720 4.4556 9.7466 H 1 RES1 0.0000 176 C18_5 11.0654 5.4603 10.9905 C.3 1 RES1 0.0000 177 H18A_5 10.5674 5.9139 10.2663 H 1 RES1 0.0000 178 H18B_5 10.5576 4.6519 11.2591 H 1 RES1 0.0000 179 C19_5 8.4091 7.6835 12.2285 C.3 1 RES1 0.0000 180 H19_5 9.0128 8.3739 11.8255 H 1 RES1 0.0000 181 C20_5 7.4979 8.5472 13.0344 C.3 1 RES1 0.0000 182 H20A_5 8.0447 9.1085 13.6359 H 1 RES1 0.0000 183 H20B_5 6.9287 7.9666 13.5950 H 1 RES1 0.0000 184 C21_5 6.6197 9.4323 12.2168 C.3 1 RES1 0.0000 185 H21A_5 7.1688 10.1502 11.8080 H 1 RES1 0.0000 186 H21B_5 5.9500 9.8572 12.8066 H 1 RES1 0.0000 187 C22_5 5.9087 8.6875 11.1248 C.3 1 RES1 0.0000 188 H22A_5 5.3800 9.3232 10.5817 H 1 RES1 0.0000 189 H22B_5 5.2842 8.0331 11.5277 H 1 RES1 0.0000 190 C23_5 6.8841 7.9698 10.2371 C.3 1 RES1 0.0000 191 H23A_5 6.3839 7.4258 9.5831 H 1 RES1 0.0000 192 H23B_5 7.4147 8.6373 9.7349 H 1 RES1 0.0000 193 C24_5 7.8119 7.0786 10.9963 C.3 1 RES1 0.0000 194 H24A_5 7.3219 6.2619 11.2591 H 1 RES1 0.0000 195 H24B_5 8.5463 6.8076 10.3948 H 1 RES1 0.0000 196 C1_6 2.9526 1.1166 9.1217 C.2 1 RES1 0.0000 197 N1_6 6.7555 -1.0132 4.3156 N.2 1 RES1 0.0000 198 O1_6 0.6555 1.1954 8.1114 O.3 1 RES1 0.0000 199 C2_6 3.7747 1.7985 10.0386 C.2 1 RES1 0.0000 200 H2_6 3.3822 2.1870 10.8094 H 1 RES1 0.0000 201 N2_6 7.6827 4.0180 12.5497 N.2 1 RES1 0.0000 202 O2_6 1.1027 -0.3400 10.0269 O.3 1 RES1 0.0000 203 C3_6 3.5392 0.5938 7.9654 C.2 1 RES1 0.0000 204 H3_6 2.9950 0.1851 7.3056 H 1 RES1 0.0000 205 N3_6 -0.2968 2.3639 10.5408 N.2 1 RES1 0.0000 206 O3_6 1.0538 2.0950 10.3890 O.3 1 RES1 0.0000 207 C4_6 4.9247 0.6636 7.7786 C.2 1 RES1 0.0000 208 N4_6 -0.1893 -0.4293 10.5233 N.2 1 RES1 0.0000 209 C5_6 5.7067 1.3605 8.6954 C.2 1 RES1 0.0000 210 H5_6 6.6384 1.4609 8.5319 H 1 RES1 0.0000 211 N5_6 -0.7172 1.0063 8.1465 N.2 1 RES1 0.0000 212 C6_6 5.1423 1.9198 9.8459 C.2 1 RES1 0.0000 213 C7_6 5.4799 -0.6422 4.2572 C.2 1 RES1 0.0000 214 H7_6 4.9879 -0.7399 3.4513 H 1 RES1 0.0000 215 C8_6 4.8409 -0.0691 5.3901 C.2 1 RES1 0.0000 216 H8_6 3.9354 0.1870 5.3434 H 1 RES1 0.0000 217 C9_6 5.5686 0.0623 6.5697 C.2 1 RES1 0.0000 218 C10_6 6.9101 -0.3410 6.5931 C.2 1 RES1 0.0000 219 H10_6 7.4306 -0.2261 7.3756 H 1 RES1 0.0000 220 C11_6 7.4558 -0.8812 5.4310 C.2 1 RES1 0.0000 221 H11_6 8.3624 -1.1787 5.4427 H 1 RES1 0.0000 222 C12_6 6.4360 4.4350 12.3920 C.2 1 RES1 0.0000 223 H12_6 6.1268 5.1836 12.8884 H 1 RES1 0.0000 224 C13_6 5.5578 3.7747 11.4985 C.2 1 RES1 0.0000 225 H13_6 4.6752 4.1002 11.3584 H 1 RES1 0.0000 226 C14_6 6.0155 2.6394 10.8328 C.2 1 RES1 0.0000 227 C15_6 7.3709 2.3002 10.9321 C.2 1 RES1 0.0000 228 H15_6 7.7452 1.6162 10.3890 H 1 RES1 0.0000 229 C16_6 8.1649 2.9928 11.8606 C.2 1 RES1 0.0000 230 H16_6 9.0648 2.7248 11.9949 H 1 RES1 0.0000 231 C31_6 -0.5985 3.4298 11.2124 C.2 1 RES1 0.0000 232 C32_6 0.5514 4.3069 11.6211 C.3 1 RES1 0.0000 233 H32A_6 1.3842 3.7767 11.7146 H 1 RES1 0.0000 234 H32B_6 0.3605 4.7583 12.4796 H 1 RES1 0.0000 235 C33_6 0.6664 5.3061 10.5057 C.3 1 RES1 0.0000 236 H33A_6 1.4144 5.9263 10.7043 H 1 RES1 0.0000 237 H33B_6 0.8559 4.8409 9.6648 H 1 RES1 0.0000 238 H33C_6 -0.1603 5.8165 10.4298 H 1 RES1 0.0000 239 C41_6 -0.6271 -1.4642 11.1948 C.2 1 RES1 0.0000 240 C42_6 0.4230 -2.4921 11.5627 C.3 1 RES1 0.0000 241 H42A_6 -0.0019 -3.2350 12.0708 H 1 RES1 0.0000 242 H42B_6 0.8339 -2.8644 10.7510 H 1 RES1 0.0000 243 C43_6 1.4270 -1.7791 12.4095 C.3 1 RES1 0.0000 244 H43A_6 2.1330 -2.4073 12.6723 H 1 RES1 0.0000 245 H43B_6 1.8244 -1.0440 11.8898 H 1 RES1 0.0000 246 H43C_6 0.9917 -1.4146 13.2096 H 1 RES1 0.0000 247 C51_6 -1.3029 0.4692 7.1012 C.2 1 RES1 0.0000 248 C52_6 -0.4386 0.2689 5.8923 C.3 1 RES1 0.0000 249 H52A_6 0.5200 0.3337 6.1376 H 1 RES1 0.0000 250 H52B_6 -0.5944 -0.6406 5.5069 H 1 RES1 0.0000 251 C53_6 -0.8064 1.3268 4.9054 C.3 1 RES1 0.0000 252 H53A_6 -0.2620 1.2202 4.0995 H 1 RES1 0.0000 253 H53B_6 -1.7540 1.2368 4.6718 H 1 RES1 0.0000 254 H53C_6 -0.6443 2.2051 5.3025 H 1 RES1 0.0000 255 B_6 1.3736 1.0043 9.4020 B 1 RES1 0.0000 256 Fe_7 -1.5355 0.8887 9.9510 Fe 1 RES1 0.0000 257 C1_8 -6.0605 0.9910 10.5641 C.2 1 RES1 0.0000 258 N1_8 -11.1714 -1.4595 7.4107 N.2 1 RES1 0.0000 259 O1_8 -4.1932 1.0015 8.8414 O.3 1 RES1 0.0000 260 C2_8 -6.5679 1.6670 11.6854 C.2 1 RES1 0.0000 261 H2_8 -5.9686 2.1199 12.2635 H 1 RES1 0.0000 262 N2_8 -9.7154 4.0381 15.0608 N.2 1 RES1 0.0000 263 O2_8 -3.9589 -0.3434 10.9145 O.3 1 RES1 0.0000 264 C3_8 -6.9610 0.3762 9.6940 C.2 1 RES1 0.0000 265 H3_8 -6.6365 -0.1236 8.9582 H 1 RES1 0.0000 266 N3_8 -2.5856 2.3922 10.7043 N.2 1 RES1 0.0000 267 O3_8 -3.9068 2.1339 11.0080 O.3 1 RES1 0.0000 268 C4_8 -8.3397 0.4871 9.8984 C.2 1 RES1 0.0000 269 N4_8 -2.5856 -0.3785 11.1131 N.2 1 RES1 0.0000 270 C5_8 -8.8169 1.1667 11.0138 C.2 1 RES1 0.0000 271 H5_8 -9.7518 1.2739 11.1364 H 1 RES1 0.0000 272 N5_8 -2.8928 0.5715 8.5377 N.2 1 RES1 0.0000 273 C6_8 -7.9369 1.6918 11.9715 C.2 1 RES1 0.0000 274 C7_8 -10.0669 -0.9650 6.8442 C.2 1 RES1 0.0000 275 H7_8 -9.9439 -1.0257 5.9098 H 1 RES1 0.0000 276 C8_8 -9.1019 -0.3096 7.6384 C.2 1 RES1 0.0000 277 H8_8 -8.3175 0.0533 7.2472 H 1 RES1 0.0000 278 C9_8 -9.3205 -0.2193 9.0166 C.2 1 RES1 0.0000 279 C10_8 -10.4441 -0.8245 9.5831 C.2 1 RES1 0.0000 280 H10_8 -10.5489 -0.8931 10.5233 H 1 RES1 0.0000 281 C11_8 -11.4046 -1.3639 8.7071 C.2 1 RES1 0.0000 282 H11_8 -12.2474 -1.6293 9.0516 H 1 RES1 0.0000 283 C12_8 -8.5086 4.3735 14.6169 C.2 1 RES1 0.0000 284 H12_8 -8.0681 5.1249 14.9965 H 1 RES1 0.0000 285 C13_8 -7.8747 3.6323 13.6067 C.2 1 RES1 0.0000 286 H13_8 -7.0277 3.9031 13.2680 H 1 RES1 0.0000 287 C14_8 -8.5021 2.4929 13.0986 C.2 1 RES1 0.0000 288 C15_8 -9.8056 2.2210 13.5366 C.2 1 RES1 0.0000 289 H15_8 -10.3088 1.5222 13.1395 H 1 RES1 0.0000 290 C16_8 -10.3606 2.9891 14.5761 C.2 1 RES1 0.0000 291 H16_8 -11.2086 2.7560 14.9265 H 1 RES1 0.0000 292 C31_8 -1.9969 3.3754 11.3058 C.2 1 RES1 0.0000 293 C32_8 -2.8458 4.4263 11.9482 C.3 1 RES1 0.0000 294 H32A_8 -3.8077 4.1952 11.8664 H 1 RES1 0.0000 295 H32B_8 -2.6980 5.3051 11.5160 H 1 RES1 0.0000 296 C33_8 -2.4433 4.4736 13.3964 C.3 1 RES1 0.0000 297 H33A_8 -2.9806 5.1598 13.8578 H 1 RES1 0.0000 298 H33B_8 -2.6011 3.6055 13.8111 H 1 RES1 0.0000 299 H33C_8 -1.4972 4.7118 13.4665 H 1 RES1 0.0000 300 C41_8 -2.0116 -1.4872 11.5394 C.2 1 RES1 0.0000 301 C42_8 -2.8650 -2.5400 12.1818 C.3 1 RES1 0.0000 302 H42A_8 -3.4845 -2.9242 11.5160 H 1 RES1 0.0000 303 H42B_8 -2.2922 -3.2699 12.5322 H 1 RES1 0.0000 304 C43_8 -3.6447 -1.9208 13.3030 C.3 1 RES1 0.0000 305 H43A_8 -4.2041 -2.6129 13.7235 H 1 RES1 0.0000 306 H43B_8 -3.0259 -1.5570 13.9629 H 1 RES1 0.0000 307 H43C_8 -4.2144 -1.2143 12.9468 H 1 RES1 0.0000 308 C51_8 -2.6582 0.1797 7.2997 C.2 1 RES1 0.0000 309 C52_8 -3.8130 -0.4583 6.5697 C.3 1 RES1 0.0000 310 H52A_8 -3.4873 -1.2165 6.0208 H 1 RES1 0.0000 311 H52B_8 -4.4747 -0.8025 7.2180 H 1 RES1 0.0000 312 C53_8 -4.4490 0.5590 5.6879 C.3 1 RES1 0.0000 313 H53A_8 -5.2020 0.1618 5.2091 H 1 RES1 0.0000 314 H53B_8 -4.7763 1.3111 6.2369 H 1 RES1 0.0000 315 H53C_8 -3.7932 0.8996 5.0456 H 1 RES1 0.0000 316 B_8 -4.4756 0.9267 10.3130 B 1 RES1 0.0000 317 Pt_9 -10.4433 5.2187 16.6550 