JDS Converted by convert_cif2sdf.py 2024/03/29 11:09:15 55 58 0 0 0 0 0 0 0 0999 V2000 -1.4785 -4.5146 1.3069 CL 0 0 0 0 0 -4.5271 1.0230 -0.7461 C 0 0 0 0 0 -4.7996 -0.2572 -0.9368 N 0 0 0 0 0 4.3513 -1.8544 -0.8781 O 0 0 0 0 0 -5.4585 2.0235 -1.3845 C 0 0 0 0 0 -1.4926 0.8119 1.3126 N 0 0 0 0 0 8.0410 1.3362 -1.7440 O 0 0 0 0 0 -5.2956 3.3977 -0.7385 C 0 0 0 0 0 4.9535 0.3495 -0.1664 N 0 0 0 0 0 -3.8060 3.7613 -0.7448 C 0 0 0 0 0 5.5112 -1.9125 -1.6874 N 0 0 0 0 0 -3.0868 2.8571 0.2535 C 0 0 0 0 0 -3.4314 1.4126 0.0029 C 0 0 0 0 0 -4.0487 -1.2345 -0.4286 C 0 0 0 0 0 -2.9085 -0.9141 0.3461 C 0 0 0 0 0 -2.5995 0.4463 0.5619 C 0 0 0 0 0 -4.3666 -2.5870 -0.6478 C 0 0 0 0 0 -3.5797 -3.5609 -0.1163 C 0 0 0 0 0 -2.4570 -3.2422 0.6462 C 0 0 0 0 0 -2.1178 -1.9420 0.8784 C 0 0 0 0 0 -0.2738 0.8087 0.4916 C 0 0 0 0 0 0.9379 1.1121 1.3754 C 0 0 0 0 0 2.2063 1.1073 0.5202 C 0 0 0 0 0 3.4179 1.4108 1.4039 C 0 0 0 0 0 4.6678 1.4075 0.5615 C 0 0 0 0 0 5.4966 2.5168 0.5673 C 0 0 0 0 0 6.6454 2.5132 -0.2075 C 0 0 0 0 0 6.9276 1.3844 -0.9688 C 0 0 0 0 0 6.0438 0.2996 -0.9253 C 0 0 0 0 0 6.3238 -0.9074 -1.7255 C 0 0 0 0 0 3.8052 -2.6520 -0.9140 H 0 0 0 0 0 -5.2328 2.0965 -2.4484 H 0 0 0 0 0 -6.4881 1.6877 -1.2587 H 0 0 0 0 0 -1.3879 0.2129 2.1179 H 0 0 0 0 0 8.8191 0.9793 -1.2927 H 0 0 0 0 0 -5.8570 4.1391 -1.3072 H 0 0 0 0 0 -5.6626 3.3667 0.2874 H 0 0 0 0 0 -3.3943 3.6084 -1.7424 H 0 0 0 0 0 -3.6824 4.8040 -0.4522 H 0 0 0 0 0 -2.0105 2.9934 0.1494 H 0 0 0 0 0 -3.3864 3.1276 1.2665 H 0 0 0 0 0 -5.2338 -2.8514 -1.2353 H 0 0 0 0 0 -3.8282 -4.5981 -0.2864 H 0 0 0 0 0 -1.2460 -1.7051 1.4693 H 0 0 0 0 0 -0.1512 -0.1710 0.0298 H 0 0 0 0 0 -0.3569 1.5685 -0.2844 H 0 0 0 0 0 0.8145 2.0908 1.8383 H 0 0 0 0 0 1.0201 0.3513 2.1525 H 0 0 0 0 0 2.3297 0.1288 0.0582 H 0 0 0 0 0 2.1231 1.8682 -0.2559 H 0 0 0 0 0 3.2944 2.3905 1.8668 H 0 0 0 0 0 3.5011 0.6510 2.1809 H 0 0 0 0 0 5.2489 3.3785 1.1701 H 0 0 0 0 0 7.3057 3.3675 -0.2189 H 0 0 0 0 0 7.2087 -0.9516 -2.3434 H 0 0 0 0 0 22 21 1 0 0 0 22 23 1 0 0 0 21 6 1 0 0 0 6 16 1 0 0 0 23 24 1 0 0 0 1 19 1 0 0 0 24 25 1 0 0 0 16 15 2 0 0 0 16 13 1 0 0 0 20 15 1 0 0 0 20 19 2 0 0 0 12 13 1 0 0 0 12 10 1 0 0 0 15 14 1 0 0 0 19 18 1 0 0 0 13 2 2 0 0 0 10 8 1 0 0 0 25 9 2 0 0 0 25 26 1 0 0 0 9 29 1 0 0 0 14 17 1 0 0 0 14 3 2 0 0 0 18 17 2 0 0 0 2 3 1 0 0 0 2 5 1 0 0 0 8 5 1 0 0 0 26 27 2 0 0 0 29 30 1 0 0 0 29 28 2 0 0 0 30 11 2 0 0 0 27 28 1 0 0 0 11 4 1 0 0 0 28 7 1 0 0 0 4 31 1 0 0 0 5 32 1 0 0 0 5 33 1 0 0 0 6 34 1 0 0 0 7 35 1 0 0 0 8 36 1 0 0 0 8 37 1 0 0 0 10 38 1 0 0 0 10 39 1 0 0 0 12 40 1 0 0 0 12 41 1 0 0 0 17 42 1 0 0 0 18 43 1 0 0 0 20 44 1 0 0 0 21 45 1 0 0 0 21 46 1 0 0 0 22 47 1 0 0 0 22 48 1 0 0 0 23 49 1 0 0 0 23 50 1 0 0 0 24 51 1 0 0 0 24 52 1 0 0 0 26 53 1 0 0 0 27 54 1 0 0 0 30 55 1 0 0 0 M END $$$$