J3I Converted by convert_cif2sdf.py 2024/03/29 11:09:15 61 63 0 0 0 0 0 0 0 0999 V2000 -6.2766 -1.3434 0.3072 C 0 0 0 0 0 -4.8763 -1.6173 -0.2506 C 0 0 0 0 0 -3.8915 -0.6025 0.3352 C 0 0 0 0 0 -2.4847 -0.8948 -0.1930 C 0 0 0 0 0 -0.2145 -0.0781 0.1475 C 0 0 0 0 0 0.7739 0.8416 0.8176 C 0 0 0 0 0 2.6426 1.7831 -0.3422 C 0 0 0 0 0 2.7922 -0.5982 0.4412 C 0 0 0 0 0 4.1831 -0.7379 -0.1228 C 0 0 0 0 0 5.1899 -0.1067 0.8404 C 0 0 0 0 0 6.5632 -0.1374 0.2217 C 0 0 0 0 0 8.2549 0.8941 -1.1236 C 0 0 0 0 0 7.3905 -1.2256 0.4277 C 0 0 0 0 0 -8.7052 -0.6052 -0.9100 N 0 0 0 0 0 -7.7948 0.3793 -0.6071 C 0 0 0 0 0 0.1676 -0.8863 -0.6717 O 0 0 0 0 0 6.9949 0.9214 -0.5559 C 0 0 0 0 0 9.0842 -0.1921 -0.9136 C 0 0 0 0 0 8.6505 -1.2530 -0.1400 C 0 0 0 0 0 -4.3070 0.8112 -0.0768 C 0 0 0 0 0 -5.7009 1.1120 0.4824 C 0 0 0 0 0 0.4439 2.3093 0.4720 C 0 0 0 0 0 1.8474 2.9479 0.2975 C 0 0 0 0 0 -8.0403 1.6167 -0.9346 N 0 0 0 0 0 -6.6254 0.0595 0.0420 N 0 0 0 0 0 -1.5237 -0.0010 0.4585 N 0 0 0 0 0 2.1288 0.5689 0.3165 N 0 0 0 0 0 4.4988 -2.1617 -0.2985 N 0 0 0 0 0 2.2703 -1.5353 1.0062 O 0 0 0 0 0 -6.9983 -1.9977 -0.1814 H 0 0 0 0 0 -6.2851 -1.5267 1.3808 H 0 0 0 0 0 -4.5661 -2.6251 0.0239 H 0 0 0 0 0 -4.8924 -1.5228 -1.3363 H 0 0 0 0 0 -3.8941 -0.6795 1.4224 H 0 0 0 0 0 -2.2236 -1.9300 0.0237 H 0 0 0 0 0 -2.4606 -0.7318 -1.2701 H 0 0 0 0 0 0.7411 0.6969 1.8972 H 0 0 0 0 0 2.4558 1.7400 -1.4158 H 0 0 0 0 0 3.7085 1.8996 -0.1484 H 0 0 0 0 0 4.2368 -0.2327 -1.0868 H 0 0 0 0 0 4.9036 0.9259 1.0397 H 0 0 0 0 0 5.1994 -0.6689 1.7743 H 0 0 0 0 0 8.5910 1.7206 -1.7312 H 0 0 0 0 0 7.0524 -2.0542 1.0313 H 0 0 0 0 0 -8.4918 -1.5344 -0.7312 H 0 0 0 0 0 -9.5610 -0.3703 -1.3018 H 0 0 0 0 0 6.3469 1.7701 -0.7209 H 0 0 0 0 0 10.0683 -0.2143 -1.3573 H 0 0 0 0 0 9.2975 -2.1027 0.0210 H 0 0 0 0 0 -3.5924 1.5316 0.3211 H 0 0 0 0 0 -4.3285 0.8827 -1.1640 H 0 0 0 0 0 -5.6616 1.1313 1.5715 H 0 0 0 0 0 -6.0421 2.0791 0.1127 H 0 0 0 0 0 -0.1252 2.3679 -0.4567 H 0 0 0 0 0 -0.0984 2.7852 1.2890 H 0 0 0 0 0 2.2715 3.2280 1.2610 H 0 0 0 0 0 1.8045 3.8071 -0.3736 H 0 0 0 0 0 -7.3664 2.2997 -0.7912 H 0 0 0 0 0 -1.8295 0.6457 1.1130 H 0 0 0 0 0 4.4560 -2.6532 0.5813 H 0 0 0 0 0 3.8878 -2.5867 -0.9798 H 0 0 0 0 0 24 15 2 0 0 0 14 15 1 0 0 0 15 25 1 0 0 0 25 1 1 0 0 0 25 21 1 0 0 0 1 2 1 0 0 0 21 20 1 0 0 0 2 3 1 0 0 0 13 19 2 0 0 0 13 11 1 0 0 0 20 3 1 0 0 0 19 18 1 0 0 0 3 4 1 0 0 0 29 8 2 0 0 0 10 11 1 0 0 0 10 9 1 0 0 0 11 17 2 0 0 0 28 9 1 0 0 0 18 12 2 0 0 0 8 9 1 0 0 0 8 27 1 0 0 0 26 4 1 0 0 0 26 5 1 0 0 0 17 12 1 0 0 0 6 27 1 0 0 0 6 5 1 0 0 0 6 22 1 0 0 0 27 7 1 0 0 0 5 16 2 0 0 0 7 23 1 0 0 0 22 23 1 0 0 0 1 30 1 0 0 0 1 31 1 0 0 0 2 32 1 0 0 0 2 33 1 0 0 0 3 34 1 0 0 0 4 35 1 0 0 0 4 36 1 0 0 0 6 37 1 0 0 0 7 38 1 0 0 0 7 39 1 0 0 0 9 40 1 0 0 0 10 41 1 0 0 0 10 42 1 0 0 0 12 43 1 0 0 0 13 44 1 0 0 0 14 45 1 0 0 0 14 46 1 0 0 0 17 47 1 0 0 0 18 48 1 0 0 0 19 49 1 0 0 0 20 50 1 0 0 0 20 51 1 0 0 0 21 52 1 0 0 0 21 53 1 0 0 0 22 54 1 0 0 0 22 55 1 0 0 0 23 56 1 0 0 0 23 57 1 0 0 0 24 58 1 0 0 0 26 59 1 0 0 0 28 60 1 0 0 0 28 61 1 0 0 0 M END $$$$