Pt 1 RES1 0.0000 318 P1_10 -11.4573 6.5022 18.1091 P.3 1 RES1 0.0000 319 P2_10 -11.4876 6.7676 15.5280 P.3 1 RES1 0.0000 320 C0_10 -12.4996 7.5708 16.9295 C.3 1 RES1 0.0000 321 H0A_10 -12.3557 8.5458 17.0229 H 1 RES1 0.0000 322 H0B_10 -13.4630 7.3451 16.9120 H 1 RES1 0.0000 323 C1_10 -13.4489 4.4283 18.6406 C.3 1 RES1 0.0000 324 H1A_10 -12.8110 3.7648 18.2785 H 1 RES1 0.0000 325 H1B_10 -13.9794 4.7778 17.8814 H 1 RES1 0.0000 326 C2_10 -14.3784 3.7174 19.5691 C.3 1 RES1 0.0000 327 H2A_10 -13.8556 3.0703 20.1063 H 1 RES1 0.0000 328 H2B_10 -15.0309 3.2035 19.0318 H 1 RES1 0.0000 329 C3_10 -15.1209 4.6172 20.4918 C.3 1 RES1 0.0000 330 H3A_10 -15.5974 4.0725 21.1692 H 1 RES1 0.0000 331 H3B_10 -15.8003 5.1213 19.9779 H 1 RES1 0.0000 332 C4_10 -14.2154 5.5843 21.1925 C.3 1 RES1 0.0000 333 H4A_10 -14.7527 6.1875 21.7648 H 1 RES1 0.0000 334 H4B_10 -13.5902 5.0880 21.7765 H 1 RES1 0.0000 335 C5_10 -13.4277 6.4028 20.2056 C.3 1 RES1 0.0000 336 H5A_10 -14.0478 6.9949 19.7092 H 1 RES1 0.0000 337 H5B_10 -12.7877 6.9754 20.6962 H 1 RES1 0.0000 338 C6_10 -12.6724 5.5515 19.2187 C.3 1 RES1 0.0000 339 H6_10 -12.0457 5.0649 19.8260 H 1 RES1 0.0000 340 C7_10 -10.4252 7.6403 19.2479 C.3 1 RES1 0.0000 341 H7_10 -11.0936 8.1770 19.7676 H 1 RES1 0.0000 342 C8_10 -9.6437 6.8793 20.2874 C.3 1 RES1 0.0000 343 H8A_10 -10.2713 6.3645 20.8480 H 1 RES1 0.0000 344 H8B_10 -9.0492 6.2313 19.8319 H 1 RES1 0.0000 345 C9_10 -8.8173 7.7628 21.1633 C.3 1 RES1 0.0000 346 H9A_10 -8.1909 7.1983 21.6831 H 1 RES1 0.0000 347 H9B_10 -9.4142 8.2182 21.8057 H 1 RES1 0.0000 348 C10_10 -8.0206 8.7982 20.4275 C.3 1 RES1 0.0000 349 H10A_10 -7.3025 8.3567 19.9136 H 1 RES1 0.0000 350 H10B_10 -7.6010 9.4146 21.0757 H 1 RES1 0.0000 351 C11_10 -8.8888 9.5916 19.4815 C.3 1 RES1 0.0000 352 H11A_10 -9.5678 10.0990 19.9954 H 1 RES1 0.0000 353 H11B_10 -8.3349 10.2382 18.9793 H 1 RES1 0.0000 354 C12_10 -9.5737 8.6560 18.5296 C.3 1 RES1 0.0000 355 H12A_10 -8.8913 8.1845 17.9865 H 1 RES1 0.0000 356 H12B_10 -10.1443 9.1797 17.9106 H 1 RES1 0.0000 357 C13_10 -12.6267 5.7815 14.3950 C.3 1 RES1 0.0000 358 H13_10 -13.2725 6.5217 14.2082 H 1 RES1 0.0000 359 C14_10 -13.6217 4.8136 14.9381 C.3 1 RES1 0.0000 360 H14A_10 -13.9342 5.1280 15.8199 H 1 RES1 0.0000 361 H14B_10 -13.1856 3.9333 15.0608 H 1 RES1 0.0000 362 C15_10 -14.7977 4.6549 14.0271 C.3 1 RES1 0.0000 363 H15A_10 -15.3601 3.9088 14.3600 H 1 RES1 0.0000 364 H15B_10 -15.3424 5.4802 14.0622 H 1 RES1 0.0000 365 C16_10 -14.4129 4.3796 12.6139 C.3 1 RES1 0.0000 366 H16A_10 -15.2273 4.4012 12.0474 H 1 RES1 0.0000 367 H16B_10 -14.0306 3.4668 12.5555 H 1 RES1 0.0000 368 C17_10 -13.4131 5.3576 12.0591 C.3 1 RES1 0.0000 369 H17A_10 -13.1006 5.0433 11.1773 H 1 RES1 0.0000 370 H17B_10 -13.8546 6.2349 11.9365 H 1 RES1 0.0000 371 C18_10 -12.2382 5.5188 12.9760 C.3 1 RES1 0.0000 372 H18A_10 -11.6882 4.6964 12.9409 H 1 RES1 0.0000 373 H18B_10 -11.6781 6.2696 12.6548 H 1 RES1 0.0000 374 C19_10 -10.6686 8.1589 14.5294 C.3 1 RES1 0.0000 375 H19_10 -10.1308 8.5940 15.2535 H 1 RES1 0.0000 376 C20_10 -9.5705 7.7756 13.5891 C.3 1 RES1 0.0000 377 H20A_10 -9.0413 7.0362 13.9746 H 1 RES1 0.0000 378 H20B_10 -9.9608 7.4649 12.7307 H 1 RES1 0.0000 379 C21_10 -8.6769 8.9628 13.3322 C.3 1 RES1 0.0000 380 H21A_10 -8.3064 9.2951 14.1848 H 1 RES1 0.0000 381 H21B_10 -7.9239 8.6960 12.7482 H 1 RES1 0.0000 382 C22_10 -9.4846 10.0390 12.6665 C.3 1 RES1 0.0000 383 H22A_10 -9.8265 9.7085 11.7963 H 1 RES1 0.0000 384 H22B_10 -8.9070 10.8229 12.4913 H 1 RES1 0.0000 385 C23_10 -10.6411 10.4575 13.5249 C.3 1 RES1 0.0000 386 H23A_10 -10.2905 10.9842 14.2899 H 1 RES1 0.0000 387 H23B_10 -11.2287 11.0525 12.9993 H 1 RES1 0.0000 388 C24_10 -11.4601 9.3285 14.0622 C.3 1 RES1 0.0000 389 H24A_10 -12.0831 9.0263 13.3556 H 1 RES1 0.0000 390 H24B_10 -12.0032 9.6643 14.8213 H 1 RES1 0.0000 391 Pt_11 -12.3299 -2.3582 5.9180 Pt 1 RES1 0.0000 392 P1_12 -13.8403 -0.8064 5.5186 P.3 1 RES1 0.0000 393 P2_12 -13.6833 -3.1426 4.3915 P.3 1 RES1 0.0000 394 C0_12 -14.8800 -1.6825 4.1871 C.3 1 RES1 0.0000 395 H0A_12 -15.8112 -1.8809 4.4616 H 1 RES1 0.0000 396 H0B_12 -14.8512 -1.2541 3.2995 H 1 RES1 0.0000 397 C1_12 -15.1319 -1.4572 8.0647 C.3 1 RES1 0.0000 398 H1A_12 -14.2341 -1.7179 8.3918 H 1 RES1 0.0000 399 H1B_12 -15.5492 -2.2607 7.6676 H 1 RES1 0.0000 400 C2_12 -15.9569 -1.0259 9.2385 C.3 1 RES1 0.0000 401 H2A_12 -16.1984 -1.8304 9.7641 H 1 RES1 0.0000 402 H2B_12 -15.3961 -0.4503 9.8167 H 1 RES1 0.0000 403 C3_12 -17.2056 -0.2774 8.9115 C.3 1 RES1 0.0000 404 H3A_12 -17.5634 0.1201 9.7407 H 1 RES1 0.0000 405 H3B_12 -17.8783 -0.9247 8.5669 H 1 RES1 0.0000 406 C4_12 -16.9815 0.7870 7.8895 C.3 1 RES1 0.0000 407 H4A_12 -17.8438 1.1788 7.6267 H 1 RES1 0.0000 408 H4B_12 -16.4225 1.5068 8.2866 H 1 RES1 0.0000 409 C5_12 -16.2824 0.2372 6.6749 C.3 1 RES1 0.0000 410 H5A_12 -16.1203 0.9758 6.0325 H 1 RES1 0.0000 411 H5B_12 -16.8760 -0.4209 6.2310 H 1 RES1 0.0000 412 C6_12 -14.9730 -0.4215 7.0019 C.3 1 RES1 0.0000 413 H6_12 -14.4744 0.3019 7.4807 H 1 RES1 0.0000 414 C7_12 -13.2674 0.8569 4.7886 C.3 1 RES1 0.0000 415 H7_12 -12.8758 1.3303 5.5770 H 1 RES1 0.0000 416 C8_12 -12.1261 0.7878 3.8192 C.3 1 RES1 0.0000 417 H8A_12 -12.4526 0.4418 2.9549 H 1 RES1 0.0000 418 H8B_12 -11.4456 0.1573 4.1638 H 1 RES1 0.0000 419 C9_12 -11.4945 2.1462 3.6148 C.3 1 RES1 0.0000 420 H9A_12 -10.9694 2.3725 4.4207 H 1 RES1 0.0000 421 H9B_12 -10.8679 2.0863 2.8498 H 1 RES1 0.0000 422 C10_12 -12.5012 3.2173 3.3520 C.3 1 RES1 0.0000 423 H10A_12 -12.2478 3.7188 2.5403 H 1 RES1 0.0000 424 H10B_12 -12.5105 3.8524 4.1112 H 1 RES1 0.0000 425 C11_12 -13.9042 2.6701 3.1710 C.3 1 RES1 0.0000 426 H11A_12 -14.5265 3.4164 3.0717 H 1 RES1 0.0000 427 H11B_12 -13.9177 2.1356 2.3359 H 1 RES1 0.0000 428 C12_12 -14.3329 1.8033 4.3098 C.3 1 RES1 0.0000 429 H12A_12 -15.1262 1.2782 4.0294 H 1 RES1 0.0000 430 H12B_12 -14.6085 2.3815 5.0689 H 1 RES1 0.0000 431 C13_12 -12.7876 -3.4474 2.7389 C.3 1 RES1 0.0000 432 H13_12 -13.5398 -3.6622 2.1140 H 1 RES1 0.0000 433 C14_12 -11.9434 -4.6816 2.6629 C.3 1 RES1 0.0000 434 H14A_12 -12.4688 -5.4618 2.9491 H 1 RES1 0.0000 435 H14B_12 -11.1763 -4.5847 3.2995 H 1 RES1 0.0000 436 C15_12 -11.3834 -4.9473 1.3023 C.3 1 RES1 0.0000 437 H15A_12 -12.1188 -5.2464 0.7125 H 1 RES1 0.0000 438 H15B_12 -10.7185 -5.6774 1.3607 H 1 RES1 0.0000 439 C16_12 -10.7368 -3.7227 0.7066 C.3 1 RES1 0.0000 440 H16A_12 -10.4690 -3.9335 -0.2219 H 1 RES1 0.0000 441 H16B_12 -9.9124 -3.5235 1.2205 H 1 RES1 0.0000 442 C17_12 -11.6426 -2.5358 0.7183 C.3 1 RES1 0.0000 443 H17A_12 -11.1476 -1.7473 0.3796 H 1 RES1 0.0000 444 H17B_12 -12.4082 -2.7015 0.1110 H 1 RES1 0.0000 445 C18_12 -12.1499 -2.2534 2.0906 C.3 1 RES1 0.0000 446 H18A_12 -12.8111 -1.5185 2.0439 H 1 RES1 0.0000 447 H18B_12 -11.3961 -1.9459 2.6571 H 1 RES1 0.0000 448 C19_12 -14.6602 -4.6894 4.8587 C.3 1 RES1 0.0000 449 H19_12 -13.8938 -5.3268 4.7711 H 1 RES1 0.0000 450 C20_12 -15.5063 -5.3187 3.8075 C.3 1 RES1 0.0000 451 H20A_12 -16.2647 -4.7155 3.6148 H 1 RES1 0.0000 452 H20B_12 -14.9720 -5.3989 2.9783 H 1 RES1 0.0000 453 C21_12 -16.0540 -6.6644 4.1521 C.3 1 RES1 0.0000 454 H21A_12 -16.7895 -6.8852 3.5272 H 1 RES1 0.0000 455 H21B_12 -15.3413 -7.3432 4.0294 H 1 RES1 0.0000 456 C22_12 -16.5701 -6.7302 5.5653 C.3 1 RES1 0.0000 457 H22A_12 -16.8851 -7.6422 5.7639 H 1 RES1 0.0000 458 H22B_12 -17.3289 -6.1065 5.6704 H 1 RES1 0.0000 459 C23_12 -15.4757 -6.3560 6.5347 C.3 1 RES1 0.0000 460 H23A_12 -14.7462 -7.0138 6.4705 H 1 RES1 0.0000 461 H23B_12 -15.8465 -6.3989 7.4574 H 1 RES1 0.0000 462 C24_12 -14.9581 -4.9832 6.2778 C.3 1 RES1 0.0000 463 H24A_12 -15.6053 -4.3198 6.6106 H 1 RES1 0.0000 464 H24B_12 -14.1151 -4.8661 6.8033 H 1 RES1 0.0000 465 C1_13 -6.2857 -8.3898 6.3770 C.2 1 RES1 0.0000 466 N1_13 -10.9074 -3.8828 6.0208 N.2 1 RES1 0.0000 467 O1_13 -4.2687 -6.9832 5.7872 O.3 1 RES1 0.0000 468 C2_13 -6.9742 -9.6058 6.5347 C.2 1 RES1 0.0000 469 H2_13 -6.4786 -10.4131 6.6165 H 1 RES1 0.0000 470 N2_13 -10.5046 -13.2050 7.4399 N.2 1 RES1 0.0000 471 O2_13 -4.3867 -9.3801 5.1682 O.3 1 RES1 0.0000 472 C3_13 -7.0308 -7.2077 6.4062 C.2 1 RES1 0.0000 473 H3_13 -6.5879 -6.3711 6.3303 H 1 RES1 0.0000 474 N3_13 -2.7009 -8.3631 7.5567 N.2 1 RES1 0.0000 475 O3_13 -4.0438 -8.6935 7.5391 O.3 1 RES1 0.0000 476 C4_13 -8.4166 -7.2423 6.5405 C.2 1 RES1 0.0000 477 N4_13 -3.0657 -9.7979 5.1565 N.2 1 RES1 0.0000 478 C5_13 -9.0912 -8.4554 6.6106 C.2 1 RES1 0.0000 479 H5_13 -10.0364 -8.4745 6.6807 H 1 RES1 0.0000 480 N5_13 -3.0166 -6.9909 5.1565 N.2 1 RES1 0.0000 481 C6_13 -8.3661 -9.6513 6.5697 C.2 1 RES1 0.0000 482 C7_13 -9.8677 -4.0331 5.2032 C.2 1 RES1 0.0000 483 H7_13 -9.7074 -3.3981 4.5200 H 1 RES1 0.0000 484 C8_13 -9.0138 -5.1354 5.3609 C.2 1 RES1 0.0000 485 H8_13 -8.3027 -5.2915 4.7477 H 1 RES1 0.0000 486 C9_13 -9.2371 -5.9958 6.4354 C.2 1 RES1 0.0000 487 C10_13 -10.4086 -5.8814 7.1946 C.2 1 RES1 0.0000 488 H10_13 -10.6654 -6.5578 7.8136 H 1 RES1 0.0000 489 C11_13 -11.1840 -4.7247 7.0019 C.2 1 RES1 0.0000 490 H11_13 -11.9150 -4.5470 7.5800 H 1 RES1 0.0000 491 C12_13 -9.4903 -13.2781 6.5989 C.2 1 RES1 0.0000 492 H12_13 -9.2643 -14.1151 6.2077 H 1 RES1 0.0000 493 C13_13 -8.7447 -12.1281 6.2661 C.2 1 RES1 0.0000 494 H13_13 -8.0090 -12.1783 5.6704 H 1 RES1 0.0000 495 C14_13 -9.1187 -10.9156 6.8501 C.2 1 RES1 0.0000 496 C15_13 -10.1699 -10.8867 7.7727 C.2 1 RES1 0.0000 497 H15_13 -10.3914 -10.0838 8.2341 H 1 RES1 0.0000 498 C16_13 -10.8890 -12.0644 7.9946 C.2 1 RES1 0.0000 499 H16_13 -11.6585 -12.0496 8.5553 H 1 RES1 0.0000 500 C31_13 -2.0431 -7.9600 8.5669 C.2 1 RES1 0.0000 501 C32_13 -2.6970 -7.4305 9.8050 C.3 1 RES1 0.0000 502 H32A_13 -2.0223 -7.1002 10.4415 H 1 RES1 0.0000 503 H32B_13 -3.3211 -6.7011 9.5772 H 1 RES1 0.0000 504 C33_13 -3.4485 -8.5983 10.4006 C.3 1 RES1 0.0000 505 H33A_13 -3.9027 -8.3014 11.2182 H 1 RES1 0.0000 506 H33B_13 -4.1128 -8.9190 9.7583 H 1 RES1 0.0000 507 H33C_13 -2.8199 -9.3139 10.6109 H 1 RES1 0.0000 508 C41_13 -2.7713 -10.9684 4.6309 C.2 1 RES1 0.0000 509 C42_13 -3.8897 -11.9560 4.4849 C.3 1 RES1 0.0000 510 H42A_13 -3.6838 -12.6006 3.7608 H 1 RES1 0.0000 511 H42B_13 -4.7309 -11.4864 4.2514 H 1 RES1 0.0000 512 C43_13 -4.0348 -12.6785 5.7931 C.3 1 RES1 0.0000 513 H43A_13 -4.7634 -13.3297 5.7230 H 1 RES1 0.0000 514 H43B_13 -3.1978 -13.1338 6.0033 H 1 RES1 0.0000 515 H43C_13 -4.2439 -12.0261 6.4997 H 1 RES1 0.0000 516 C51_13 -2.8105 -6.1263 4.1871 C.2 1 RES1 0.0000 517 C52_13 -4.0266 -5.5637 3.5097 C.3 1 RES1 0.0000 518 H52A_13 -4.6792 -5.2351 4.1930 H 1 RES1 0.0000 519 H52B_13 -3.7776 -4.7843 2.9374 H 1 RES1 0.0000 520 C53_13 -4.6304 -6.6465 2.6805 C.3 1 RES1 0.0000 521 H53A_13 -5.4404 -6.2835 2.2308 H 1 RES1 0.0000 522 H53B_13 -3.9951 -6.9349 2.0147 H 1 RES1 0.0000 523 H53C_13 -4.8928 -7.3845 3.2586 H 1 RES1 0.0000 524 B_13 -4.6888 -8.3534 6.2252 B 1 RES1 0.0000 525 Fe_14 -1.7947 -8.4304 5.8047 Fe 1 RES1 0.0000 526 C1_15 2.7480 -8.4729 4.9872 C.2 1 RES1 0.0000 527 N1_15 6.8077 -3.7355 3.2761 N.2 1 RES1 0.0000 528 O1_15 0.6148 -7.1673 4.6251 O.3 1 RES1 0.0000 529 C2_15 3.4779 -9.6602 5.1273 C.2 1 RES1 0.0000 530 H2_15 3.0271 -10.4578 5.3784 H 1 RES1 0.0000 531 N2_15 7.0417 -13.3012 5.4719 N.2 1 RES1 0.0000 532 O2_15 0.5924 -9.6416 4.5317 O.3 1 RES1 0.0000 533 C3_15 3.4432 -7.3169 4.6251 C.2 1 RES1 0.0000 534 H3_15 2.9630 -6.5013 4.5200 H 1 RES1 0.0000 535 N3_15 -0.3405 -8.5830 7.1596 N.2 1 RES1 0.0000 536 O3_15 0.9577 -8.4625 6.7099 O.3 1 RES1 0.0000 537 C4_15 4.8204 -7.3279 4.4090 C.2 1 RES1 0.0000 538 N4_15 -0.8010 -9.6816 4.6017 N.2 1 RES1 0.0000 539 C5_15 5.5314 -8.5014 4.6485 C.2 1 RES1 0.0000 540 H5_15 6.4826 -8.4906 4.6309 H 1 RES1 0.0000 541 N5_15 -0.7152 -6.9246 4.9755 N.2 1 RES1 0.0000 542 C6_15 4.8529 -9.6975 4.9054 C.2 1 RES1 0.0000 543 C7_15 5.5194 -3.9069 2.9608 C.2 1 RES1 0.0000 544 H7_15 5.0588 -3.2196 2.4994 H 1 RES1 0.0000 545 C8_15 4.8275 -5.0821 3.3053 C.2 1 RES1 0.0000 546 H8_15 3.9144 -5.2020 3.0717 H 1 RES1 0.0000 547 C9_15 5.5260 -6.0720 4.0061 C.2 1 RES1 0.0000 548 C10_15 6.8948 -5.9060 4.2572 C.2 1 RES1 0.0000 549 H10_15 7.4086 -6.6065 4.6426 H 1 RES1 0.0000 550 C11_15 7.4888 -4.6770 3.9126 C.2 1 RES1 0.0000 551 H11_15 8.3963 -4.5212 4.1462 H 1 RES1 0.0000 552 C12_15 5.8170 -13.3776 4.9872 C.2 1 RES1 0.0000 553 H12_15 5.4402 -14.2247 4.7828 H 1 RES1 0.0000 554 C13_15 5.0584 -12.2030 4.7653 C.2 1 RES1 0.0000 555 H13_15 4.1696 -12.2595 4.4382 H 1 RES1 0.0000 556 C14_15 5.6356 -10.9656 5.0456 C.2 1 RES1 0.0000 557 C15_15 6.9266 -10.9376 5.5945 C.2 1 RES1 0.0000 558 H15_15 7.3295 -10.1121 5.8339 H 1 RES1 0.0000 559 C16_15 7.6104 -12.1495 5.7697 C.2 1 RES1 0.0000 560 H16_15 8.4934 -12.1396 6.1142 H 1 RES1 0.0000 561 C31_15 -0.6756 -8.1003 8.2983 C.2 1 RES1 0.0000 562 C32_15 0.3796 -7.7691 9.3086 C.3 1 RES1 0.0000 563 H32A_15 0.0108 -7.8054 10.2254 H 1 RES1 0.0000 564 H32B_15 1.1352 -8.4089 9.2444 H 1 RES1 0.0000 565 C33_15 0.8449 -6.3886 8.9757 C.3 1 RES1 0.0000 566 H33A_15 1.5353 -6.1086 9.6064 H 1 RES1 0.0000 567 H33B_15 1.1979 -6.3649 8.0647 H 1 RES1 0.0000 568 H33C_15 0.0812 -5.7632 9.0341 H 1 RES1 0.0000 569 C41_15 -1.4059 -10.8256 4.3448 C.2 1 RES1 0.0000 570 C42_15 -0.5528 -11.9105 3.7433 C.3 1 RES1 0.0000 571 H42A_15 0.4028 -11.6639 3.7900 H 1 RES1 0.0000 572 H42B_15 -0.7986 -12.0502 2.7914 H 1 RES1 0.0000 573 C43_15 -0.8197 -13.1494 4.5375 C.3 1 RES1 0.0000 574 H43A_15 -0.2815 -13.8942 4.1813 H 1 RES1 0.0000 575 H43B_15 -0.5745 -13.0026 5.4777 H 1 RES1 0.0000 576 H43C_15 -1.7708 -13.3864 4.4849 H 1 RES1 0.0000 577 C51_15 -1.4159 -6.1401 4.1754 C.2 1 RES1 0.0000 578 C52_15 -0.6333 -5.2659 3.2294 C.3 1 RES1 0.0000 579 H52A_15 0.2875 -5.1525 3.5564 H 1 RES1 0.0000 580 H52B_15 -1.0663 -4.3819 3.1593 H 1 RES1 0.0000 581 C53_15 -0.6408 -5.9684 1.8979 C.3 1 RES1 0.0000 582 H53A_15 -0.1339 -5.4124 1.2556 H 1 RES1 0.0000 583 H53B_15 -0.2073 -6.8362 1.9855 H 1 RES1 0.0000 584 H53C_15 -1.5573 -6.0686 1.5884 H 1 RES1 0.0000 585 B_15 1.1574 -8.4314 5.2266 B 1 RES1 0.0000 586 Pt_16 7.7192 -1.9135 2.6624 Pt 1 RES1 0.0000 587 P1_17 8.7844 -2.4232 0.8176 P.3 1 RES1 0.0000 588 P2_17 8.5067 -0.0499 1.8746 P.3 1 RES1 0.0000 589 C0_17 9.2974 -0.6743 0.2745 C.3 1 RES1 0.0000 590 H0A_17 10.2759 -0.5343 0.2219 H 1 RES1 0.0000 591 H0B_17 8.8477 -0.3572 -0.5489 H 1 RES1 0.0000 592 C1_17 