CIX Converted by convert_cif2sdf.py 2024/03/29 11:09:15 77 77 0 0 0 0 0 0 0 0999 V2000 8.2180 -0.6931 1.1157 C 0 0 0 0 0 9.3125 -0.0853 1.7032 C 0 0 0 0 0 9.6832 1.1892 1.3182 C 0 0 0 0 0 8.9612 1.8559 0.3468 C 0 0 0 0 0 7.8667 1.2491 -0.2397 C 0 0 0 0 0 7.4951 -0.0264 0.1443 C 0 0 0 0 0 6.3024 -0.6889 -0.4952 C 0 0 0 0 0 5.1069 -0.3727 0.2668 O 0 0 0 0 0 3.9454 -0.8910 -0.1749 C 0 0 0 0 0 3.9312 -1.5888 -1.1694 O 0 0 0 0 0 2.7996 -0.6365 0.4864 N 0 0 0 0 0 1.5224 -1.1087 -0.0539 C 0 0 0 0 0 0.4166 -0.1858 0.3913 C 0 0 0 0 0 0.6200 0.6219 1.2736 O 0 0 0 0 0 1.2429 -2.5226 0.4588 C 0 0 0 0 0 -0.0124 -3.0725 -0.2221 C 0 0 0 0 0 0.2573 -3.2595 -1.7166 C 0 0 0 0 0 -0.3820 -4.4199 0.4018 C 0 0 0 0 0 -0.7963 -0.2574 -0.1906 N 0 0 0 0 0 -1.8357 0.7146 0.1585 C 0 0 0 0 0 -3.1933 0.1143 -0.1004 C 0 0 0 0 0 -3.2843 -1.0142 -0.5342 O 0 0 0 0 0 -1.6634 1.9733 -0.6939 C 0 0 0 0 0 -0.3389 2.6521 -0.3400 C 0 0 0 0 0 -0.1066 3.8389 -1.2775 C 0 0 0 0 0 -0.3896 3.1470 1.1065 C 0 0 0 0 0 -5.6260 0.2487 -0.1013 C 0 0 0 0 0 -6.5482 0.5421 1.0832 C 0 0 0 0 0 -7.9268 -0.0669 0.8206 C 0 0 0 0 0 -7.8082 -1.5917 0.7675 C 0 0 0 0 0 -8.8841 0.3315 1.9448 C 0 0 0 0 0 -4.3064 0.8316 0.1504 N 0 0 0 0 0 -6.2343 0.8745 -1.4063 B 0 0 0 0 0 -7.1212 0.1122 -2.2129 O 0 0 0 0 0 -5.8992 2.2017 -1.7801 O 0 0 0 0 0 7.9303 -1.6907 1.4130 H 0 0 0 0 0 9.8765 -0.6062 2.4622 H 0 0 0 0 0 10.5380 1.6648 1.7771 H 0 0 0 0 0 9.2510 2.8524 0.0466 H 0 0 0 0 0 7.3016 1.7700 -0.9988 H 0 0 0 0 0 6.1888 -0.3251 -1.5166 H 0 0 0 0 0 6.4500 -1.7688 -0.5085 H 0 0 0 0 0 2.8204 -0.1413 1.3200 H 0 0 0 0 0 1.5701 -1.1193 -1.1429 H 0 0 0 0 0 2.0922 -3.1663 0.2297 H 0 0 0 0 0 1.0878 -2.4943 1.5367 H 0 0 0 0 0 -0.8363 -2.3721 -0.0867 H 0 0 0 0 0 -0.6576 -3.5805 -2.2131 H 0 0 0 0 0 0.5921 -2.3149 -2.1457 H 0 0 0 0 0 1.0314 -4.0151 -1.8542 H 0 0 0 0 0 -0.5749 -4.2870 1.4662 H 0 0 0 0 0 -1.2755 -4.8121 -0.0833 H 0 0 0 0 0 0.4419 -5.1212 0.2664 