F2I Converted by convert_cif2sdf.py 2024/03/29 11:09:15 79 81 0 0 0 0 0 0 0 0999 V2000 -1.6942 3.4312 5.4879 N 0 0 0 0 0 0.3471 2.6113 6.5203 C 0 0 0 0 0 0.0426 1.3198 6.1427 C 0 0 0 0 0 0.7411 -1.0262 5.8294 C 0 0 0 0 0 3.9557 2.3518 7.5398 C 0 0 0 0 0 -0.7089 3.6517 6.4346 C 0 0 0 0 0 1.4353 -0.4753 3.4802 C 0 0 0 0 0 0.3001 0.2537 2.7694 C 0 0 0 0 0 -2.7789 4.3667 5.2666 C 0 0 0 0 0 -2.6821 4.9059 3.8265 C 0 0 0 0 0 -7.3364 0.1269 4.5766 C 0 0 0 0 0 -8.5105 0.5659 3.9739 C 0 0 0 0 0 -9.7231 -0.0374 4.3049 C 0 0 0 0 0 -8.5721 -1.5110 5.8357 C 0 0 0 0 0 -0.8245 8.1943 3.6230 C 0 0 0 0 0 -1.5788 5.9143 3.6229 C 0 0 0 0 0 1.0351 0.3431 6.2222 C 0 0 0 0 0 2.3102 0.6792 6.6767 C 0 0 0 0 0 2.5932 1.9921 7.0527 C 0 0 0 0 0 1.6005 2.9698 6.9734 C 0 0 0 0 0 0.3304 -1.7890 6.7144 O 0 0 0 0 0 0.9489 -1.4100 4.4920 N 0 0 0 0 0 0.6923 -2.7661 4.0259 C 0 0 0 0 0 1.9186 -3.6636 4.1488 C 0 0 0 0 0 1.6656 -5.0767 3.6433 C 0 0 0 0 0 0.7969 1.2144 1.6994 C 0 0 0 0 0 -0.6457 4.6333 7.1696 O 0 0 0 0 0 -4.1394 3.7115 5.5928 C 0 0 0 0 0 -4.4280 2.4963 4.7063 C 0 0 0 0 0 -5.7345 1.9042 5.0795 N 0 0 0 0 0 -6.0310 0.7772 4.2195 C 0 0 0 0 0 -9.7539 -1.0759 5.2358 C 0 0 0 0 0 -7.3597 -0.9068 5.5049 C 0 0 0 0 0 -8.6190 -3.0587 7.2210 I 0 0 0 0 0 -1.8450 7.2617 3.8132 C 0 0 0 0 0 -0.3179 5.4763 3.2477 C 0 0 0 0 0 0.7018 6.4086 3.0579 C 0 0 0 0 0 0.4486 7.7675 3.2460 C 0 0 0 0 0 -1.0678 9.4982 3.8037 F 0 0 0 0 0 1.9239 5.9997 2.6934 F 0 0 0 0 0 -4.1508 3.3107 6.9629 O 0 0 0 0 0 -1.6492 2.6289 4.8709 H 0 0 0 0 0 -0.9512 1.0575 5.7873 H 0 0 0 0 0 4.6114 1.4731 7.5238 H 0 0 0 0 0 4.4076 3.1343 6.9172 H 0 0 0 0 0 3.9223 2.7425 8.5651 H 0 0 0 0 0 2.0158 -1.0580 2.7587 H 0 0 0 0 0 2.1126 0.2291 3.9731 H 0 0 0 0 0 -0.3552 -0.4879 2.2984 H 0 0 0 0 0 -0.3059 0.8069 3.4969 H 0 0 0 0 0 -2.6090 5.1866 5.9760 H 0 0 0 0 0 -2.5729 4.0762 3.1156 H 0 0 0 0 0 -3.6311 5.3880 3.5511 H 0 0 0 0 0 -8.4948 1.3743 3.2480 H 0 0 0 0 0 -10.6434 0.3012 3.8384 H 