10.1631 -4.9406 1.4424 C.3 1 RES1 0.0000 593 H1A_17 9.9071 -5.4350 0.6249 H 1 RES1 0.0000 594 H1B_17 9.4241 -5.0400 2.0965 H 1 RES1 0.0000 595 C2_17 11.4156 -5.5494 2.0147 C.3 1 RES1 0.0000 596 H2A_17 11.5054 -5.2464 2.9491 H 1 RES1 0.0000 597 H2B_17 11.3006 -6.5351 2.0264 H 1 RES1 0.0000 598 C3_17 12.6515 -5.2130 1.2672 C.3 1 RES1 0.0000 599 H3A_17 12.6657 -5.7315 0.4205 H 1 RES1 0.0000 600 H3B_17 13.4314 -5.4981 1.8045 H 1 RES1 0.0000 601 C4_17 12.7951 -3.7769 0.9460 C.3 1 RES1 0.0000 602 H4A_17 13.5637 -3.6398 0.3329 H 1 RES1 0.0000 603 H4B_17 12.9745 -3.2597 1.7753 H 1 RES1 0.0000 604 C5_17 11.5469 -3.2167 0.2920 C.3 1 RES1 0.0000 605 H5A_17 11.6438 -2.2376 0.1694 H 1 RES1 0.0000 606 H5B_17 11.4424 -3.6250 -0.6073 H 1 RES1 0.0000 607 C6_17 10.3150 -3.4937 1.1037 C.3 1 RES1 0.0000 608 H6_17 10.6096 -3.1381 1.9914 H 1 RES1 0.0000 609 C7_17 7.7447 -3.1695 -0.5840 C.3 1 RES1 0.0000 610 H7_17 7.7748 -4.1575 -0.4321 H 1 RES1 0.0000 611 C8_17 8.3025 -2.9720 -1.9680 C.3 1 RES1 0.0000 612 H8A_17 8.2595 -2.0116 -2.2016 H 1 RES1 0.0000 613 H8B_17 9.2522 -3.2491 -1.9797 H 1 RES1 0.0000 614 C9_17 7.5413 -3.7664 -2.9841 C.3 1 RES1 0.0000 615 H9A_17 7.8372 -3.4835 -3.8834 H 1 RES1 0.0000 616 H9B_17 7.7734 -4.7174 -2.8732 H 1 RES1 0.0000 617 C10_17 6.0577 -3.6251 -2.9024 C.3 1 RES1 0.0000 618 H10A_17 5.6421 -4.3390 -3.4455 H 1 RES1 0.0000 619 H10B_17 5.8002 -2.7552 -3.3053 H 1 RES1 0.0000 620 C11_17 5.5105 -3.6916 -1.5125 C.3 1 RES1 0.0000 621 H11A_17 4.5618 -3.4091 -1.5242 H 1 RES1 0.0000 622 H11B_17 5.5488 -4.6274 -1.1972 H 1 RES1 0.0000 623 C12_17 6.2724 -2.8212 -0.5665 C.3 1 RES1 0.0000 624 H12A_17 5.9162 -2.9353 0.3504 H 1 RES1 0.0000 625 H12B_17 6.1586 -1.8734 -0.8234 H 1 RES1 0.0000 626 C13_17 6.9777 0.9918 1.5183 C.3 1 RES1 0.0000 627 H13_17 6.5215 0.9764 2.4060 H 1 RES1 0.0000 628 C14_17 5.9213 0.3800 0.6482 C.3 1 RES1 0.0000 629 H14A_17 5.6667 -0.4989 1.0220 H 1 RES1 0.0000 630 H14B_17 6.3010 0.2266 -0.2569 H 1 RES1 0.0000 631 C15_17 4.6920 1.2339 0.5197 C.3 1 RES1 0.0000 632 H15A_17 4.0586 0.7726 -0.0934 H 1 RES1 0.0000 633 H15B_17 4.2629 1.2963 1.4074 H 1 RES1 0.0000 634 C16_17 4.9746 2.6041 -0.0058 C.3 1 RES1 0.0000 635 H16A_17 4.6653 2.6565 -0.9344 H 1 RES1 0.0000 636 H16B_17 4.4926 3.2551 0.5373 H 1 RES1 0.0000 637 C17_17 6.4440 2.9327 0.0292 C.3 1 RES1 0.0000 638 H17A_17 6.5529 3.9111 -0.0584 H 1 RES1 0.0000 639 H17B_17 6.8945 2.5053 -0.7417 H 1 RES1 0.0000 640 C18_17 7.1147 2.4812 1.2906 C.3 1 RES1 0.0000 641 H18A_17 8.0750 2.7152 1.2556 H 1 RES1 0.0000 642 H18B_17 6.7152 2.9625 2.0614 H 1 RES1 0.0000 643 C19_17 9.7795 0.8230 2.9432 C.3 1 RES1 0.0000 644 H19_17 9.4228 0.4544 3.8017 H 1 RES1 0.0000 645 C20_17 11.1219 0.1965 3.1009 C.3 1 RES1 0.0000 646 H20A_17 11.0286 -0.7881 3.0425 H 1 RES1 0.0000 647 H20B_17 11.7053 0.4879 2.3534 H 1 RES1 0.0000 648 C21_17 11.7783 0.5405 4.3973 C.3 1 RES1 0.0000 649 H21A_17 11.2663 0.1414 5.1448 H 1 RES1 0.0000 650 H21B_17 12.6926 0.1707 4.4149 H 1 RES1 0.0000 651 C22_17 11.8504 2.0172 4.5901 C.3 1 RES1 0.0000 652 H22A_17 12.4405 2.4224 3.9010 H 1 RES1 0.0000 653 H22B_17 12.2440 2.2262 5.4777 H 1 RES1 0.0000 654 C23_17 10.5142 2.6784 4.5025 C.3 1 RES1 0.0000 655 H23A_17 10.6298 3.6575 4.4382 H 1 RES1 0.0000 656 H23B_17 10.0152 2.5026 5.3492 H 1 RES1 0.0000 657 C24_17 9.6463 2.2370 3.3695 C.3 1 RES1 0.0000 658 H24A_17 8.7020 2.3976 3.6148 H 1 RES1 0.0000 659 H24B_17 9.8493 2.8103 2.5870 H 1 RES1 0.0000 660 Pt_18 7.6875 -15.2999 5.4392 Pt 1 RES1 0.0000 661 P1_19 8.6858 -15.4383 3.4455 P.3 1 RES1 0.0000 662 P2_19 8.6495 -17.2550 5.3317 P.3 1 RES1 0.0000 663 C0_19 9.6439 -17.0654 3.7316 C.3 1 RES1 0.0000 664 H0A_19 9.4601 -17.7656 3.0542 H 1 RES1 0.0000 665 H0B_19 10.6145 -16.9450 3.8718 H 1 RES1 0.0000 666 C1_19 6.4139 -16.1233 1.7052 C.3 1 RES1 0.0000 667 H1A_19 6.2633 -16.6996 2.4877 H 1 RES1 0.0000 668 H1B_19 6.3382 -16.6871 0.8935 H 1 RES1 0.0000 669 C2_19 5.3280 -15.1011 1.6585 C.3 1 RES1 0.0000 670 H2A_19 4.5148 -15.5377 1.3023 H 1 RES1 0.0000 671 H2B_19 5.1299 -14.8280 2.5929 H 1 RES1 0.0000 672 C3_19 5.5847 -13.8832 0.8643 C.3 1 RES1 0.0000 673 H3A_19 4.9465 -13.1726 1.1446 H 1 RES1 0.0000 674 H3B_19 5.4093 -14.0731 -0.0934 H 1 RES1 0.0000 675 C4_19 6.9789 -13.3588 1.0044 C.3 1 RES1 0.0000 676 H4A_19 7.0908 -12.9565 1.9038 H 1 RES1 0.0000 677 H4B_19 7.1260 -12.6352 0.3329 H 1 RES1 0.0000 678 C5_19 7.9978 -14.4452 0.8000 C.3 1 RES1 0.0000 679 H5A_19 8.9055 -14.0651 0.9168 H 1 RES1 0.0000 680 H5B_19 7.9287 -14.7884 -0.1226 H 1 RES1 0.0000 681 C6_19 7.8038 -15.5762 1.7695 C.3 1 RES1 0.0000 682 H6_19 8.3251 -16.3067 1.3315 H 1 RES1 0.0000 683 C7_19 9.9713 -14.0338 3.3170 C.3 1 RES1 0.0000 684 H7_19 10.3482 -13.9875 4.2455 H 1 RES1 0.0000 685 C8_19 11.1731 -14.3158 2.4702 C.3 1 RES1 0.0000 686 H8A_19 10.9119 -14.3148 1.5183 H 1 RES1 0.0000 687 H8B_19 11.5251 -15.2151 2.6921 H 1 RES1 0.0000 688 C9_19 12.2479 -13.2910 2.6921 C.3 1 RES1 0.0000 689 H9A_19 12.6299 -13.4219 3.5973 H 1 RES1 0.0000 690 H9B_19 12.9748 -13.4459 2.0381 H 1 RES1 0.0000 691 C10_19 11.7802 -11.8720 2.5695 C.3 1 RES1 0.0000 692 H10A_19 11.5953 -11.6789 1.6118 H 1 RES1 0.0000 693 H10B_19 12.4844 -11.2661 2.8790 H 1 RES1 0.0000 694 C11_19 10.5161 -11.6110 3.3579 C.3 1 RES1 0.0000 695 H11A_19 10.1808 -10.7135 3.1243 H 1 RES1 0.0000 696 H11B_19 10.7460 -11.6132 4.3214 H 1 RES1 0.0000 697 C12_19 9.4620 -12.6401 3.0892 C.3 1 RES1 0.0000 698 H12A_19 9.1548 -12.5535 2.1490 H 1 RES1 0.0000 699 H12B_19 8.6859 -12.4696 3.6791 H 1 RES1 0.0000 700 C13_19 9.8150 -17.0796 6.8150 C.3 1 RES1 0.0000 701 H13_19 9.2204 -16.7630 7.5567 H 1 RES1 0.0000 702 C14_19 10.4594 -18.3102 7.3815 C.3 1 RES1 0.0000 703 H14A_19 11.0704 -18.6962 6.7041 H 1 RES1 0.0000 704 H14B_19 9.7590 -18.9822 7.5742 H 1 RES1 0.0000 705 C15_19 11.2368 -18.0255 8.6429 C.3 1 RES1 0.0000 706 H15A_19 10.6057 -17.7478 9.3553 H 1 RES1 0.0000 707 H15B_19 11.6941 -18.8488 8.9407 H 1 RES1 0.0000 708 C16_19 12.2490 -16.9562 8.4268 C.3 1 RES1 0.0000 709 H16A_19 12.9359 -17.2763 7.8078 H 1 RES1 0.0000 710 H16B_19 12.6732 -16.7388 9.2911 H 1 RES1 0.0000 711 C17_19 11.6308 -15.6722 7.8662 C.3 1 RES1 0.0000 712 H17A_19 11.0863 -15.2515 8.5553 H 1 RES1 0.0000 713 H17B_19 12.3777 -15.0614 7.6267 H 1 RES1 0.0000 714 C18_19 10.8149 -15.9677 6.6515 C.3 1 RES1 0.0000 715 H18A_19 11.4130 -16.1778 5.8923 H 1 RES1 0.0000 716 H18B_19 10.3217 -15.1324 6.4121 H 1 RES1 0.0000 717 C19_19 7.6452 -18.8404 5.2967 C.3 1 RES1 0.0000 718 H19_19 8.0440 -19.1691 4.4382 H 1 RES1 0.0000 719 C20_19 6.2561 -18.7679 4.7594 C.3 1 RES1 0.0000 720 H20A_19 5.6767 -18.3687 5.4543 H 1 RES1 0.0000 721 H20B_19 6.2555 -18.1473 3.9827 H 1 RES1 0.0000 722 C21_19 5.6635 -20.0706 4.3273 C.3 1 RES1 0.0000 723 H21A_19 4.6785 -19.9276 4.1871 H 1 RES1 0.0000 724 H21B_19 6.0493 -20.3298 3.4630 H 1 RES1 0.0000 725 C22_19 5.8577 -21.1602 5.3317 C.3 1 RES1 0.0000 726 H22A_19 5.3382 -20.9590 6.1493 H 1 RES1 0.0000 727 H22B_19 5.5195 -22.0110 4.9580 H 1 RES1 0.0000 728 C23_19 7.2897 -21.3131 5.6879 C.3 1 RES1 0.0000 729 H23A_19 7.7702 -21.7135 4.9171 H 1 RES1 0.0000 730 H23B_19 7.3657 -21.9499 6.4471 H 1 RES1 0.0000 