J2A Converted by convert_cif2sdf.py 2024/03/29 11:09:15 69 75 0 0 0 0 0 0 0 0999 V2000 2.5062 1.1079 -0.0482 C 0 0 0 0 0 4.6176 0.2713 0.7986 C 0 0 0 0 0 7.0154 -0.2378 0.1740 C 0 0 0 0 0 8.9935 0.9263 0.0509 C 0 0 0 0 0 5.6015 -1.9251 0.0451 C 0 0 0 0 0 7.6836 -1.3965 -0.2543 C 0 0 0 0 0 -6.3672 -0.1465 -0.2061 C 0 0 0 0 0 -8.4821 -0.4722 -1.3991 C 0 0 0 0 0 -2.1208 0.8356 -0.5915 C 0 0 0 0 0 -3.0880 -0.2165 0.0020 C 0 0 0 0 0 -4.1565 0.6823 0.6718 C 0 0 0 0 0 -7.7937 -1.9942 0.2078 C 0 0 0 0 0 -7.2657 0.3119 -1.1616 C 0 0 0 0 0 -5.6216 1.7172 -1.0999 C 0 0 0 0 0 -2.1996 1.9309 0.5015 C 0 0 0 0 0 -1.6527 3.2470 -0.0178 C 0 0 0 0 0 4.0069 1.0165 -0.3984 C 0 0 0 0 0 9.0613 -1.3096 -0.5185 C 0 0 0 0 0 2.2937 0.0418 1.0344 C 0 0 0 0 0 1.3940 -1.0788 0.5097 C 0 0 0 0 0 -5.3419 0.7476 -0.1817 N 0 0 0 0 0 -6.6512 -1.3075 0.4672 N 0 0 0 0 0 -8.0404 -3.1493 0.9003 N 0 0 0 0 0 -8.6729 -1.5939 -0.6865 N 0 0 0 0 0 -6.7598 1.4559 -1.6772 N 0 0 0 0 0 5.7052 -0.6012 0.3547 N 0 0 0 0 0 7.7030 0.8915 0.3087 N 0 0 0 0 0 9.6652 -0.1383 -0.3504 N 0 0 0 0 0 9.7725 -2.4185 -0.9426 N 0 0 0 0 0 6.7631 -2.3902 -0.3119 N 0 0 0 0 0 -0.7997 0.3450 -0.7388 O 0 0 0 0 0 -2.4361 -0.9891 1.0048 O 0 0 0 0 0 -1.0151 -2.2613 -0.6526 O 0 0 0 0 0 -9.3044 -0.1125 -2.2274 O 0 0 0 0 0 -3.6000 1.9973 0.8275 O 0 0 0 0 0 -0.2393 3.1081 -0.2262 O 0 0 0 0 0 2.2179 2.4179 0.4370 O 0 0 0 0 0 4.5708 2.3249 -0.4971 O 0 0 0 0 0 3.5714 -0.5007 1.3844 O 0 0 0 0 0 0.1795 -1.1170 1.2591 O 0 0 0 0 0 0.2519 1.8755 1.9256 O 0 0 0 0 0 -1.1389 -1.9095 0.7831 P 0 0 0 0 0 0.7901 2.8968 0.9944 P 0 0 0 0 0 -1.3349 -3.6882 1.9221 S 0 0 0 0 0 1.0213 4.7310 2.0363 S 0 0 0 0 0 1.9033 0.8875 -0.9292 H 0 0 0 0 0 4.9946 0.9952 1.5227 H 0 0 0 0 0 9.5231 1.8599 0.1702 H 0 0 0 0 0 4.6904 -2.5024 0.0900 H 0 0 0 0 0 -2.5110 1.2174 -1.5339 H 0 0 0 0 0 -3.5297 -0.8276 -0.7693 H 0 0 0 0 0 -4.4121 0.2764 1.6452 H 0 0 0 0 0 -4.9948 2.5701 -1.3157 H 0 0 0 0 0 -1.6542 1.5938 1.3781 H 0 0 0 0 0 -2.1349 3.5148 -0.9565 H 0 0 0 0 0 -1.8236 4.0387 0.7167 H 0 0 0 0 0 4.1577 0.4591 -1.3182 H 0 0 0 0 0 1.8427 0.4906 1.9193 H 0 0 0 0 0 1.1761 -0.9143 -0.5430 H 0 0 0 0 0 1.9119 -2.0380 0.6190 H 0 0 0 0 0 -6.0298 -1.6416 1.1337 H 0 0 0 0 0 -7.4042 -3.4628 1.5621 H 0 0 0 0 0 -8.8506 -3.6538 0.7298 H 0 0 0 0 0 9.3204 -3.2685 -1.0623 H 0 0 0 0 0 10.7228 -2.3455 -1.1213 H 0 0 0 0 0 -0.1796 0.9878 -1.1086 H 0 0 0 0 0 5.5265 2.3307 -0.6443 H 0 0 0 0 0 -0.1980 -4.3514 1.6464 H 0 0 0 0 0 -0.2302 5.0072 2.4442 H 0 0 0 0 0 29 18 1 0 0 0 28 18 2 0 0 0 28 4 1 0 0 0 18 6 1 0 0 0 4 27 2 0 0 0 6 3 2 0 0 0 6 30 1 0 0 0 27 3 1 0 0 0 45 43 1 0 0 0 3 26 1 0 0 0 30 5 2 0 0 0 38 17 1 0 0 0 23 12 1 0 0 0 26 5 1 0 0 0 26 2 1 0 0 0 17 2 1 0 0 0 17 1 1 0 0 0 24 12 2 0 0 0 24 8 1 0 0 0 12 22 1 0 0 0 2 39 1 0 0 0 43 41 2 0 0 0 43 37 1 0 0 0 43 36 1 0 0 0 37 1 1 0 0 0 34 8 2 0 0 0 1 19 1 0 0 0 36 16 1 0 0 0 8 13 1 0 0 0 22 7 1 0 0 0 39 19 1 0 0 0 16 15 1 0 0 0 19 20 1 0 0 0 13 7 2 0 0 0 13 25 1 0 0 0 7 21 1 0 0 0 20 40 1 0 0 0 15 35 1 0 0 0 15 9 1 0 0 0 35 11 1 0 0 0 25 14 2 0 0 0 21 11 1 0 0 0 21 14 1 0 0 0 9 10 1 0 0 0 9 31 1 0 0 0 40 42 1 0 0 0 33 42 2 0 0 0 10 11 1 0 0 0 10 32 1 0 0 0 42 32 1 0 0 0 42 44 1 0 0 0 1 46 1 0 0 0 2 47 1 0 0 0 4 48 1 0 0 0 5 49 1 0 0 0 9 50 1 0 0 0 10 51 1 0 0 0 11 52 1 0 0 0 14 53 1 0 0 0 15 54 1 0 0 0 16 55 1 0 0 0 16 56 1 0 0 0 17 57 1 0 0 0 19 58 1 0 0 0 20 59 1 0 0 0 20 60 1 0 0 0 22 61 1 0 0 0 23 62 1 0 0 0 23 63 1 0 0 0 29 64 1 0 0 0 29 65 1 0 0 0 31 66 1 0 0 0 38 67 1 0 0 0 44 68 1 0 0 0 45 69 1 0 0 0 M END $$$$