9QN Converted by convert_cif2sdf.py 2024/03/29 11:09:15 54 57 0 0 0 0 0 0 0 0999 V2000 5.1084 1.3686 1.4883 C 0 0 0 0 0 6.2684 1.9546 1.0128 C 0 0 0 0 0 6.5955 3.6267 1.3474 CL 0 0 0 0 0 7.1680 1.2090 0.2729 C 0 0 0 0 0 6.9066 -0.1234 0.0073 C 0 0 0 0 0 8.0346 -1.0614 -0.9215 CL 0 0 0 0 0 5.7466 -0.7093 0.4828 C 0 0 0 0 0 4.8490 0.0373 1.2228 C 0 0 0 0 0 3.3747 -0.7107 1.8334 S 0 0 0 0 0 3.6321 -2.1070 1.9012 O 0 0 0 0 0 2.9690 0.0599 2.9557 O 0 0 0 0 0 2.2051 -0.5060 0.6775 N 0 0 0 0 0 1.3519 0.6773 0.6888 C 0 0 0 0 0 0.0494 0.3119 1.3681 C 0 0 0 0 0 -0.2474 0.8508 2.4205 O 0 0 0 0 0 1.0277 1.1378 -0.7273 C 0 0 0 0 0 1.9238 0.5832 -1.8032 C 0 0 0 0 0 2.2684 -0.8924 -1.7284 C 0 0 0 0 0 2.0208 -1.5056 -0.3655 C 0 0 0 0 0 0.7034 -2.2496 -0.2539 C 0 0 0 0 0 0.6437 -3.0018 1.0782 C 0 0 0 0 0 -0.5407 -3.7998 1.1218 O 0 0 0 0 0 -0.5011 -1.3292 -0.3966 C 0 0 0 0 0 -0.7818 -0.5863 0.8288 N 0 0 0 0 0 -2.0699 -0.8205 1.5107 C 0 0 0 0 0 -3.1010 0.1427 0.9797 C 0 0 0 0 0 -3.1825 1.3560 1.4897 N 0 0 0 0 0 -4.0675 2.2316 1.0563 C 0 0 0 0 0 -4.9496 1.9039 0.0433 C 0 0 0 0 0 -4.8941 0.6370 -0.5167 C 0 0 0 0 0 -3.9455 -0.2543 -0.0387 C 0 0 0 0 0 4.4092 1.9497 2.0700 H 0 0 0 0 0 8.0727 1.6664 -0.0988 H 0 0 0 0 0 5.5423 -1.7493 0.2754 H 0 0 0 0 0 1.8404 1.4848 1.2461 H 0 0 0 0 0 -0.0211 0.9421 -0.9564 H 0 0 0 0 0 1.1243 2.2432 -0.7448 H 0 0 0 0 0 1.4555 0.7725 -2.7820 H 0 0 0 0 0 2.8661 1.1532 -1.8046 H 0 0 0 0 0 1.6765 -1.4342 -2.4738 H 0 0 0 0 0 3.3258 -1.0224 -1.9877 H 0 0 0 0 0 2.8173 -2.2555 -0.2131 H 0 0 0 0 0 0.6609 -2.9988 -1.0621 H 0 0 0 0 0 1.5190 -3.6452 1.1706 H 0 0 0 0 0 0.6310 -2.2858 1.8993 H 0 0 0 0 0 -0.6821 -4.2469 1.9676 H 0 0 0 0 0 -0.3621 -0.6598 -1.2423 H 0 0 0 0 0 -1.3840 -1.9513 -0.6274 H 0 0 0 0 0 -2.3990 -1.8430 1.3263 H 0 0 0 0 0 -1.9462 -0.6667 2.5827 H 0 0 0 0 0 -4.1054 3.2169 1.4983 H 0 0 0 0 0 -5.6753 2.6244 -0.3043 H 0 0 0 0 0 -5.5709 0.3529 -1.3090 H 0 0 0 0 0 -3.8737 -1.2499 -0.4519 H 0 0 0 0 0 29 30 2 0 0 0 29 28 1 0 0 0 30 31 1 0 0 0 6 5 1 0 0 0 28 27 2 0 0 0 4 5 2 0 0 0 4 2 1 0 0 0 3 2 1 0 0 0 5 7 1 0 0 0 31 26 2 0 0 0 2 1 2 0 0 0 27 26 1 0 0 0 26 25 1 0 0 0 7 8 2 0 0 0 22 21 1 0 0 0 1 8 1 0 0 0 8 9 1 0 0 0 23 24 1 0 0 0 23 20 1 0 0 0 25 24 1 0 0 0 21 20 1 0 0 0 24 14 1 0 0 0 20 19 1 0 0 0 9 12 1 0 0 0 9 11 2 0 0 0 9 10 2 0 0 0 12 19 1 0 0 0 12 13 1 0 0 0 14 15 2 0 0 0 14 13 1 0 0 0 19 18 1 0 0 0 13 16 1 0 0 0 18 17 1 0 0 0 16 17 1 0 0 0 1 32 1 0 0 0 4 33 1 0 0 0 7 34 1 0 0 0 13 35 1 0 0 0 16 36 1 0 0 0 16 37 1 0 0 0 17 38 1 0 0 0 17 39 1 0 0 0 18 40 1 0 0 0 18 41 1 0 0 0 19 42 1 0 0 0 20 43 1 0 0 0 21 44 1 0 0 0 21 45 1 0 0 0 22 46 1 0 0 0 23 47 1 0 0 0 23 48 1 0 0 0 25 49 1 0 0 0 25 50 1 0 0 0 28 51 1 0 0 0 29 52 1 0 0 0 30 53 1 0 0 0 31 54 1 0 0 0 M END $$$$