96C Converted by convert_cif2sdf.py 2024/03/29 11:09:15 51 53 0 0 0 0 0 0 0 0999 V2000 -6.4009 1.1441 0.5942 C 0 0 0 0 0 -5.2309 0.2321 0.2188 C 0 0 0 0 0 -4.0643 0.6329 0.9399 O 0 0 0 0 0 -2.9276 -0.0803 0.7208 C 0 0 0 0 0 -2.9367 -1.1397 -0.1763 C 0 0 0 0 0 -1.7853 -1.8651 -0.4006 C 0 0 0 0 0 -0.6113 -1.5329 0.2734 C 0 0 0 0 0 0.6291 -2.3111 0.0327 C 0 0 0 0 0 0.7480 -3.6676 0.0650 C 0 0 0 0 0 2.0331 -3.9764 -0.2058 N 0 0 0 0 0 2.5939 -5.3277 -0.2726 C 0 0 0 0 0 2.7398 -2.7857 -0.4131 N 0 0 0 0 0 1.9050 -1.7784 -0.2777 C 0 0 0 0 0 2.2414 -0.3410 -0.4156 C 0 0 0 0 0 1.3121 0.5445 -0.9587 C 0 0 0 0 0 1.6253 1.8868 -1.0816 C 0 0 0 0 0 0.7183 2.7511 -1.6108 O 0 0 0 0 0 -0.5380 2.2037 -2.0188 C 0 0 0 0 0 2.8671 2.3533 -0.6647 C 0 0 0 0 0 3.1736 3.6734 -0.7860 O 0 0 0 0 0 2.8480 4.5197 0.3178 C 0 0 0 0 0 3.7967 1.4718 -0.1228 C 0 0 0 0 0 5.0098 1.9295 0.2851 O 0 0 0 0 0 5.9153 0.9685 0.8323 C 0 0 0 0 0 3.4858 0.1279 0.0010 C 0 0 0 0 0 -0.6050 -0.4678 1.1724 C 0 0 0 0 0 -1.7588 0.2568 1.3889 C 0 0 0 0 0 -6.5914 1.0692 1.6646 H 0 0 0 0 0 -6.1534 2.1752 0.3403 H 0 0 0 0 0 -7.2905 0.8386 0.0434 H 0 0 0 0 0 -5.4785 -0.7989 0.4728 H 0 0 0 0 0 -5.0404 0.3070 -0.8516 H 0 0 0 0 0 -3.8469 -1.3966 -0.6973 H 0 0 0 0 0 -1.7939 -2.6903 -1.0979 H 0 0 0 0 0 -0.0456 -4.3715 0.2708 H 0 0 0 0 0 2.5116 -5.7057 -1.2909 H 0 0 0 0 0 3.6431 -5.3010 0.0216 H 0 0 0 0 0 2.0448 -5.9836 0.4036 H 0 0 0 0 0 0.3470 0.1832 -1.2829 H 0 0 0 0 0 -0.3728 1.4469 -2.7853 H 0 0 0 0 0 -1.0321 1.7492 -1.1602 H 0 0 0 0 0 -1.1659 2.9977 -2.4217 H 0 0 0 0 0 3.3777 4.1764 1.2070 H 0 0 0 0 0 3.1440 5.5431 0.0906 H 0 0 0 0 0 1.7735 4.4835 0.4989 H 0 0 0 0 0 5.4663 0.5056 1.7108 H 0 0 0 0 0 6.1268 0.2025 0.0867 H 0 0 0 0 0 6.8434 1.4644 1.1178 H 0 0 0 0 0 4.2068 -0.5556 0.4263 H 0 0 0 0 0 0.3029 -0.2082 1.6964 H 0 0 0 0 0 -1.7529 1.0845 2.0821 H 0 0 0 0 0 18 17 1 0 0 0 17 16 1 0 0 0 21 20 1 0 0 0 20 19 1 0 0 0 16 19 2 0 0 0 16 15 1 0 0 0 19 22 1 0 0 0 15 14 2 0 0 0 22 23 1 0 0 0 22 25 2 0 0 0 23 24 1 0 0 0 14 25 1 0 0 0 14 13 1 0 0 0 12 13 2 0 0 0 12 10 1 0 0 0 13 8 1 0 0 0 10 11 1 0 0 0 10 9 1 0 0 0 6 5 2 0 0 0 6 7 1 0 0 0 8 9 2 0 0 0 8 7 1 0 0 0 5 4 1 0 0 0 7 26 2 0 0 0 4 3 1 0 0 0 4 27 2 0 0 0 26 27 1 0 0 0 3 2 1 0 0 0 2 1 1 0 0 0 1 28 1 0 0 0 1 29 1 0 0 0 1 30 1 0 0 0 2 31 1 0 0 0 2 32 1 0 0 0 5 33 1 0 0 0 6 34 1 0 0 0 9 35 1 0 0 0 11 36 1 0 0 0 11 37 1 0 0 0 11 38 1 0 0 0 15 39 1 0 0 0 18 40 1 0 0 0 18 41 1 0 0 0 18 42 1 0 0 0 21 43 1 0 0 0 21 44 1 0 0 0 21 45 1 0 0 0 24 46 1 0 0 0 24 47 1 0 0 0 24 48 1 0 0 0 25 49 1 0 0 0 26 50 1 0 0 0 27 51 1 0 0 0 M END $$$$