H 0 0 0 0 0 -0.9822 -0.9522 -0.8412 H 0 0 0 0 0 -1.7488 0.9757 1.2139 H 0 0 0 0 0 -1.6613 1.7007 -1.7490 H 0 0 0 0 0 -2.4867 2.6602 -0.4984 H 0 0 0 0 0 0.4769 1.9371 -0.4515 H 0 0 0 0 0 -0.9225 4.5539 -1.1660 H 0 0 0 0 0 0.8370 4.3222 -1.0256 H 0 0 0 0 0 -0.0708 3.4870 -2.3086 H 0 0 0 0 0 0.5550 3.6303 1.3584 H 0 0 0 0 0 -1.2044 3.8620 1.2180 H 0 0 0 0 0 -0.5542 2.3016 1.7741 H 0 0 0 0 0 -5.5283 -0.8303 -0.2275 H 0 0 0 0 0 -6.1252 0.1079 1.9894 H 0 0 0 0 0 -6.6458 1.6211 1.2084 H 0 0 0 0 0 -8.3112 0.3001 -0.1316 H 0 0 0 0 0 -8.7904 -2.0258 0.5808 H 0 0 0 0 0 -7.1261 -1.8766 -0.0335 H 0 0 0 0 0 -7.4239 -1.9598 1.7197 H 0 0 0 0 0 -8.9684 1.4175 1.9823 H 0 0 0 0 0 -9.8663 -0.1025 1.7580 H 0 0 0 0 0 -8.4997 -0.0356 2.8969 H 0 0 0 0 0 -4.2329 1.7346 0.4966 H 0 0 0 0 0 -7.2895 -0.7791 -1.8783 H 0 0 0 0 0 -5.2897 2.6408 -1.1707 H 0 0 0 0 0 31 29 1 0 0 0 30 29 1 0 0 0 29 28 1 0 0 0 28 27 1 0 0 0 33 27 1 0 0 0 33 34 1 0 0 0 33 35 1 0 0 0 27 32 1 0 0 0 32 21 1 0 0 0 17 16 1 0 0 0 21 22 2 0 0 0 21 20 1 0 0 0 15 16 1 0 0 0 15 12 1 0 0 0 16 18 1 0 0 0 20 19 1 0 0 0 20 23 1 0 0 0 14 13 2 0 0 0 13 19 1 0 0 0 13 12 1 0 0 0 12 11 1 0 0 0 23 24 1 0 0 0 11 9 1 0 0 0 25 24 1 0 0 0 24 26 1 0 0 0 9 8 1 0 0 0 9 10 2 0 0 0 8 7 1 0 0 0 7 6 1 0 0 0 1 6 2 0 0 0 1 2 1 0 0 0 6 5 1 0 0 0 5 4 2 0 0 0 2 3 2 0 0 0 4 3 1 0 0 0 30 69 1 0 0 0 30 70 1 0 0 0 30 71 1 0 0 0 29 68 1 0 0 0 31 72 1 0 0 0 31 73 1 0 0 0 31 74 1 0 0 0 28 66 1 0 0 0 28 67 1 0 0 0 27 65 1 0 0 0 35 77 1 0 0 0 34 76 1 0 0 0 32 75 1 0 0 0 20 55 1 0 0 0 23 56 1 0 0 0 23 57 1 0 0 0 24 58 1 0 0 0 26 62 1 0 0 0 26 63 1 0 0 0 26 64 1 0 0 0 25 59 1 0 0 0 25 60 1 0 0 0 25 61 1 0 0 0 19 54 1 0 0 0 12 44 1 0 0 0 15 45 1 0 0 0 15 46 1 0 0 0 16 47 1 0 0 0 18 51 1 0 0 0 18 52 1 0 0 0 18 53 1 0 0 0 17 48 1 0 0 0 17 49 1 0 0 0 17 50 1 0 0 0 11 43 1 0 0 0 7 41 1 0 0 0 7 42 1 0 0 0 1 36 1 0 0 0 2 37 1 0 0 0 3 38 1 0 0 0 4 39 1 0 0 0 5 40 1 0 0 0 M END $$$$