0QS Converted by convert_cif2sdf.py 2024/03/29 11:09:15 110113 0 0 0 0 0 0 0 0999 V2000 7.8733 0.6400 -0.2432 S 0 0 0 0 0 7.9057 0.5132 -1.6581 O 0 0 0 0 0 8.9172 0.1119 0.5638 O 0 0 0 0 0 7.5037 2.3511 0.2334 C 0 0 0 0 0 7.2537 2.4170 1.7414 C 0 0 0 0 0 8.6885 3.2486 -0.1268 C 0 0 0 0 0 6.2563 2.8299 -0.5109 C 0 0 0 0 0 6.5314 -0.2152 0.2133 N 0 0 0 0 0 5.3125 -0.1530 -0.5961 C 0 0 0 0 0 5.2384 -1.3836 -1.5025 C 0 0 0 0 0 6.3385 -1.3178 -2.5302 C 0 0 0 0 0 7.5322 -1.9784 -2.3077 C 0 0 0 0 0 6.1528 -0.6007 -3.6968 C 0 0 0 0 0 8.5424 -1.9181 -3.2500 C 0 0 0 0 0 7.1620 -0.5404 -4.6391 C 0 0 0 0 0 8.3578 -1.1973 -4.4148 C 0 0 0 0 0 4.1087 -0.1231 0.3101 C 0 0 0 0 0 4.2357 -0.3482 1.4950 O 0 0 0 0 0 2.8906 0.1527 -0.1966 N 0 0 0 0 0 1.7307 0.2469 0.6943 C 0 0 0 0 0 0.5405 -0.4054 0.0393 C 0 0 0 0 0 0.6500 -0.9008 -1.0623 O 0 0 0 0 0 1.4171 1.7193 0.9692 C 0 0 0 0 0 2.5108 2.3152 1.8180 C 0 0 0 0 0 3.5732 2.9993 1.3687 N 0 3 0 0 0 2.5886 2.2594 3.1620 C 0 0 0 0 0 4.3097 3.3650 2.3825 C 0 0 0 0 0 3.7313 2.9235 3.5200 N 0 0 0 0 0 -0.6449 -0.4396 0.6790 N 0 0 0 0 0 -1.8245 -0.9888 0.0058 C 0 0 0 0 0 -2.1864 -2.3375 0.6308 C 0 0 0 0 0 -0.9773 -3.2729 0.5604 C 0 0 0 0 0 -1.4211 -4.7039 0.8727 C 0 0 0 0 0 0.0704 -2.8301 1.5829 C 0 0 0 0 0 -0.2120 -5.6393 0.8023 C 0 0 0 0 0 1.2795 -3.7655 1.5125 C 0 0 0 0 0 0.8367 -5.1955 1.8250 C 0 0 0 0 0 -2.9999 -0.0218 0.1646 C 0 0 0 0 0 -3.3915 0.0300 1.5375 O 0 0 0 0 0 -2.6053 1.2811 -0.2685 O 0 0 0 0 0 -4.1770 -0.5066 -0.6837 C 0 0 0 0 0 -3.8087 -0.5104 -2.0335 F 0 0 0 0 0 -4.5315 -1.8021 -0.2930 F 0 0 0 0 0 -5.3520 0.4166 -0.4865 C 0 0 0 0 0 -5.1691 1.5649 -0.1409 O 0 0 0 0 0 -12.5776 2.2886 -1.3458 O 0 0 0 0 0 -12.6175 1.2284 -0.3874 C 0 0 0 0 0 -11.4572 0.2651 -0.6513 C 0 0 0 0 0 -10.1889 1.0088 -0.6069 N 0 0 0 0 0 -10.1838 2.0888 -1.6032 C 0 0 0 0 0 -11.3573 3.0342 -1.3295 C 0 0 0 0 0 -9.0446 0.1085 -0.7989 C 0 0 0 0 0 -7.7466 0.8630 -0.5011 C 0 0 0 0 0 -6.6052 -0.0341 -0.6935 N 0 0 0 0 0 8.1647 2.1411 2.2733 H 0 0 0 0 0 6.9653 3.4318 2.0177 H 0 0 0 0 0 6.4538 1.7266 2.0086 H 0 0 0 0 0 8.8667 3.2009 -1.2011 H 0 0 0 0 0 8.4664 4.2769 0.1592 H 0 0 0 0 0 9.5776 2.9081 0.4041 H 0 0 0 0 0 5.4304 2.1451 -0.3149 H 0 0 0 0 0 5.9888 3.8289 -0.1683 H 0 0 0 0 0 6.4595 2.8554 -1.5815 H 0 0 0 0 0 6.5529 -0.7586 1.0167 H 0 0 0 0 0 5.3288 0.7488 -1.2088 H 0 0 0 0 0 5.3562 -2.2853 -0.9009 H 0 0 0 0 0 4.2720 -1.4063 -2.0062 H 0 0 0 0 0 7.6766 -2.5418 -1.3971 H 0 0 0 0 0 5.2190 -0.0882 -3.8728 H 0 0 0 0 0 9.4751 -2.4343 -3.0757 H 0 0 0 0 0 7.0165 0.0193 -5.5514 H 0 0 0 0 0 9.1471 -1.1500 -5.1512 H 0 0 0 0 0 2.7818 0.2893 -1.1509 H 0 0 0 0 0 1.9520 -0.2589 1.6331 H 0 0 0 0 0 1.3553 2.2604 0.0250 H 0 0 0 0 0 0.4662 1.7955 1.4956 H 0 0 0 0 0 3.7643 3.1921 0.4375 H 0 