9CR Converted by convert_cif2sdf.py 2024/03/29 11:09:15 50 50 0 0 0 0 0 0 0 0999 V2000 -2.6024 0.0829 0.8476 C 0 0 0 0 0 -2.9735 1.5451 1.1018 C 0 0 0 0 0 -3.2994 2.2065 -0.2423 C 0 0 0 0 0 -2.0100 2.3034 -1.0612 C 0 0 0 0 0 -1.3145 0.9740 -1.0888 C 0 0 0 0 0 -1.5730 -0.0076 -0.2410 C 0 0 0 0 0 -0.8369 -1.2125 -0.3682 C 0 0 0 0 0 0.5178 -1.1944 -0.2747 C 0 0 0 0 0 1.2434 -2.3987 -0.3241 C 0 0 0 0 0 2.6040 -2.3792 -0.2303 C 0 0 0 0 0 3.2801 -1.1594 -0.0831 C 0 0 0 0 0 4.6417 -1.1409 0.0106 C 0 0 0 0 0 5.3188 0.0800 0.1579 C 0 0 0 0 0 6.6784 0.0984 0.2516 C 0 0 0 0 0 7.3485 1.3023 0.5510 C 0 0 0 0 0 -3.8524 -0.6924 0.4259 C 0 0 0 0 0 -2.0369 -0.5284 2.1321 C 0 0 0 0 0 -0.2599 0.7448 -2.1416 C 0 0 0 0 0 0.5164 -3.7090 -0.4824 C 0 0 0 0 0 4.5414 1.3695 0.2111 C 0 0 0 0 0 6.7095 2.2992 0.8358 O 0 0 0 0 0 8.6975 1.3503 0.5217 O 0 0 0 0 0 -3.8446 1.5936 1.7550 H 0 0 0 0 0 -2.1351 2.0589 1.5722 H 0 0 0 0 0 -4.0297 1.6017 -0.7803 H 0 0 0 0 0 -3.7033 3.2038 -0.0709 H 0 0 0 0 0 -2.2520 2.6054 -2.0806 H 0 0 0 0 0 -1.3513 3.0450 -0.6114 H 0 0 0 0 0 -1.3541 -2.1457 -0.5392 H 0 0 0 0 0 1.0385 -0.2551 -0.1614 H 0 0 0 0 0 3.1602 -3.3046 -0.2684 H 0 0 0 0 0 2.7229 -0.2351 -0.0451 H 0 0 0 0 0 5.1989 -2.0652 -0.0284 H 0 0 0 0 0 7.2434 -0.8087 0.0965 H 0 0 0 0 0 -4.6001 -0.6340 1.2165 H 0 0 0 0 0 -4.2570 -0.2580 -0.4893 H 0 0 0 0 0 -3.5911 -1.7353 0.2490 H 0 0 0 0 0 -2.7522 -0.3940 2.9435 H 0 0 0 0 0 -1.8554 -1.5919 1.9788 H 0 0 0 0 0 -1.1004 -0.0338 2.3880 H 0 0 0 0 0 -0.1195 1.6574 -2.7200 H 0 0 0 0 0 0.6792 0.4704 -1.6614 H 0 0 0 0 0 -0.5778 -0.0600 -2.8041 H 0 0 0 0 0 0.4111 -3.9410 -1.5421 H 0 0 0 0 0 1.0837 -4.5004 0.0076 H 0 0 0 0 0 -0.4709 -3.6350 -0.0266 H 0 0 0 0 0 4.3625 1.6432 1.2507 H 0 0 0 0 0 5.1123 2.1589 -0.2788 H 0 0 0 0 0 3.5876 1.2415 -0.3001 H 0 0 0 0 0 9.0654 2.2168 0.7410 H 0 0 0 0 0 21 15 2 0 0 0 15 14 1 0 0 0 15 22 1 0 0 0 14 13 2 0 0 0 13 12 1 0 0 0 13 20 1 0 0 0 12 11 2 0 0 0 11 10 1 0 0 0 18 5 1 0 0 0 10 9 2 0 0 0 9 19 1 0 0 0 9 8 1 0 0 0 8 7 2 0 0 0 5 4 1 0 0 0 5 6 2 0 0 0 4 3 1 0 0 0 7 6 1 0 0 0 6 1 1 0 0 0 3 2 1 0 0 0 1 17 1 0 0 0 1 2 1 0 0 0 1 16 1 0 0 0 2 23 1 0 0 0 2 24 1 0 0 0 3 25 1 0 0 0 3 26 1 0 0 0 4 27 1 0 0 0 4 28 1 0 0 0 7 29 1 0 0 0 8 30 1 0 0 0 10 31 1 0 0 0 11 32 1 0 0 0 12 33 1 0 0 0 14 34 1 0 0 0 16 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 17 40 1 0 0 0 18 41 1 0 0 0 18 42 1 0 0 0 18 43 1 0 0 0 19 44 1 0 0 0 19 45 1 0 0 0 19 46 1 0 0 0 20 47 1 0 0 0 20 48 1 0 0 0 20 49 1 0 0 0 22 50 1 0 0 0 M END $$$$