0 0 0 0 0 3.0848 -0.0814 6.7396 H 0 0 0 0 0 1.8222 3.9933 7.2671 H 0 0 0 0 0 0.3863 -2.6918 2.9779 H 0 0 0 0 0 -0.1508 -3.1641 4.5995 H 0 0 0 0 0 2.7378 -3.2249 3.5670 H 0 0 0 0 0 2.2497 -3.7079 5.1932 H 0 0 0 0 0 1.3428 -5.0676 2.5972 H 0 0 0 0 0 2.5837 -5.6693 3.7088 H 0 0 0 0 0 0.8975 -5.5814 4.2379 H 0 0 0 0 0 1.3986 0.6897 0.9503 H 0 0 0 0 0 -0.0518 1.6783 1.1866 H 0 0 0 0 0 1.4058 2.0139 2.1318 H 0 0 0 0 0 -4.9351 4.4545 5.4632 H 0 0 0 0 0 -3.6658 1.7199 4.8254 H 0 0 0 0 0 -4.4837 2.7841 3.6508 H 0 0 0 0 0 -5.6752 1.6046 6.0431 H 0 0 0 0 0 -5.2070 0.0613 4.3046 H 0 0 0 0 0 -6.0423 1.1390 3.1853 H 0 0 0 0 0 -10.7104 -1.5323 5.4791 H 0 0 0 0 0 -6.4314 -1.2381 5.9666 H 0 0 0 0 0 -2.8332 7.6037 4.1069 H 0 0 0 0 0 -0.1121 4.4200 3.0978 H 0 0 0 0 0 1.2422 8.4932 3.0976 H 0 0 0 0 0 -4.3313 4.1104 7.4799 H 0 0 0 0 0 1 9 1 0 0 0 1 6 1 0 0 0 1 42 1 0 0 0 2 3 1 0 0 0 2 6 1 0 0 0 2 20 2 0 0 0 3 17 2 0 0 0 3 43 1 0 0 0 4 21 2 0 0 0 4 22 1 0 0 0 4 17 1 0 0 0 5 19 1 0 0 0 5 44 1 0 0 0 5 45 1 0 0 0 5 46 1 0 0 0 6 27 2 0 0 0 7 22 1 0 0 0 7 8 1 0 0 0 7 47 1 0 0 0 7 48 1 0 0 0 8 26 1 0 0 0 8 49 1 0 0 0 8 50 1 0 0 0 9 10 1 0 0 0 9 28 1 0 0 0 9 51 1 0 0 0 10 16 1 0 0 0 10 52 1 0 0 0 10 53 1 0 0 0 11 31 1 0 0 0 11 33 1 0 0 0 11 12 2 0 0 0 12 13 1 0 0 0 12 54 1 0 0 0 13 32 2 0 0 0 13 55 1 0 0 0 14 34 1 0 0 0 14 33 2 0 0 0 14 32 1 0 0 0 15 35 2 0 0 0 15 38 1 0 0 0 15 39 1 0 0 0 16 36 2 0 0 0 16 35 1 0 0 0 17 18 1 0 0 0 18 19 2 0 0 0 18 56 1 0 0 0 19 20 1 0 0 0 20 57 1 0 0 0 22 23 1 0 0 0 23 24 1 0 0 0 23 58 1 0 0 0 23 59 1 0 0 0 24 25 1 0 0 0 24 60 1 0 0 0 24 61 1 0 0 0 25 62 1 0 0 0 25 63 1 0 0 0 25 64 1 0 0 0 26 65 1 0 0 0 26 66 1 0 0 0 26 67 1 0 0 0 28 41 1 0 0 0 28 29 1 0 0 0 28 68 1 0 0 0 29 30 1 0 0 0 29 69 1 0 0 0 29 70 1 0 0 0 30 31 1 0 0 0 30 71 1 0 0 0 31 72 1 0 0 0 31 73 1 0 0 0 32 74 1 0 0 0 33 75 1 0 0 0 35 76 1 0 0 0 36 37 1 0 0 0 36 77 1 0 0 0 37 40 1 0 0 0 37 38 2 0 0 0 38 78 1 0 0 0 41 79 1 0 0 0 M END $$$$