9J2 Converted by convert_cif2sdf.py 2024/03/29 11:09:15 51 54 0 0 0 0 0 0 0 0999 V2000 -3.5278 -2.0715 -2.5414 C 0 0 0 0 0 -2.1895 -2.0410 -1.9793 O 0 0 0 0 0 -2.0385 -2.5275 -0.7375 C 0 0 0 0 0 -2.9647 -3.0721 -0.1859 O 0 0 0 0 0 -0.7141 -2.3944 -0.0317 C 0 0 0 0 0 0.0852 -3.6888 -0.1998 C 0 0 0 0 0 -0.9522 -2.1314 1.4562 C 0 0 0 0 0 -1.8225 -0.9619 1.6204 N 0 0 0 0 0 0.3576 -1.8294 2.1384 C 0 0 0 0 0 0.9156 -2.4909 3.1113 N 0 0 0 0 0 2.0087 -1.9071 3.4593 N 0 0 0 0 0 2.2076 -0.8504 2.7146 C 0 0 0 0 0 3.3618 0.1135 2.8138 C 0 0 0 0 0 1.1735 -0.7887 1.8355 N 0 0 0 0 0 0.9866 0.1262 0.7974 C 0 0 0 0 0 2.1066 0.5913 0.1213 C 0 0 0 0 0 1.9701 1.4736 -0.9386 C 0 0 0 0 0 3.0705 1.9257 -1.5934 O 0 0 0 0 0 2.8544 2.8335 -2.6754 C 0 0 0 0 0 0.7047 1.8955 -1.3303 C 0 0 0 0 0 -0.4095 1.4519 -0.6585 C 0 0 0 0 0 -0.2860 0.5704 0.4278 C 0 0 0 0 0 -1.5038 0.1954 1.1504 C 0 0 0 0 0 -2.4913 1.2776 1.3664 C 0 0 0 0 0 -3.8465 0.9743 1.4954 C 0 0 0 0 0 -4.7618 1.9870 1.6967 C 0 0 0 0 0 -4.3368 3.3023 1.7703 C 0 0 0 0 0 -5.4937 4.5725 2.0248 CL 0 0 0 0 0 -2.9930 3.6099 1.6436 C 0 0 0 0 0 -2.0679 2.6051 1.4478 C 0 0 0 0 0 -4.2122 -1.5408 -1.8794 H 0 0 0 0 0 -3.5229 -1.5910 -3.5199 H 0 0 0 0 0 -3.8538 -3.1068 -2.6476 H 0 0 0 0 0 -0.1545 -1.5648 -0.4631 H 0 0 0 0 0 -0.4741 -4.5199 0.2316 H 0 0 0 0 0 0.2554 -3.8765 -1.2596 H 0 0 0 0 0 1.0433 -3.5931 0.3108 H 0 0 0 0 0 -1.4169 -3.0044 1.9155 H 0 0 0 0 0 4.1739 -0.2256 2.1690 H 0 0 0 0 0 3.0361 1.1040 2.4963 H 0 0 0 0 0 3.7111 0.1572 3.8450 H 0 0 0 0 0 3.0911 0.2638 0.4223 H 0 0 0 0 0 3.8135 3.1149 -3.1096 H 0 0 0 0 0 2.2387 2.3524 -3.4351 H 0 0 0 0 0 2.3471 3.7244 -2.3068 H 0 0 0 0 0 0.5967 2.5737 -2.1635 H 0 0 0 0 0 -1.3885 1.7840 -0.9699 H 0 0 0 0 0 -4.1788 -0.0512 1.4376 H 0 0 0 0 0 -5.8112 1.7529 1.7960 H 0 0 0 0 0 -2.6662 4.6380 1.7020 H 0 0 0 0 0 -1.0199 2.8451 1.3530 H 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 3 5 1 0 0 0 6 5 1 0 0 0 5 7 1 0 0 0 7 8 1 0 0 0 7 9 1 0 0 0 10 9 2 0 0 0 10 11 1 0 0 0 8 23 2 0 0 0 9 14 1 0 0 0 25 26 2 0 0 0 25 24 1 0 0 0 11 12 2 0 0 0 23 24 1 0 0 0 23 22 1 0 0 0 26 27 1 0 0 0 14 12 1 0 0 0 14 15 1 0 0 0 24 30 2 0 0 0 12 13 1 0 0 0 22 15 2 0 0 0 22 21 1 0 0 0 15 16 1 0 0 0 27 28 1 0 0 0 27 29 2 0 0 0 21 20 2 0 0 0 30 29 1 0 0 0 16 17 2 0 0 0 20 17 1 0 0 0 17 18 1 0 0 0 18 19 1 0 0 0 1 31 1 0 0 0 1 32 1 0 0 0 1 33 1 0 0 0 5 34 1 0 0 0 6 35 1 0 0 0 6 36 1 0 0 0 6 37 1 0 0 0 7 38 1 0 0 0 13 39 1 0 0 0 13 40 1 0 0 0 13 41 1 0 0 0 16 42 1 0 0 0 19 43 1 0 0 0 19 44 1 0 0 0 19 45 1 0 0 0 20 46 1 0 0 0 21 47 1 0 0 0 25 48 1 0 0 0 26 49 1 0 0 0 29 50 1 0 0 0 30 51 1 0 0 0 M END $$$$