731 C24_19 8.0028 -20.0505 6.0734 C.3 1 RES1 0.0000 732 H24A_19 7.8195 -19.8720 7.0252 H 1 RES1 0.0000 733 H24B_19 8.9753 -20.1997 5.9799 H 1 RES1 0.0000 734 C1_20 3.0617 -15.6509 12.6314 C.2 1 RES1 0.0000 735 N1_20 7.4164 -16.8663 17.1397 N.2 1 RES1 0.0000 736 O1_20 1.1056 -14.1749 13.4782 O.3 1 RES1 0.0000 737 C2_20 3.6726 -15.4880 11.3817 C.2 1 RES1 0.0000 738 H2_20 3.1320 -15.2767 10.6284 H 1 RES1 0.0000 739 N2_20 6.9719 -15.4667 7.4048 N.2 1 RES1 0.0000 740 O2_20 0.8183 -15.6979 11.5335 O.3 1 RES1 0.0000 741 C3_20 3.9131 -15.8996 13.7235 C.2 1 RES1 0.0000 742 H3_20 3.5524 -15.8899 14.5994 H 1 RES1 0.0000 743 N3_20 -0.1393 -16.4736 14.3950 N.2 1 RES1 0.0000 744 O3_20 1.1141 -16.6015 13.8286 O.3 1 RES1 0.0000 745 C4_20 5.2693 -16.1571 13.5483 C.2 1 RES1 0.0000 746 N4_20 -0.4801 -16.1874 11.6387 N.2 1 RES1 0.0000 747 C5_20 5.8491 -15.9091 12.3161 C.2 1 RES1 0.0000 748 H5_20 6.7969 -15.9296 12.2226 H 1 RES1 0.0000 749 N5_20 -0.2593 -13.9255 13.2913 N.2 1 RES1 0.0000 750 C6_20 5.0485 -15.6222 11.2007 C.2 1 RES1 0.0000 751 C7_20 6.1526 -17.2781 17.0405 C.2 1 RES1 0.0000 752 H7_20 5.7371 -17.7096 17.7821 H 1 RES1 0.0000 753 C8_20 5.4279 -17.0768 15.8550 C.2 1 RES1 0.0000 754 H8_20 4.5088 -17.3079 15.8024 H 1 RES1 0.0000 755 C9_20 6.0929 -16.5247 14.7513 C.2 1 RES1 0.0000 756 C10_20 7.3777 -16.0003 14.9206 C.2 1 RES1 0.0000 757 H10_20 7.7919 -15.4850 14.2374 H 1 RES1 0.0000 758 C11_20 8.0324 -16.2644 16.1353 C.2 1 RES1 0.0000 759 H11_20 8.9403 -16.0052 16.2346 H 1 RES1 0.0000 760 C12_20 5.7955 -16.0652 7.4924 C.2 1 RES1 0.0000 761 H12_20 5.3977 -16.4411 6.7157 H 1 RES1 0.0000 762 C13_20 5.1310 -16.1521 8.7305 C.2 1 RES1 0.0000 763 H13_20 4.3028 -16.6117 8.8064 H 1 RES1 0.0000 764 C14_20 5.7051 -15.5485 9.8575 C.2 1 RES1 0.0000 765 C15_20 6.9789 -14.9848 9.7291 C.2 1 RES1 0.0000 766 H15_20 7.4224 -14.6125 10.4824 H 1 RES1 0.0000 767 C16_20 7.5905 -14.9853 8.4677 C.2 1 RES1 0.0000 768 H16_20 8.4656 -14.6257 8.3742 H 1 RES1 0.0000 769 C31_20 -0.4398 -17.0616 15.4988 C.2 1 RES1 0.0000 770 C32_20 0.7137 -17.5810 16.3397 C.3 1 RES1 0.0000 771 H32A_20 0.3755 -18.2022 17.0346 H 1 RES1 0.0000 772 H32B_20 1.3764 -18.0267 15.7791 H 1 RES1 0.0000 773 C33_20 1.2652 -16.3290 16.9762 C.3 1 RES1 0.0000 774 H33A_20 2.0346 -16.5846 17.5485 H 1 RES1 0.0000 775 H33B_20 1.5830 -15.7221 16.2754 H 1 RES1 0.0000 776 H33C_20 0.5890 -15.8964 17.5193 H 1 RES1 0.0000 777 C41_20 -1.1354 -16.6653 10.5992 C.2 1 RES1 0.0000 778 C42_20 -0.2834 -17.0265 9.4137 C.3 1 RES1 0.0000 779 H42A_20 0.6228 -17.2878 9.7174 H 1 RES1 0.0000 780 H42B_20 -0.2008 -16.2496 8.8064 H 1 RES1 0.0000 781 C43_20 -0.9287 -18.1715 8.6954 C.3 1 RES1 0.0000 782 H43A_20 -0.3839 -18.4187 7.9187 H 1 RES1 0.0000 783 H43B_20 -1.0043 -18.9394 9.3028 H 1 RES1 0.0000 784 H43C_20 -1.8235 -17.9072 8.3918 H 1 RES1 0.0000 785 C51_20 -0.7435 -12.7390 13.6008 C.2 1 RES1 0.0000 786 C52_20 0.2789 -11.6401 13.7410 C.3 1 RES1 0.0000 787 H52A_20 1.1797 -11.9820 13.5132 H 1 RES1 0.0000 788 H52B_20 0.0660 -10.8948 13.1220 H 1 RES1 0.0000 789 C53_20 0.2615 -11.1463 15.1542 C.3 1 RES1 0.0000 790 H53A_20 0.9117 -10.4400 15.2710 H 1 RES1 0.0000 791 H53B_20 -0.6413 -10.8146 15.3644 H 1 RES1 0.0000 792 H53C_20 0.4687 -11.8987 15.7557 H 1 RES1 0.0000 793 B_20 1.4865 -15.4957 12.8709 B 1 RES1 0.0000 794 Fe_21 -1.4764 -15.5498 13.2563 Fe 1 RES1 0.0000 795 C1_22 -6.0074 -15.5602 13.7702 C.2 1 RES1 0.0000 796 N1_22 -9.7416 -16.0974 19.0260 N.2 1 RES1 0.0000 797 O1_22 -4.0078 -14.1446 13.1804 O.3 1 RES1 0.0000 798 C2_22 -6.8726 -15.3684 12.6781 C.2 1 RES1 0.0000 799 H2_22 -6.4982 -15.1884 11.8197 H 1 RES1 0.0000 800 N2_22 -10.9058 -14.6947 9.5539 N.2 1 RES1 0.0000 801 O2_22 -4.0816 -16.5392 12.5088 O.3 1 RES1 0.0000 802 C3_22 -6.5833 -15.7602 15.0316 C.2 1 RES1 0.0000 803 H3_22 -6.0231 -15.8290 15.7966 H 1 RES1 0.0000 804 N3_22 -2.4836 -16.4242 14.7337 N.2 1 RES1 0.0000 805 O3_22 -3.7712 -15.9178 14.8739 O.3 1 RES1 0.0000 806 C4_22 -7.9689 -15.8613 15.1717 C.2 1 RES1 0.0000 807 N4_22 -2.8006 -16.3541 11.9832 N.2 1 RES1 0.0000 808 C5_22 -8.7826 -15.5719 14.0914 C.2 1 RES1 0.0000 809 H5_22 -9.7145 -15.4688 14.2257 H 1 RES1 0.0000 810 N5_22 -2.6465 -13.9529 13.4140 N.2 1 RES1 0.0000 811 C6_22 -8.2539 -15.4323 12.8066 C.2 1 RES1 0.0000 812 C7_22 -8.7000 -16.8919 18.7457 C.2 1 RES1 0.0000 813 H7_22 -8.3715 -17.4886 19.4056 H 1 RES1 0.0000 814 C8_22 -8.0949 -16.8498 17.4784 C.2 1 RES1 0.0000 815 H8_22 -7.3436 -17.3922 17.2799 H 1 RES1 0.0000 816 C9_22 -8.6240 -15.9918 16.5149 C.2 1 RES1 0.0000 817 C10_22 -9.6779 -15.1315 16.8536 C.2 1 RES1 0.0000 818 H10_22 -10.0145 -14.5024 16.2287 H 1 RES1 0.0000 819 C11_22 -10.2140 -15.2298 18.1442 C.2 1 RES1 0.0000 820 H11_22 -10.9337 -14.6628 18.3953 H 1 RES1 0.0000 821 C12_22 -11.3054 -14.3819 10.7744 C.2 1 RES1 0.0000 822 H12_22 -12.1632 -13.9915 10.9087 H 1 RES1 0.0000 823 C13_22 -10.4649 -14.6251 11.8723 C.2 1 RES1 0.0000 824 H13_22 -10.7577 -14.4185 12.7541 H 1 RES1 0.0000 825 C14_22 -9.1919 -15.1693 11.6620 C.2 1 RES1 0.0000 826 C15_22 -8.8457 -15.5971 10.3656 C.2 1 RES1 0.0000 827 H15_22 -8.0502 -16.0713 10.2021 H 1 RES1 0.0000 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0.0000 847 C52_22 -3.1871 -11.7104 14.0213 C.3 1 RES1 0.0000 848 H52A_22 -4.0416 -12.1274 14.2958 H 1 RES1 0.0000 849 H52B_22 -2.8640 -11.1329 14.7571 H 1 RES1 0.0000 850 C53_22 -3.3815 -10.9047 12.7774 C.3 1 RES1 0.0000 851 H53A_22 -4.0402 -10.2037 12.9468 H 1 RES1 0.0000 852 H53B_22 -2.5280 -10.5009 12.5146 H 1 RES1 0.0000 853 H53C_22 -3.7013 -11.4900 12.0591 H 1 RES1 0.0000 854 B_22 -4.4192 -15.5346 13.5775 B 1 RES1 0.0000 855 Pt_23 -12.0008 -14.6399 7.7780 Pt 1 RES1 0.0000 856 P1_24 -13.3618 -14.4146 6.0033 P.3 1 RES1 0.0000 857 P2_24 -13.8403 -15.9288 8.0647 P.3 1 RES1 0.0000 858 C0_24 -14.7249 -15.6747 6.3887 C.3 1 RES1 0.0000 859 H0A_24 -14.7238 -16.4706 5.7989 H 1 RES1 0.0000 860 H0B_24 -15.6317 -15.2844 6.4646 H 1 RES1 0.0000 861 C1_24 -13.8483 -11.9470 4.4849 C.3 1 RES1 0.0000 862 H1A_24 -13.7636 -12.5318 3.7024 H 1 RES1 0.0000 863 H1B_24 -12.9653 -11.5208 4.6485 H 1 RES1 0.0000 864 C2_24 -14.8431 -10.8365 4.1579 C.3 1 RES1 0.0000 865 H2A_24 -14.4339 -10.2493 3.4747 H 1 RES1 0.0000 866 H2B_24 -15.6410 -11.2570 3.7608 H 1 RES1 0.0000 867 C3_24 -15.2417 -10.0329 5.3492 C.3 1 RES1 0.0000 868 H3A_24 -15.9635 -9.4173 5.0923 H 1 RES1 0.0000 869 H3B_24 -14.4610 -9.4851 5.6412 H 1 RES1 0.0000 870 C4_24 -15.6931 -10.8938 6.4880 C.3 1 RES1 0.0000 871 H4A_24 -16.5271 -11.3501 6.2369 H 1 RES1 0.0000 872 H4B_24 -15.8697 -10.3216 7.2764 H 1 RES1 0.0000 873 C5_24 -14.6602 -11.9241 6.8501 C.3 1 RES1 0.0000 874 H5A_24 -13.8536 -11.4689 7.2296 H 1 RES1 0.0000 875 H5B_24 -15.0167 -12.5220 7.5508 H 1 RES1 0.0000 876 C6_24 -14.2274 -12.7504 5.6763 C.3 1 RES1 0.0000 877 H6_24 -15.1196 -13.0816 5.3726 H 1 RES1 0.0000 878 C7_24 -12.5028 -14.9510 4.3915 C.3 1 RES1 0.0000 879 H7_24 -13.2341 -14.8761 3.7141 H 1 RES1 0.0000 880 C8_24 -12.0966 -16.3922 4.2922 C.3 1 RES1 0.0000 881 H8A_24 -12.8391 -16.9629 4.6076 H 1 RES1 0.0000 882 H8B_24 -11.3174 -16.5533 4.8762 H 1 RES1 0.0000 883 C9_24 -11.7525 -16.7513 2.8790 