0 0 0 0 1.8858 1.7825 3.8277 H 0 0 0 0 0 5.2281 3.9303 2.3218 H 0 0 0 0 0 4.0611 3.0549 4.4222 H 0 0 0 0 0 -0.7180 -0.1001 1.5844 H 0 0 0 0 0 -1.6076 -1.1264 -1.0538 H 0 0 0 0 0 -2.4712 -2.1905 1.6727 H 0 0 0 0 0 -3.0202 -2.7796 0.0848 H 0 0 0 0 0 -0.5477 -3.2366 -0.4398 H 0 0 0 0 0 -1.8507 -4.7403 1.8739 H 0 0 0 0 0 -2.1673 -5.0205 0.1449 H 0 0 0 0 0 0.3862 -1.8101 1.3611 H 0 0 0 0 0 -0.3592 -2.8665 2.5841 H 0 0 0 0 0 -0.5278 -6.6585 1.0253 H 0 0 0 0 0 0.2176 -5.6030 -0.1979 H 0 0 0 0 0 1.7101 -3.7281 0.5115 H 0 0 0 0 0 2.0267 -3.4490 2.2413 H 0 0 0 0 0 0.4061 -5.2329 2.8260 H 0 0 0 0 0 1.6978 -5.8617 1.7745 H 0 0 0 0 0 -3.6725 -0.8215 1.8990 H 0 0 0 0 0 -2.3255 1.3206 -1.1929 H 0 0 0 0 0 -12.5253 1.6425 0.6166 H 0 0 0 0 0 -13.5617 0.6926 -0.4759 H 0 0 0 0 0 -11.4493 -0.5138 0.1118 H 0 0 0 0 0 -11.5780 -0.1901 -1.6346 H 0 0 0 0 0 -9.2473 2.6419 -1.5360 H 0 0 0 0 0 -10.2851 1.6638 -2.6022 H 0 0 0 0 0 -11.3904 3.8047 -2.1003 H 0 0 0 0 0 -11.2284 3.5008 -0.3532 H 0 0 0 0 0 -9.1329 -0.7419 -0.1236 H 0 0 0 0 0 -9.0299 -0.2451 -1.8301 H 0 0 0 0 0 -7.6582 1.7144 -1.1761 H 0 0 0 0 0 -7.7613 1.2177 0.5294 H 0 0 0 0 0 -6.7505 -0.9529 -0.9694 H 0 0 0 0 0 1 2 2 0 0 0 1 3 2 0 0 0 1 4 1 0 0 0 4 5 1 0 0 0 4 6 1 0 0 0 4 7 1 0 0 0 5 55 1 0 0 0 5 56 1 0 0 0 5 57 1 0 0 0 6 58 1 0 0 0 6 59 1 0 0 0 6 60 1 0 0 0 7 61 1 0 0 0 7 62 1 0 0 0 7 63 1 0 0 0 8 64 1 0 0 0 9 10 1 0 0 0 9 17 1 0 0 0 9 65 1 0 0 0 10 11 1 0 0 0 10 66 1 0 0 0 10 67 1 0 0 0 11 12 2 0 0 0 11 13 1 0 0 0 12 14 1 0 0 0 12 68 1 0 0 0 13 15 2 0 0 0 13 69 1 0 0 0 14 16 2 0 0 0 14 70 1 0 0 0 15 16 1 0 0 0 15 71 1 0 0 0 16 72 1 0 0 0 17 18 2 0 0 0 19 20 1 0 0 0 19 73 1 0 0 0 20 21 1 0 0 0 20 23 1 0 0 0 20 74 1 0 0 0 21 22 2 0 0 0 23 24 1 0 0 0 23 75 1 0 0 0 23 76 1 0 0 0 24 25 1 0 0 0 24 26 2 0 0 0 25 27 2 0 0 0 25 77 1 0 0 0 26 28 1 0 0 0 26 78 1 0 0 0 27 28 1 0 0 0 27 79 1 0 0 0 28 80 1 0 0 0 29 30 1 0 0 0 29 81 1 0 0 0 30 31 1 0 0 0 30 38 1 0 0 0 30 82 1 0 0 0 31 32 1 0 0 0 31 83 1 0 0 0 31 84 1 0 0 0 32 33 1 0 0 0 32 34 1 0 0 0 32 85 1 0 0 0 33 35 1 0 0 0 33 86 1 0 0 0 33 87 1 0 0 0 34 36 1 0 0 0 34 88 1 0 0 0 34 89 1 0 0 0 35 37 1 0 0 0 35 90 1 0 0 0 35 91 1 0 0 0 36 37 1 0 0 0 36 92 1 0 0 0 36 93 1 0 0 0 37 94 1 0 0 0 37 95 1 0 0 0 38 39 1 0 0 0 38 40 1 0 0 0 38 41 1 0 0 0 39 96 1 0 0 0 40 97 1 0 0 0 41 42 1 0 0 0 41 43 1 0 0 0 41 44 1 0 0 0 44 45 2 0 0 0 46 47 1 0 0 0 46 51 1 0 0 0 47 48 1 0 0 0 47 98 1 0 0 0 47 99 1 0 0 0 48 49 1 0 0 0 48100 1 0 0 0 48101 1 0 0 0 49 50 1 0 0 0 49 52 1 0 0 0 50 51 1 0 0 0 50102 1 0 0 0 50103 1 0 0 0 51104 1 0 0 0 51105 1 0 0 0 52 53 1 0 0 0 52106 1 0 0 0 52107 1 0 0 0 53 54 1 0 0 0 53108 1 0 0 0 53109 1 0 0 0 54110 1 0 0 0 17 19 1 0 0 0 21 29 1 0 0 0 8 1 1 0 0 0 8 9 1 0 0 0 44 54 1 0 0 0 M END $$$$