9S3 Converted by convert_cif2sdf.py 2024/03/29 11:09:15 69 73 0 0 0 0 0 0 0 0999 V2000 5.3432 3.3861 0.5962 O 0 0 0 0 0 5.8851 2.4698 0.0147 C 0 0 0 0 0 7.3027 2.6188 -0.4726 C 0 0 0 0 0 5.2194 1.3153 -0.1900 N 0 0 0 0 0 5.9247 0.1246 -0.6812 C 0 0 0 0 0 7.4349 0.3116 -0.5166 C 0 0 0 0 0 3.8447 1.2301 0.0687 C 0 0 0 0 0 3.2093 -0.0012 0.1292 C 0 0 0 0 0 3.9632 -1.2878 -0.0852 C 0 0 0 0 0 3.4686 -2.2998 0.8514 N 0 0 0 0 0 2.3419 -3.0597 0.5267 C 0 0 0 0 0 1.8717 -4.0203 1.4134 C 0 0 0 0 0 0.7569 -4.7691 1.0900 C 0 0 0 0 0 0.1105 -4.5636 -0.1144 C 0 0 0 0 0 0.5759 -3.6091 -0.9993 C 0 0 0 0 0 1.6865 -2.8523 -0.6796 C 0 0 0 0 0 5.4562 -1.0757 0.1520 C 0 0 0 0 0 3.1211 2.4024 0.2644 C 0 0 0 0 0 1.7691 2.3475 0.5227 C 0 0 0 0 0 1.1267 1.1120 0.5881 C 0 0 0 0 0 1.8533 -0.0593 0.3914 C 0 0 0 0 0 -0.3292 1.0453 0.8684 C 0 0 0 0 0 -1.0567 2.2165 1.0660 C 0 0 0 0 0 -2.4106 2.1485 1.3260 C 0 0 0 0 0 -3.0451 0.9211 1.3907 C 0 0 0 0 0 -2.3265 -0.2453 1.1941 C 0 0 0 0 0 -0.9735 -0.1881 0.9278 C 0 0 0 0 0 -4.5229 0.8541 1.6749 C 0 0 0 0 0 -5.2685 0.8978 0.4100 N 0 0 0 0 0 -6.7053 1.0723 0.6518 C 0 0 0 0 0 -7.4296 1.2590 -0.6839 C 0 0 0 0 0 -7.1875 0.0310 -1.5662 C 0 0 0 0 0 -5.6805 -0.1567 -1.7624 C 0 0 0 0 0 -5.0066 -0.3017 -0.3967 C 0 0 0 0 0 7.6318 3.6476 -0.3242 H 0 0 0 0 0 7.9526 1.9452 0.0867 H 0 0 0 0 0 7.3499 2.3721 -1.5337 H 0 0 0 0 0 5.6859 -0.0387 -1.7318 H 0 0 0 0 0 7.6482 0.6718 0.4897 H 0 0 0 0 0 7.9389 -0.6420 -0.6758 H 0 0 0 0 0 7.7932 1.0381 -1.2465 H 0 0 0 0 0 6.0032 -1.9675 -0.1519 H 0 0 0 0 0 5.6345 -0.8782 1.2095 H 0 0 0 0 0 3.6218 3.3578 0.2137 H 0 0 0 0 0 3.8026 -1.6330 -1.1063 H 0 0 0 0 0 1.3556 -1.0167 0.4421 H 0 0 0 0 0 3.9226 -2.4432 1.6964 H 0 0 0 0 0 2.3771 -4.1813 2.3540 H 0 0 0 0 0 2.0466 -2.1037 -1.3690 H 0 0 0 0 0 0.3908 -5.5167 1.7784 H 0 0 0 0 0 -0.7610 -5.1511 -0.3655 H 0 0 0 0 0 0.0685 -3.4511 -1.9389 H 0 0 0 0 0 1.2085 3.2576 0.6750 H 0 0 0 0 0 -0.5631 3.1758 1.0165 H 0 0 0 0 0 -0.4150 -1.0992 0.7705 H 0 0 0 0 0 -2.9761 3.0566 1.4803 H 0 0 0 0 0 -2.8262 -1.2007 1.2458 H 0 0 0 0 0 -4.7501 -0.0751 2.1988 H 0 0 0 0 0 -4.8129 1.7005 2.2963 H 0 0 0 0 0 -7.0991 0.1906 1.1571 H 0 0 0 0 0 -6.8646 1.9502 1.2767 H 0 0 0 0 0 -3.9323 -0.4220 -0.5315 H 0 0 0 0 0 -5.4075 -1.1776 0.1148 H 0 0 0 0 0 -8.4988 1.3733 -0.5052 H 0 0 0 0 0 -7.0469 2.1485 -1.1840 H 0 0 0 0 0 -7.6044 -0.8524 -1.0838 H 0 0 0 0 0 -7.6648 0.1790 -2.5351 H 0 0 0 0 0 -5.4989 -1.0531 -2.3548 H 0 0 0 0 0 -5.2696 0.7115 -2.2801 H 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 2 4 1 0 0 0 4 5 1 0 0 0 4 7 1 0 0 0 5 6 1 0 0 0 5 17 1 0 0 0 7 8 1 0 0 0 7 18 2 0 0 0 8 9 1 0 0 0 8 21 2 0 0 0 9 10 1 0 0 0 9 17 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 11 16 2 0 0 0 12 13 2 0 0 0 13 14 1 0 0 0 14 15 2 0 0 0 15 16 1 0 0 0 18 19 1 0 0 0 19 20 2 0 0 0 20 21 1 0 0 0 20 22 1 0 0 0 22 23 1 0 0 0 22 27 2 0 0 0 23 24 2 0 0 0 24 25 1 0 0 0 25 26 2 0 0 0 25 28 1 0 0 0 26 27 1 0 0 0 28 29 1 0 0 0 29 30 1 0 0 0 29 34 1 0 0 0 30 31 1 0 0 0 31 32 1 0 0 0 32 33 1 0 0 0 33 34 1 0 0 0 3 35 1 0 0 0 3 36 1 0 0 0 3 37 1 0 0 0 5 38 1 0 0 0 6 39 1 0 0 0 6 40 1 0 0 0 6 41 1 0 0 0 17 42 1 0 0 0 17 43 1 0 0 0 18 44 1 0 0 0 9 45 1 0 0 0 21 46 1 0 0 0 10 47 1 0 0 0 12 48 1 0 0 0 16 49 1 0 0 0 13 50 1 0 0 0 14 51 1 0 0 0 15 52 1 0 0 0 19 53 1 0 0 0 23 54 1 0 0 0 27 55 1 0 0 0 24 56 1 0 0 0 26 57 1 0 0 0 28 58 1 0 0 0 28 59 1 0 0 0 30 60 1 0 0 0 30 61 1 0 0 0 34 62 1 0 0 0 34 63 1 0 0 0 31 64 1 0 0 0 31 65 1 0 0 0 32 66 1 0 0 0 32 67 1 0 0 0 33 68 1 0 0 0 33 69 1 0 0 0 M END $$$$