C.3 1 RES1 0.0000 884 H9A_24 -11.3662 -17.6790 2.8790 H 1 RES1 0.0000 885 H9B_24 -12.5700 -16.7769 2.3359 H 1 RES1 0.0000 886 C10_24 -10.7583 -15.8188 2.2425 C.3 1 RES1 0.0000 887 H10A_24 -10.6897 -16.0470 1.2789 H 1 RES1 0.0000 888 H10B_24 -9.8658 -15.9735 2.6454 H 1 RES1 0.0000 889 C11_24 -11.1434 -14.3978 2.3943 C.3 1 RES1 0.0000 890 H11A_24 -10.4078 -13.8164 2.0614 H 1 RES1 0.0000 891 H11B_24 -11.9459 -14.2044 1.8454 H 1 RES1 0.0000 892 C12_24 -11.4278 -14.0561 3.8309 C.3 1 RES1 0.0000 893 H12A_24 -11.7150 -13.1110 3.8951 H 1 RES1 0.0000 894 H12B_24 -10.5985 -14.1640 4.3623 H 1 RES1 0.0000 895 C13_24 -13.4110 -17.7649 8.1698 C.3 1 RES1 0.0000 896 H13_24 -13.0155 -17.8273 7.2530 H 1 RES1 0.0000 897 C14_24 -12.2086 -18.2868 8.8881 C.3 1 RES1 0.0000 898 H14A_24 -12.4698 -18.5566 9.8050 H 1 RES1 0.0000 899 H14B_24 -11.5314 -17.5728 8.9582 H 1 RES1 0.0000 900 C15_24 -11.6418 -19.4730 8.1640 C.3 1 RES1 0.0000 901 H15A_24 -11.2183 -19.1595 7.3172 H 1 RES1 0.0000 902 H15B_24 -10.9211 -19.8736 8.7188 H 1 RES1 0.0000 903 C16_24 -12.6744 -20.5015 7.8603 C.3 1 RES1 0.0000 904 H16A_24 -12.9253 -20.9491 8.7013 H 1 RES1 0.0000 905 H16B_24 -12.2705 -21.1861 7.2647 H 1 RES1 0.0000 906 C17_24 -13.9238 -19.9742 7.2063 C.3 1 RES1 0.0000 907 H17A_24 -14.5944 -20.6918 7.1712 H 1 RES1 0.0000 908 H17B_24 -13.7055 -19.7086 6.2719 H 1 RES1 0.0000 909 C18_24 -14.4759 -18.7927 7.9479 C.3 1 RES1 0.0000 910 H18A_24 -15.2169 -18.3952 7.4224 H 1 RES1 0.0000 911 H18B_24 -14.8385 -19.0907 8.8181 H 1 RES1 0.0000 912 C19_24 -15.1482 -15.5608 9.4196 C.3 1 RES1 0.0000 913 H19_24 -15.9747 -15.4805 8.8648 H 1 RES1 0.0000 914 C20_24 -15.1006 -14.2173 10.0386 C.3 1 RES1 0.0000 915 H20A_24 -14.1683 -14.0417 10.3130 H 1 RES1 0.0000 916 H20B_24 -15.3317 -13.5535 9.3378 H 1 RES1 0.0000 917 C21_24 -15.9643 -13.9571 11.2182 C.3 1 RES1 0.0000 918 H21A_24 -16.9026 -13.8114 10.9029 H 1 RES1 0.0000 919 H21B_24 -15.6735 -13.1291 11.6679 H 1 RES1 0.0000 920 C22_24 -15.9695 -15.0959 12.2051 C.3 1 RES1 0.0000 921 H22A_24 -16.5970 -14.9037 12.9351 H 1 RES1 0.0000 922 H22B_24 -15.0546 -15.1745 12.5964 H 1 RES1 0.0000 923 C23_24 -16.3284 -16.3736 11.5277 C.3 1 RES1 0.0000 924 H23A_24 -16.2337 -17.1068 12.1759 H 1 RES1 0.0000 925 H23B_24 -17.2843 -16.3176 11.2708 H 1 RES1 0.0000 926 C24_24 -15.5262 -16.6930 10.3130 C.3 1 RES1 0.0000 927 H24A_24 -14.6903 -17.1387 10.6050 H 1 RES1 0.0000 928 H24B_24 -16.0349 -17.3506 9.7758 H 1 RES1 0.0000 929 Pt_25 -10.5187 -16.4355 20.9589 Pt 1 RES1 0.0000 930 P1_26 -11.4318 -16.7286 22.9094 P.3 1 RES1 0.0000 931 P2_26 -11.6934 -18.2248 20.7896 P.3 1 RES1 0.0000 932 C0_26 -12.5023 -18.2240 22.5182 C.3 1 RES1 0.0000 933 H0A_26 -13.4749 -18.0349 22.5123 H 1 RES1 0.0000 934 H0B_26 -12.2974 -19.0219 23.0671 H 1 RES1 0.0000 935 C1_26 -10.3707 -18.2792 25.1519 C.3 1 RES1 0.0000 936 H1A_26 -10.7691 -19.0302 24.6497 H 1 RES1 0.0000 937 H1B_26 -11.0180 -18.0027 25.8468 H 1 RES1 0.0000 938 C2_26 -9.1057 -18.7515 25.8235 C.3 1 RES1 0.0000 939 H2A_26 -9.3281 -19.4506 26.4892 H 1 RES1 0.0000 940 H2B_26 -8.5063 -19.1524 25.1461 H 1 RES1 0.0000 941 C3_26 -8.4031 -17.6263 26.5009 C.3 1 RES1 0.0000 942 H3A_26 -7.5596 -17.9654 26.8921 H 1 RES1 0.0000 943 H3B_26 -8.9705 -17.2983 27.2484 H 1 RES1 0.0000 944 C4_26 -8.0861 -16.4828 25.6132 C.3 1 RES1 0.0000 945 H4A_26 -7.8821 -15.6929 26.1739 H 1 RES1 0.0000 946 H4B_26 -7.2633 -16.7034 25.1052 H 1 RES1 0.0000 947 C5_26 -9.1461 -16.0963 24.6380 C.3 1 RES1 0.0000 948 H5A_26 -9.6483 -15.3329 25.0176 H 1 RES1 0.0000 949 H5B_26 -8.6974 -15.7702 23.8146 H 1 RES1 0.0000 950 C6_26 -10.1362 -17.1476 24.2351 C.3 1 RES1 0.0000 951 H6_26 -9.5210 -17.6383 23.6160 H 1 RES1 0.0000 952 C7_26 -12.5091 -15.2744 23.4992 C.3 1 RES1 0.0000 953 H7_26 -13.2110 -15.7359 24.0365 H 1 RES1 0.0000 954 C8_26 -13.3078 -14.5864 22.4422 C.3 1 RES1 0.0000 955 H8A_26 -13.8928 -15.2529 21.9926 H 1 RES1 0.0000 956 H8B_26 -12.7030 -14.2093 21.7648 H 1 RES1 0.0000 957 C9_26 -14.1708 -13.4901 22.9912 C.3 1 RES1 0.0000 958 H9A_26 -14.6164 -13.0275 22.2379 H 1 RES1 0.0000 959 H9B_26 -14.8784 -13.8888 23.5576 H 1 RES1 0.0000 960 C10_26 -13.4276 -12.4743 23.8029 C.3 1 RES1 0.0000 961 H10A_26 -14.0439 -11.7948 24.1533 H 1 RES1 0.0000 962 H10B_26 -12.7521 -12.0152 23.2306 H 1 RES1 0.0000 963 C11_26 -12.7024 -13.1676 24.9417 C.3 1 RES1 0.0000 964 H11A_26 -12.1261 -12.5203 25.4030 H 1 RES1 0.0000 965 H11B_26 -13.3943 -13.4765 25.5957 H 1 RES1 0.0000 966 C12_26 -11.9116 -14.3303 24.4862 C.3 1 RES1 0.0000 967 H12A_26 -11.6596 -14.8545 25.2862 H 1 RES1 0.0000 968 H12B_26 -11.0696 -13.9793 24.0949 H 1 RES1 0.0000 969 C13_26 -13.0669 -18.1529 19.4932 C.3 1 RES1 0.0000 970 H13_26 -13.7059 -18.8181 19.8844 H 1 RES1 0.0000 971 C14_26 -12.8111 -18.8022 18.1383 C.3 1 RES1 0.0000 972 H14A_26 -13.5192 -19.4691 17.9573 H 1 RES1 0.0000 973 H14B_26 -11.9442 -19.2840 18.1675 H 1 RES1 0.0000 974 C15_26 -12.7758 -17.8156 17.0288 C.3 1 RES1 0.0000 975 H15A_26 -12.6130 -18.2915 16.1762 H 1 RES1 0.0000 976 H15B_26 -12.0202 -17.1930 17.1748 H 1 RES1 0.0000 977 C16_26 -14.0393 -17.0293 16.9178 C.3 1 RES1 0.0000 978 H16A_26 -14.5953 -17.4135 16.1937 H 1 RES1 0.0000 979 H16B_26 -13.8184 -16.0970 16.6667 H 1 RES1 0.0000 980 C17_26 -14.8391 -17.0204 18.1850 C.3 1 RES1 0.0000 981 H17A_26 -15.4435 -16.2364 18.1850 H 1 RES1 0.0000 982 H17B_26 -15.3993 -17.8355 18.2259 H 1 RES1 0.0000 983 C18_26 -13.9641 -16.9697 19.3939 C.3 1 RES1 0.0000 984 H18A_26 -13.4125 -16.1462 19.3588 H 1 RES1 0.0000 985 H18B_26 -14.5288 -16.9206 20.2056 H 1 RES1 0.0000 986 C19_26 -10.8806 -19.9564 20.6027 C.3 1 RES1 0.0000 987 H19_26 -10.6463 -19.9830 19.6275 H 1 RES1 0.0000 988 C20_26 -11.8786 -21.0576 20.7195 C.3 1 RES1 0.0000 989 H20A_26 -12.4775 -20.8445 21.4787 H 1 RES1 0.0000 990 H20B_26 -12.4323 -21.0582 19.9019 H 1 RES1 0.0000 991 C21_26 -11.3614 -22.4369 20.9239 C.3 1 RES1 0.0000 992 H21A_26 -11.0619 -22.8033 20.0538 H 1 RES1 0.0000 993 H21B_26 -12.0954 -23.0124 21.2568 H 1 RES1 0.0000 994 C22_26 -10.2078 -22.4876 21.8933 C.3 1 RES1 0.0000 995 H22A_26 -10.5434 -22.2385 22.7985 H 1 RES1 0.0000 996 H22B_26 -9.8666 -23.4110 21.9400 H 1 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22.1853 N.2 1 RES1 0.0000 1016 C5_27 -7.7235 -10.1774 23.0204 C.2 1 RES1 0.0000 1017 H5_27 -8.6594 -10.2048 23.1722 H 1 RES1 0.0000 1018 N5_27 -1.7811 -9.3714 20.5677 N.2 1 RES1 0.0000 1019 C6_27 -7.0963 -11.2833 22.4481 C.2 1 RES1 0.0000 1020 C7_27 -7.6465 -6.1209 25.6833 C.2 1 RES1 0.0000 1021 H7_27 -7.2254 -5.6834 26.4133 H 1 RES1 0.0000 1022 C8_27 -7.0557 -7.2621 25.1344 C.2 1 RES1 0.0000 1023 H8_27 -6.2390 -7.6000 25.4848 H 1 RES1 0.0000 1024 C9_27 -7.6856 -7.8950 24.0599 C.2 1 RES1 0.0000 1025 C10_27 -8.9789 -7.4931 23.6978 C.2 1 RES1 0.0000 1026 H10_27 -9.5177 -8.0209 23.1197 H 1 RES1 0.0000 1027 C11_27 -9.4419 -6.2813 24.2292 C.2 1 RES1 0.0000 1028 H11_27 -10.2433 -5.9160 23.8730 H 1 RES1 0.0000 1029 C12_27 -8.1247 -14.7770 21.3444 C.2 1 RES1 0.0000 1030 H12_27 -7.7366 -15.6306 21.2042 H 1 RES1 0.0000 1031 C13_27 -7.2961 -13.7107 21.7765 C.2 1 RES1 0.0000 1032 H13_27 -6.3587 -13.8244 21.8641 H 1 RES1 0.0000 1033 