96T Converted by convert_cif2sdf.py 2024/03/29 11:09:15 70 73 0 0 0 0 0 0 0 0999 V2000 1.4657 3.7255 3.5264 O 0 0 0 0 0 1.0386 3.1074 2.3100 C 0 0 0 0 0 2.0755 2.0705 1.8732 C 0 0 0 0 0 1.5614 1.3235 0.6413 C 0 0 0 0 0 2.4951 0.2476 0.2972 N 0 3 0 0 0 3.7815 0.4732 -0.0849 C 0 0 0 0 0 4.5014 1.6664 -0.2428 C 0 0 0 0 0 5.8175 1.6277 -0.6489 C 0 0 0 0 0 6.4399 0.4185 -0.9037 C 0 0 0 0 0 5.7381 -0.7678 -0.7517 C 0 0 0 0 0 4.4270 -0.7400 -0.3475 C 0 0 0 0 0 3.3921 -1.8104 -0.0872 C 0 0 0 0 0 3.1127 -2.6112 -1.3612 C 0 0 0 0 0 3.8459 -2.7367 1.0418 C 0 0 0 0 0 2.1717 -1.0182 0.3345 C 0 0 0 0 0 0.9220 -1.5459 0.6975 C 0 0 0 0 0 -0.2226 -0.9319 0.2868 C 0 0 0 0 0 -1.4696 -1.3750 0.7663 C 0 0 0 0 0 -2.6071 -0.7711 0.3508 C 0 0 0 0 0 -4.0231 -1.2473 0.5957 C 0 0 0 0 0 -4.2430 -2.6218 -0.0408 C 0 0 0 0 0 -4.3192 -1.2971 2.0966 C 0 0 0 0 0 -4.8856 -0.2073 -0.0801 C 0 0 0 0 0 -6.2497 -0.0721 -0.2111 C 0 0 0 0 0 -6.7748 1.0088 -0.8988 C 0 0 0 0 0 -5.9258 1.9495 -1.4525 C 0 0 0 0 0 -4.5587 1.8178 -1.3226 C 0 0 0 0 0 -4.0228 0.7316 -0.6309 C 0 0 0 0 0 -2.6982 0.3901 -0.3657 N 0 0 0 0 0 -1.5431 1.1770 -0.8052 C 0 0 0 0 0 -0.9754 0.5759 -2.0920 C 0 0 0 0 0 0.3015 1.3216 -2.4832 C 0 0 0 0 0 0.7651 0.8416 -3.7474 O 0 0 0 0 0 0.8551 4.3952 3.8628 H 0 0 0 0 0 0.0785 2.6164 2.4696 H 0 0 0 0 0 0.9337 3.8664 1.5346 H 0 0 0 0 0 3.0115 2.5739 1.6292 H 0 0 0 0 0 2.2449 1.3623 2.6831 H 0 0 0 0 0 0.5812 0.8988 0.8566 H 0 0 0 0 0 1.4806 2.0162 -0.1970 H 0 0 0 0 0 4.0246 2.6151 -0.0459 H 0 0 0 0 0 6.3678 2.5489 -0.7691 H 0 0 0 0 0 7.4711 0.3978 -1.2229 H 0 0 0 0 0 6.2230 -1.7116 -0.9512 H 0 0 0 0 0 4.0267 -3.1063 -1.6872 H 0 0 0 0 0 2.3460 -3.3600 -1.1588 H 0 0 0 0 0 2.7647 -1.9381 -2.1446 H 0 0 0 0 0 4.0137 -2.1521 1.9466 H 0 0 0 0 0 3.0755 -3.4847 1.2308 H 0 0 0 0 0 4.7720 -3.2341 0.7539 H 0 0 0 0 0 0.8683 -2.4398 1.3012 H 0 0 0 0 0 -0.1731 -0.1044 -0.4054 H 0 0 0 0 0 -1.5192 -2.1969 1.4643 H 0 0 0 0 0 -3.5484 -3.3389 0.3950 H 0 0 0 0 0 -5.2663 -2.9480 0.1452 H 0 0 0 0 0 -4.0733 -2.5558 -1.1149 H 0 0 0 0 0 -4.2008 -0.3011 2.5231 H 0 0 0 0 0 -5.3409 -1.6411 2.2537 H 0 0 0 0 0 -3.6256 -1.9844 2.5813 H 0 0 0 0 0 -6.9104 -0.8086 0.2217 H 0 0 0 0 0 -7.8444 1.1169 -1.0038 H 0 0 0 0 0 -6.3358 2.7927 -1.9887 H 0 0 0 0 0 -3.9020 2.5568 -1.7568 H 0 0 0 0 0 -1.8542 2.2053 -0.9916 H 0 0 0 0 0 -0.7780 1.1639 -0.0286 H 0 0 0 0 0 -0.7468 -0.4779 -1.9303 H 0 0 0 0 0 -1.7098 0.6695 -2.8919 H 0 0 0 0 0 0.0930 2.3881 -2.5535 H 0 0 0 0 0 1.0677 1.1502 -1.7274 H 0 0 0 0 0 1.5733 1.2711 -4.0588 H 0 0 0 0 0 2 1 1 0 0 0 2 3 1 0 0 0 8 7 2 0 0 0 8 9 1 0 0 0 3 4 1 0 0 0 7 6 1 0 0 0 9 10 2 0 0 0 6 11 2 0 0 0 6 5 1 0 0 0 4 5 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 5 15 2 0 0 0 13 12 1 0 0 0 15 12 1 0 0 0 15 16 1 0 0 0 12 14 1 0 0 0 16 17 2 0 0 0 17 18 1 0 0 0 30 31 1 0 0 0 30 29 1 0 0 0 31 32 1 0 0 0 18 19 2 0 0 0 29 19 1 0 0 0 29 28 1 0 0 0 19 20 1 0 0 0 32 33 1 0 0 0 28 27 2 0 0 0 28 23 1 0 0 0 27 26 1 0 0 0 21 20 1 0 0 0 20 23 1 0 0 0 20 22 1 0 0 0 23 24 2 0 0 0 26 25 2 0 0 0 24 25 1 0 0 0 1 34 1 0 0 0 2 35 1 0 0 0 2 36 1 0 0 0 3 37 1 0 0 0 3 38 1 0 0 0 4 39 1 0 0 0 4 40 1 0 0 0 7 41 1 0 0 0 8 42 1 0 0 0 9 43 1 0 0 0 10 44 1 0 0 0 13 45 1 0 0 0 13 46 1 0 0 0 13 47 1 0 0 0 14 48 1 0 0 0 14 49 1 0 0 0 14 50 1 0 0 0 16 51 1 0 0 0 17 52 1 0 0 0 18 53 1 0 0 0 21 54 1 0 0 0 21 55 1 0 0 0 21 56 1 0 0 0 22 57 1 0 0 0 22 58 1 0 0 0 22 59 1 0 0 0 24 60 1 0 0 0 25 61 1 0 0 0 26 62 1 0 0 0 27 63 1 0 0 0 30 64 1 0 0 0 30 65 1 0 0 0 31 66 1 0 0 0 31 67 1 0 0 0 32 68 1 0 0 0 32 69 1 0 0 0 33 70 1 0 0 0 M END $$$$