C3R Converted by convert_cif2sdf.py 2024/03/29 11:09:15 73 73 0 0 0 0 0 0 0 0999 V2000 3.6214 2.2195 -0.6091 C 0 0 0 0 0 0.0319 2.1591 -0.5509 C 0 0 0 0 0 -0.4003 -0.4972 -0.4264 C 0 0 0 0 0 -1.3305 -0.6585 0.4831 C 0 0 0 0 0 -3.6384 0.1935 0.4703 C 0 0 0 0 0 -4.9243 0.4472 -0.2729 C 0 0 0 0 0 -4.6384 1.2965 -1.5122 C 0 0 0 0 0 -7.2092 1.4454 -0.1149 C 0 0 0 0 0 7.2418 2.2987 0.6703 C 0 0 0 0 0 5.9928 1.7195 0.0026 C 0 0 0 0 0 5.7164 0.3462 0.5571 C 0 0 0 0 0 5.5740 -0.6716 -0.2546 C 0 0 0 0 0 5.2977 -2.0449 0.3009 C 0 0 0 0 0 5.3575 -2.0036 1.7274 O 0 0 0 0 0 3.9038 -2.5016 -0.1375 C 0 0 0 0 0 3.6172 -3.7765 0.4386 O 0 0 0 0 0 4.7959 2.6317 0.2810 C 0 0 0 0 0 2.3876 1.9676 0.2593 C 0 0 0 0 0 1.2982 1.3013 -0.5850 C 0 0 0 0 0 0.9901 -0.0857 -0.0167 C 0 0 0 0 0 -0.7217 -0.7253 -1.8803 C 0 0 0 0 0 -2.7480 -0.9530 0.0664 C 0 0 0 0 0 -3.2253 -2.2348 0.7527 C 0 0 0 0 0 -5.9035 1.1886 0.6398 C 0 0 0 0 0 -6.1712 0.3946 1.7969 O 0 0 0 0 0 -6.5730 1.1509 2.9403 C 0 0 0 0 0 -7.8457 0.1291 -0.4814 C 0 0 0 0 0 -8.9374 0.1050 -1.2613 O 0 0 0 0 0 -7.3726 -0.9042 -0.0731 O 0 0 0 0 0 -3.3215 0.9098 1.3893 O 0 0 0 0 0 1.9506 -1.0446 -0.5323 O 0 0 0 0 0 2.8786 -1.4988 0.3241 C 0 0 0 0 0 2.8914 -1.1043 1.4660 O 0 0 0 0 0 3.4084 3.0155 -1.3213 H 0 0 0 0 0 3.8785 1.3074 -1.1494 H 0 0 0 0 0 0.2516 3.1474 -0.9557 H 0 0 0 0 0 -0.7441 1.6853 -1.1520 H 0 0 0 0 0 -0.3146 2.2561 0.4778 H 0 0 0 0 0 -1.0805 -0.5801 1.5304 H 0 0 0 0 0 -5.3613 -0.5045 -0.5777 H 0 0 0 0 0 -3.9418 0.7682 -2.1626 H 0 0 0 0 0 -5.5694 1.4803 -2.0506 H 0 0 0 0 0 -4.2025 2.2482 -1.2084 H 0 0 0 0 0 -7.8900 2.0139 0.5186 H 0 0 0 0 0 -6.9999 2.0124 -1.0228 H 0 0 0 0 0 8.0932 1.6490 0.4716 H 0 0 0 0 0 7.4407 3.2923 0.2689 H 0 0 0 0 0 7.0798 2.3675 1.7458 H 0 0 0 0 0 6.1539 1.6518 -1.0739 H 0 0 0 0 0 5.6377 0.2011 1.6243 H 0 0 0 0 0 5.6547 -0.5275 -1.3216 H 0 0 0 0 0 6.0440 -2.7455 -0.0744 H 0 0 0 0 0 6.2138 -1.7215 2.0768 H 0 0 0 0 0 3.8725 -2.5781 -1.2252 H 0 0 0 0 0 2.7478 -4.1278 0.2025 H 0 0 0 0 0 5.0682 3.6651 0.0668 H 0 0 0 0 0 4.5066 2.5420 1.3281 H 0 0 0 0 0 2.6541 1.3136 1.0897 H 0 0 0 0 0 2.0167 2.9154 0.6475 H 0 0 0 0 0 1.6437 1.2043 -1.6136 H 0 0 0 0 0 1.0545 -0.0557 1.0707 H 0 0 0 0 0 0.1882 -0.6280 -2.4732 H 0 0 0 0 0 -1.1347 -1.7252 -2.0098 H 0 0 0 0 0 -1.4510 0.0144 -2.2117 H 0 0 0 0 0 -2.7896 -1.0827 -1.0143 H 0 0 0 0 0 -3.1838 -2.1059 1.8345 H 0 0 0 0 0 -4.2515 -2.4478 0.4517 H 0 0 0 0 0 -2.5814 -3.0644 0.4603 H 0 0 0 0 0 -5.4666 2.1402 0.9436 H 0 0 0 0 0 -5.8234 1.9131 3.1536 H 0 0 0 0 0 -7.5318 1.6301 2.7406 H 0 0 0 0 0 -6.6716 0.4873 3.7993 H 0 0 0 0 0 -9.3100 -0.7629 -1.4685 H 0 0 0 0 0 29 27 2 0 0 0 28 27 1 0 0 0 27 8 1 0 0 0 8 24 1 0 0 0 7 6 1 0 0 0 24 6 1 0 0 0 24 25 1 0 0 0 6 5 1 0 0 0 25 26 1 0 0 0 30 5 2 0 0 0 5 22 1 0 0 0 2 19 1 0 0 0 22 4 1 0 0 0 22 23 1 0 0 0 19 18 1 0 0 0 19 20 1 0 0 0 4 3 2 0 0 0 18 1 1 0 0 0 21 3 1 0 0 0 3 20 1 0 0 0 1 17 1 0 0 0 20 31 1 0 0 0 17 10 1 0 0 0 31 32 1 0 0 0 10 9 1 0 0 0 10 11 1 0 0 0 33 32 2 0 0 0 32 15 1 0 0 0 11 12 2 0 0 0 12 13 1 0 0 0 15 13 1 0 0 0 15 16 1 0 0 0 13 14 1 0 0 0 1 34 1 0 0 0 1 35 1 0 0 0 2 36 1 0 0 0 2 37 1 0 0 0 2 38 1 0 0 0 4 39 1 0 0 0 6 40 1 0 0 0 7 41 1 0 0 0 7 42 1 0 0 0 7 43 1 0 0 0 8 44 1 0 0 0 8 45 1 0 0 0 9 46 1 0 0 0 9 47 1 0 0 0 9 48 1 0 0 0 10 49 1 0 0 0 11 50 1 0 0 0 12 51 1 0 0 0 13 52 1 0 0 0 14 53 1 0 0 0 15 54 1 0 0 0 16 55 1 0 0 0 17 56 1 0 0 0 17 57 1 0 0 0 18 58 1 0 0 0 18 59 1 0 0 0 19 60 1 0 0 0 20 61 1 0 0 0 21 62 1 0 0 0 21 63 1 0 0 0 21 64 1 0 0 0 22 65 1 0 0 0 23 66 1 0 0 0 23 67 1 0 0 0 23 68 1 0 0 0 24 69 1 0 0 0 26 70 1 0 0 0 26 71 1 0 0 0 26 72 1 0 0 0 28 73 1 0 0 0 M END $$$$