C14_27 -7.9115 -12.4854 22.0568 C.2 1 RES1 0.0000 1034 C15_27 -9.2286 -12.3092 21.6188 C.2 1 RES1 0.0000 1035 H15_27 -9.5966 -11.4354 21.5312 H 1 RES1 0.0000 1036 C16_27 -9.9971 -13.4322 21.3035 C.2 1 RES1 0.0000 1037 H16_27 -10.9400 -13.3491 21.2217 H 1 RES1 0.0000 1038 C31_27 -0.8308 -8.4275 24.2643 C.2 1 RES1 0.0000 1039 C32_27 -1.7312 -7.9047 25.3621 C.3 1 RES1 0.0000 1040 H32A_27 -1.5316 -6.9607 25.5548 H 1 RES1 0.0000 1041 H32B_27 -2.6835 -7.9887 25.0993 H 1 RES1 0.0000 1042 C33_27 -1.4374 -8.7739 26.5534 C.3 1 RES1 0.0000 1043 H33A_27 -1.9929 -8.4854 27.3068 H 1 RES1 0.0000 1044 H33B_27 -1.6313 -9.7066 26.3374 H 1 RES1 0.0000 1045 H33C_27 -0.4879 -8.6816 26.7929 H 1 RES1 0.0000 1046 C41_27 -1.1040 -12.8604 22.3605 C.2 1 RES1 0.0000 1047 C42_27 -2.0654 -13.9823 22.6233 C.3 1 RES1 0.0000 1048 H42A_27 -2.7807 -13.9847 21.9400 H 1 RES1 0.0000 1049 H42B_27 -1.5929 -14.8496 22.5882 H 1 RES1 0.0000 1050 C43_27 -2.6572 -13.7771 23.9898 C.3 1 RES1 0.0000 1051 H43A_27 -3.2907 -14.4999 24.1825 H 1 RES1 0.0000 1052 H43B_27 -1.9427 -13.7795 24.6614 H 1 RES1 0.0000 1053 H43C_27 -3.1275 -12.9147 24.0131 H 1 RES1 0.0000 1054 C51_27 -1.4581 -8.7194 19.4815 C.2 1 RES1 0.0000 1055 C52_27 -2.5109 -7.8413 18.8508 C.3 1 RES1 0.0000 1056 H52A_27 -2.9831 -7.3200 19.5516 H 1 RES1 0.0000 1057 H52B_27 -2.0953 -7.2110 18.2142 H 1 RES1 0.0000 1058 C53_27 -3.4713 -8.7265 18.1383 C.3 1 RES1 0.0000 1059 H53A_27 -4.1699 -8.1930 17.7179 H 1 RES1 0.0000 1060 H53B_27 -2.9919 -9.2466 17.4551 H 1 RES1 0.0000 1061 H53C_27 -3.8789 -9.3544 18.7807 H 1 RES1 0.0000 1062 B_27 -3.4012 -10.0380 22.2379 B 1 RES1 0.0000 1063 Fe_28 -0.4834 -10.0736 21.9108 Fe 1 RES1 0.0000 1064 C1_29 4.0110 -10.1250 21.2684 C.2 1 RES1 0.0000 1065 N1_29 9.0062 -6.1136 22.2554 N.2 1 RES1 0.0000 1066 O1_29 1.7605 -9.9105 20.1005 O.3 1 RES1 0.0000 1067 C2_29 4.5639 -11.3313 20.8013 C.2 1 RES1 0.0000 1068 H2_29 3.9797 -12.0539 20.6086 H 1 RES1 0.0000 1069 N2_29 7.8327 -15.1808 19.4873 N.2 1 RES1 0.0000 1070 O2_29 2.0504 -11.2739 22.1795 O.3 1 RES1 0.0000 1071 C3_29 4.9050 -9.1067 21.5838 C.2 1 RES1 0.0000 1072 H3_29 4.5721 -8.2894 21.9342 H 1 RES1 0.0000 1073 N3_29 0.8647 -8.9739 22.8977 N.2 1 RES1 0.0000 1074 O3_29 2.0876 -8.8002 22.2787 O.3 1 RES1 0.0000 1075 C4_29 6.2791 -9.2588 21.4028 C.2 1 RES1 0.0000 1076 N4_29 0.7354 -11.6613 22.0451 N.2 1 RES1 0.0000 1077 C5_29 6.7935 -10.4640 20.9531 C.2 1 RES1 0.0000 1078 H5_29 7.7325 -10.5819 20.8772 H 1 RES1 0.0000 1079 N5_29 0.3802 -9.6519 20.1764 N.2 1 RES1 0.0000 1080 C6_29 5.9273 -11.5128 20.6144 C.2 1 RES1 0.0000 1081 C7_29 7.9506 -6.3164 23.0729 C.2 1 RES1 0.0000 1082 H7_29 7.8352 -5.7592 23.8321 H 1 RES1 0.0000 1083 C8_29 7.0203 -7.3311 22.8101 C.2 1 RES1 0.0000 1084 H8_29 6.2729 -7.4641 23.3824 H 1 RES1 0.0000 1085 C9_29 7.2213 -8.1430 21.7006 C.2 1 RES1 0.0000 1086 C10_29 8.3037 -7.9211 20.8421 C.2 1 RES1 0.0000 1087 H10_29 8.4659 -8.4729 20.0888 H 1 RES1 0.0000 1088 C11_29 9.1393 -6.8369 21.1575 C.2 1 RES1 0.0000 1089 H11_29 9.8353 -6.6172 20.5560 H 1 RES1 0.0000 1090 C12_29 6.7012 -15.2376 20.1939 C.2 1 RES1 0.0000 1091 H12_29 6.3394 -16.0849 20.4334 H 1 RES1 0.0000 1092 C13_29 6.0366 -14.0571 20.5910 C.2 1 RES1 0.0000 1093 H13_29 5.2439 -14.1069 21.1108 H 1 RES1 0.0000 1094 C14_29 6.5480 -12.8125 20.2115 C.2 1 RES1 0.0000 1095 C15_29 7.7587 -12.7790 19.4990 C.2 1 RES1 0.0000 1096 H15_29 8.1575 -11.9545 19.2479 H 1 RES1 0.0000 1097 C16_29 8.3572 -14.0062 19.1778 C.2 1 RES1 0.0000 1098 H16_29 9.1844 -13.9946 18.7106 H 1 RES1 0.0000 1099 C31_29 0.5833 -8.4181 24.0248 C.2 1 RES1 0.0000 1100 C32_29 1.7315 -7.9542 24.8774 C.3 1 RES1 0.0000 1101 H32A_29 1.5421 -8.1318 25.8293 H 1 RES1 0.0000 1102 H32B_29 2.5628 -8.4284 24.6263 H 1 RES1 0.0000 1103 C33_29 1.8800 -6.4851 24.6438 C.3 1 RES1 0.0000 1104 H33A_29 2.6179 -6.1393 25.1869 H 1 RES1 0.0000 1105 H33B_29 2.0631 -6.3195 23.6920 H 1 RES1 0.0000 1106 H33C_29 1.0492 -6.0258 24.8949 H 1 RES1 0.0000 1107 C41_29 0.3046 -12.8634 22.2729 C.2 1 RES1 0.0000 1108 C42_29 1.1576 -14.0754 22.3021 C.3 1 RES1 0.0000 1109 H42A_29 1.4114 -14.3161 21.3736 H 1 RES1 0.0000 1110 H42B_29 0.6443 -14.8292 22.6817 H 1 RES1 0.0000 1111 C43_29 2.4019 -13.8670 23.1080 C.3 1 RES1 0.0000 1112 H43A_29 2.9392 -14.6864 23.1021 H 1 RES1 0.0000 1113 H43B_29 2.9229 -13.1306 22.7226 H 1 RES1 0.0000 1114 H43C_29 2.1589 -13.6436 24.0307 H 1 RES1 0.0000 1115 C51_29 -0.1235 -8.9758 19.1486 C.2 1 RES1 0.0000 1116 C52_29 0.8703 -8.6583 18.0566 C.3 1 RES1 0.0000 1117 H52A_29 1.5552 -8.0344 18.3953 H 1 RES1 0.0000 1118 H52B_29 1.3328 -9.5012 17.7821 H 1 RES1 0.0000 1119 C53_29 0.1593 -8.0913 16.8945 C.3 1 RES1 0.0000 1120 H53A_29 0.8000 -7.8753 16.1820 H 1 RES1 0.0000 1121 H53B_29 -0.5116 -8.7128 16.5616 H 1 RES1 0.0000 1122 H53C_29 -0.2910 -7.2484 17.1689 H 1 RES1 0.0000 1123 B_29 2.4242 -10.0075 21.4378 B 1 RES1 0.0000 1124 Pt_30 8.6350 -17.0188 18.8695 Pt 1 RES1 0.0000 1125 P1_31 9.7193 -18.9454 18.6055 P.3 1 RES1 0.0000 1126 P2_31 9.8662 -17.4678 20.7312 P.3 1 RES1 0.0000 1127 C0_31 10.6461 -19.1374 20.2582 C.3 1 RES1 0.0000 1128 H0A_31 11.6317 -19.1171 20.1764 H 1 RES1 0.0000 1129 H0B_31 10.3442 -19.9024 20.8071 H 1 RES1 0.0000 1130 C1_31 7.1415 -20.3094 18.6289 C.3 1 RES1 0.0000 1131 H1A_31 6.8225 -19.6145 18.0040 H 1 RES1 0.0000 1132 H1B_31 6.9638 -19.9902 19.5516 H 1 RES1 0.0000 1133 C2_31 6.3814 -21.5748 18.3894 C.3 1 RES1 0.0000 1134 H2A_31 5.9952 -21.8835 19.2479 H 1 RES1 0.0000 1135 H2B_31 5.6291 -21.3868 17.7763 H 1 RES1 0.0000 1136 C3_31 7.2245 -22.6652 17.8113 C.3 1 RES1 0.0000 1137 H3A_31 7.5484 -22.3894 16.9237 H 1 RES1 0.0000 1138 H3B_31 6.6727 -23.4798 17.7003 H 1 RES1 0.0000 1139 C4_31 8.4023 -22.9852 18.6931 C.3 1 RES1 0.0000 1140 H4A_31 8.0888 -23.4621 19.4990 H 1 RES1 0.0000 1141 H4B_31 9.0244 -23.5817 18.2026 H 1 RES1 0.0000 1142 C5_31 9.1314 -21.7376 19.1077 C.3 1 RES1 0.0000 1143 H5A_31 9.0613 -21.6368 20.0888 H 1 RES1 0.0000 1144 H5B_31 10.0901 -21.8407 18.8858 H 1 RES1 0.0000 1145 C6_31 8.6136 -20.4921 18.4537 C.3 1 RES1 0.0000 1146 H6_31 8.6876 -20.7131 17.4784 H 1 RES1 0.0000 1147 C7_31 10.9720 -18.9885 17.1748 C.3 1 RES1 0.0000 1148 H7_31 11.5612 -19.7628 17.4025 H 1 RES1 0.0000 1149 C8_31 11.9177 -17.8263 17.1339 C.3 1 RES1 0.0000 1150 H8A_31 12.3602 -17.7304 18.0157 H 1 RES1 0.0000 1151 H8B_31 11.4100 -16.9945 16.9587 H 1 RES1 0.0000 1152 C9_31 12.9629 -18.0025 16.0711 C.3 1 RES1 0.0000 1153 H9A_31 13.5461 -18.7690 16.3105 H 1 RES1 0.0000 1154 H9B_31 13.5287 -17.1958 16.0243 H 1 RES1 0.0000 1155 C10_31 12.3522 -18.2598 14.7162 C.3 1 RES1 0.0000 1156 H10A_31 11.8078 -17.4784 14.4476 H 1 RES1 0.0000 1157 H10B_31 13.0702 -18.3831 14.0447 H 1 RES1 0.0000 1158 C11_31 11.4854 -19.4891 14.7688 C.3 1 RES1 0.0000 1159 H11A_31 11.0590 -19.6269 13.8870 H 1 RES1 0.0000 1160 H11B_31 12.0445 -20.2783 14.9673 H 1 RES1 0.0000 1161 C12_31 10.4297 -19.3535 15.8199 C.3 1 RES1 0.0000 1162 H12A_31 9.9276 -20.1920 15.8842 H 1 RES1 0.0000 1163 H12B_31 9.7905 -18.6392 15.5338 H 1 RES1 0.0000 1164 C13_31 11.3361 -16.2878 21.0757 C.3 1 RES1 0.0000 1165 H13_31 11.0087 -15.7019 21.8174 H 1 RES1 0.0000 1166 C14_31 11.6635 -15.3246 19.9603 C.3 1 RES1 0.0000 1167 H14A_31 12.0331 -15.8208 19.1895 H 1 RES1 0.0000 1168 H14B_31 10.8392 -14.8640 19.6684 H 1 RES1 0.0000 1169 C15_31 12.6656 -14.3133 20.4334 C.3 1 RES1 0.0000 1170 H15A_31 12.3057 -13.8243 21.2159 H 1 RES1 0.0000 1171 H15B_31 12.8436 -13.6592 19.7092 H 1 RES1 0.0000 1172 C16_31 13.9323 -15.0157 20.8071 C.3 1 RES1 0.0000 1173 H16A_31 14.3078 -15.4610 20.0071 H 1 RES1 0.0000 1174 H16B_31 14.5941 -14.3469 21.1166 H 1 RES1 0.0000 1175 C17_31 13.7318 -16.0502 21.8875 C.3 1 RES1 0.0000 1176 H17A_31 14.5486 -16.5851 21.9692 H 1 RES1 0.0000 1177 H17B_31 13.5915 -15.5688 22.7459 H 1 RES1 0.0000 1178 C18_31 12.5684 -16.9343 21.6364 C.3 1 RES1 0.0000 1179 H18A_31 12.3266 -17.3741 22.4890 H 1 RES1 0.0000 1180 H18B_31 12.8568 -17.6459 21.0115 H 1 RES1 0.0000 1181 C19_31 8.9017 -17.7052 22.3605 C.3 1 RES1 0.0000 1182 H19_31 9.5349 -18.2380 22.9211 H 1 RES1 0.0000 1183 C20_31 7.7045 -18.6030 22.2729 C.3 1 RES1 0.0000 1184 H20A_31 7.0810 -18.2056 21.6013 H 1 RES1 0.0000 1185 H20B_31 7.9909 -19.4723 21.9342 H 1 RES1 0.0000 1186 C21_31 6.9402 -18.7911 23.5343 C.3 1 RES1 0.0000 1187 H21A_31 7.4775 -19.3849 24.1358 H 1 RES1 0.0000 1188 H21B_31 6.0988 -19.2731 23.3299 H 1 RES1 0.0000 1189 C22_31 6.6273 -17.5169 24.2467 C.3 1 RES1 0.0000 1190 H22A_31 6.2591 -17.7244 25.1402 H 1 RES1 0.0000 1191 H22B_31 5.9554 -17.0188 23.7328 H 1 RES1 0.0000 1192 C23_31 7.8679 -16.6657 24.4102 C.3 1 RES1 0.0000 1193 H23A_31 7.5753 -15.7808 24.7431 H 1 RES1 0.0000 1194 H23B_31 8.4324 -17.0805 25.1052 H 1 RES1 0.0000 1195 C24_31 8.6712 -16.4746 23.1781 C.3 1 RES1 0.0000 1196 H24A_31 9.5491 -16.1027 23.4350 H 1 RES1 0.0000 1197 H24B_31 8.2178 -15.8006 22.6116 H 1 RES1 0.0000 1198 Pt_32 10.2952 -4.5553 22.8487 Pt 1 RES1 0.0000 1199 P1_33 11.8186 -3.1471 23.4233 P.3 1 RES1 0.0000 1200 P2_33 11.7239 -5.6434 24.1650 P.3 1 RES1 0.0000 1201 C0_33 12.8907 -4.1887 24.5738 C.3 1 RES1 0.0000 1202 H0A_33 12.8679 -3.9054 25.5256 H 1 RES1 0.0000 1203 H0B_33 13.8214 -4.3153 24.2584 H 1 RES1 0.0000 1204 C1_33 13.2512 -3.3832 20.8597 C.3 1 RES1 0.0000 1205 H1A_33 12.4846 -3.4915 20.2465 H 1 RES1 0.0000 1206 H1B_33 13.4823 -4.2789 21.2217 H 1 RES1 0.0000 1207 C2_33 14.4258 -2.8476 20.0947 C.3 1 RES1 0.0000 1208 H2A_33 15.2294 -2.8795 20.6728 H 1 RES1 0.0000 1209 H2B_33 14.5913 -3.4264 19.3121 H 1 RES1 0.0000 1210 C3_33 14.2074 -1.4415 19.6275 C.3 1 RES1 0.0000 1211 H3A_33 13.5252 -1.4326 18.9209 H 1 RES1 0.0000 1212 H3B_33 15.0607 -1.1073 19.2245 H 1 RES1 0.0000 1213 C4_33 13.8092 -0.5154 20.7312 C.3 1 RES1 0.0000 1214 H4A_33 13.5436 0.3557 20.3458 H 1 RES1 0.0000 1215 H4B_33 14.5812 -0.3610 21.3327 H 1 RES1 0.0000 1216 C5_33 12.6663 -1.0731 21.5371 C.3 1 RES1 0.0000 1217 H5A_33 12.5289 -0.5014 22.3313 H 1 RES1 0.0000 1218 H5B_33 11.8442 -1.0263 20.9881 H 1 RES1 0.0000 1219 C6_33 12.8615 -2.4893 21.9867 C.3 1 RES1 0.0000 1220 H6_33 13.7443 -2.3986 22.4481 H 1 RES1 0.0000 1221 C7_33 11.0014 -1.6621 24.2993 C.3 1 RES1 0.0000 1222 H7_33 11.7325 -1.0048 24.4862 H 1 RES1 0.0000 1223 C8_33 10.3294 -1.9393 25.6132 C.3 1 RES1 0.0000 1224 H8A_33 10.9862 -2.3326 26.2439 H 1 RES1 0.0000 1225 H8B_33 9.6036 -2.6019 25.4789 H 1 RES1 0.0000 1226 C9_33 9.7547 -0.6957 26.2147 C.3 1 RES1 0.0000 1227 H9A_33 9.2917 -0.9308 27.0557 H 1 RES1 0.0000 1228 H9B_33 10.4952 -0.0815 26.4425 H 1 RES1 0.0000 1229 C10_33 8.7874 0.0247 25.3096 C.3 1 RES1 0.0000 1230 H10A_33 8.5148 0.8797 25.7300 H 1 RES1 0.0000 1231 H10B_33 7.9769 -0.5278 25.1811 H 1 RES1 0.0000 1232 C11_33 9.4385 0.2947 23.9781 C.3 1 RES1 0.0000 1233 H11A_33 8.7689 0.6755 23.3532 H 1 RES1 0.0000 1234 H11B_33 10.1625 0.9592 24.0949 H 1 RES1 0.0000 1235 C12_33 9.9963 -0.9512 23.4000 C.3 1 RES1 0.0000 1236 H12A_33 10.4382 -0.7353 22.5415 H 1 RES1 0.0000 1237 H12B_33 9.2516 -1.5750 23.2073 H 1 RES1 0.0000 1238 C13_33 11.0021 -6.1914 25.8468 C.3 1 RES1 0.0000 1239 H13_33 10.5181 -7.0474 25.6716 H 1 RES1 0.0000 1240 C14_33 11.9515 -6.4789 26.9973 C.3 1 RES1 0.0000 1241 H14A_33 12.7432 -6.9682 26.6586 H 1 RES1 0.0000 1242 H14B_33 12.2630 -5.6275 27.3944 H 1 RES1 0.0000 1243 C15_33 11.2760 -7.2986 28.0543 C.3 1 RES1 0.0000 1244 H15A_33 11.4153 -8.2605 27.8616 H 1 RES1 0.0000 1245 H15B_33 11.6824 -7.1003 28.9302 H 1 RES1 0.0000 1246 C16_33 9.8020 -7.0077 28.1068 C.3 1 RES1 0.0000 1247 H16A_33 9.4697 -7.1966 29.0237 H 1 RES1 0.0000 1248 H16B_33 9.3292 -7.6145 27.4820 H 1 RES1 0.0000 1249 C17_33 9.4839 -5.5859 27.7506 C.3 1 RES1 0.0000 1250 H17A_33 8.5039 -5.4500 27.7973 H 1 RES1 0.0000 1251 H17B_33 9.9048 -4.9797 28.4105 H 1 RES1 0.0000 1252 C18_33 9.9642 -5.2340 26.3782 C.3 1 RES1 0.0000 1253 H18A_33 10.3456 -4.3206 26.4016 H 1 RES1 0.0000 1254 H18B_33 9.1902 -5.2225 25.7651 H 1 RES1 0.0000 1255 C19_33 12.7023 -7.0469 23.3708 C.3 1 RES1 0.0000 1256 H19_33 11.9660 -7.7197 23.3065 H 1 RES1 0.0000 1257 C20_33 13.6943 -7.8788 24.1066 C.3 1 RES1 0.0000 1258 H20A_33 14.5541 -7.3874 24.1591 H 1 RES1 0.0000 1259 H20B_33 13.3726 -8.0151 25.0351 H 1 RES1 0.0000 1260 C21_33 13.9332 -9.2098 23.4817 C.3 1 RES1 0.0000 1261 H21A_33 13.0960 -9.7353 23.4992 H 1 RES1 0.0000 1262 H21B_33 14.6185 -9.7025 24.0015 H 1 RES1 0.0000 1263 C22_33 14.4040 -9.0536 22.0627 C.3 1 RES1 0.0000 1264 H22A_33 14.4638 -9.9475 21.6422 H 1 RES1 0.0000 1265 H22B_33 15.3095 -8.6556 22.0627 H 1 RES1 0.0000 1266 C23_33 13.4766 -8.1966 21.2568 C.3 1 RES1 0.0000 1267 H23A_33 13.9543 -7.9465 20.4158 H 1 RES1 0.0000 1268 H23B_33 12.6955 -8.7337 21.0057 H 1 RES1 0.0000 1269 C24_33 13.0203 -6.9500 21.9167 C.3 1 RES1 0.0000 1270 H24A_33 13.7209 -6.2588 21.7999 H 1 RES1 0.0000 1271 H24B_33 12.2119 -6.6356 21.4436 H 1 RES1 0.0000 1272 Pt_34 -9.8781 -4.1219 26.3339 Pt 1 RES1 0.0000 1273 P1_35 -10.7744 -2.4705 27.5123 P.3 1 RES1 0.0000 1274 P2_35 -10.9369 -5.0092 28.0531 P.3 1 RES1 0.0000 1275 C0_35 -11.4592 -3.4507 29.0003 C.3 1 RES1 0.0000 1276 H0A_35 -10.9644 -3.3027 29.8412 H 1 RES1 0.0000 1277 H0B_35 -12.4366 -3.3590 29.1288 H 1 RES1 0.0000 1278 C1_35 -8.2497 -1.7613 28.7492 C.3 1 RES1 0.0000 1279 H1A_35 -7.8079 -2.2904 28.0367 H 1 RES1 0.0000 1280 H1B_35 -8.4650 -2.3813 29.4908 H 1 RES1 0.0000 1281 C2_35 -7.2777 -0.7381 29.2514 C.3 1 RES1 0.0000 1282 H2A_35 -6.9025 -0.2408 28.4806 H 1 RES1 0.0000 1283 H2B_35 -6.5266 -1.2003 29.7069 H 1 RES1 0.0000 1284 C3_35 -7.9002 0.2335 30.2033 C.3 1 RES1 0.0000 1285 H3A_35 -7.2530 0.9549 30.4077 H 1 RES1 0.0000 1286 H3B_35 -8.1236 -0.2296 31.0501 H 1 RES1 0.0000 1287 C4_35 -9.1417 0.8369 29.6252 C.3 1 RES1 0.0000 1288 H4A_35 -8.9066 1.4006 28.8485 H 1 RES1 0.0000 1289 H4B_35 -9.5712 1.4174 30.3026 H 1 RES1 0.0000 1290 C5_35 -10.1194 -0.2294 29.1930 C.3 1 RES1 0.0000 1291 H5A_35 -10.4275 -0.7267 29.9931 H 1 RES1 0.0000 1292 H5B_35 -10.9100 0.2012 28.7842 H 1 RES1 0.0000 1293 C6_35 -9.5256 -1.2064 28.2061 C.3 1 RES1 0.0000 1294 H6_35 -9.2545 -0.6510 27.4236 H 1 RES1 0.0000 1295 C7_35 -12.2114 -1.4751 26.7578 C.3 1 RES1 0.0000 1296 H7_35 -12.5338 -0.8826 27.4936 H 1 RES1 0.0000 1297 C8_35 -13.3992 -2.3271 26.3958 C.3 1 RES1 0.0000 1298 H8A_35 -13.7251 -2.7926 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