9B1 Converted by convert_cif2sdf.py 2024/03/29 11:09:15 67 72 0 0 0 0 0 0 0 0999 V2000 -4.7476 0.2842 0.1402 C 0 0 0 0 0 -2.4737 0.4384 1.3830 C 0 0 0 0 0 -3.4605 -0.1710 0.4018 C 0 0 0 0 0 -3.1197 -1.2829 -0.3343 C 0 0 0 0 0 -5.4113 -0.4335 -0.7816 C 0 0 0 0 0 -6.8032 0.1450 -1.0051 C 0 0 0 0 0 -1.8069 -1.9305 -0.1883 C 0 0 0 0 0 -1.5617 -0.6685 1.9089 C 0 0 0 0 0 -5.6310 1.4285 0.6380 C 0 0 0 0 0 -8.0684 1.9641 0.2182 C 0 0 0 0 0 -6.7368 1.5717 -0.4256 C 0 0 0 0 0 -4.4515 -1.7284 -1.3704 S 0 0 0 0 0 -1.4310 -2.7944 -0.9585 O 0 0 0 0 0 -1.0395 -1.5167 0.8454 N 0 0 0 0 0 0.3001 -1.9161 0.8949 C 0 0 0 0 0 0.6518 -3.0932 1.5447 C 0 0 0 0 0 1.9740 -3.4909 1.5950 C 0 0 0 0 0 2.9536 -2.7219 1.0008 C 0 0 0 0 0 2.6113 -1.5391 0.3455 C 0 0 0 0 0 1.2781 -1.1404 0.2901 C 0 0 0 0 0 0.9005 0.1364 -0.4158 C 0 0 0 0 0 0.6260 -0.1426 -1.7909 O 0 0 0 0 0 3.6625 -0.7108 -0.2936 C 0 0 0 0 0 4.0906 0.4871 0.3185 C 0 0 0 0 0 5.0600 1.2347 -0.2879 C 0 0 0 0 0 5.6117 0.7911 -1.5116 C 0 0 0 0 0 6.4786 1.4503 -2.0621 O 0 0 0 0 0 5.1830 -0.3558 -2.0710 N 0 0 0 0 0 4.2233 -1.1076 -1.4719 C 0 0 0 0 0 5.7635 -0.8022 -3.3396 C 0 0 0 0 0 5.5027 2.4278 0.2959 N 0 0 0 0 0 6.8346 2.5740 0.6495 C 0 0 0 0 0 7.7180 1.4965 0.5471 C 0 0 0 0 0 9.0365 1.6927 0.9118 C 0 0 0 0 0 9.4167 2.8869 1.3420 N 0 0 0 0 0 8.5586 3.8841 1.4279 C 0 0 0 0 0 7.2942 3.7432 1.0869 N 0 0 0 0 0 -6.3337 2.5817 -1.5027 C 0 0 0 0 0 -1.8740 1.1951 0.8765 H 0 0 0 0 0 -3.0150 0.8945 2.2114 H 0 0 0 0 0 -7.0338 0.1779 -2.0693 H 0 0 0 0 0 -7.5489 -0.4459 -0.4737 H 0 0 0 0 0 -0.7259 -0.2138 2.4404 H 0 0 0 0 0 -2.1260 -1.2883 2.6065 H 0 0 0 0 0 -6.0665 1.1782 1.6047 H 0 0 0 0 0 -5.0533 2.3500 0.7096 H 0 0 0 0 0 -8.3128 1.2539 1.0088 H 0 0 0 0 0 -7.9869 2.9649 0.6417 H 0 0 0 0 0 -8.8544 1.9521 -0.5361 H 0 0 0 0 0 -0.1115 -3.6982 2.0124 H 0 0 0 0 0 2.2422 -4.4055 2.1026 H 0 0 0 0 0 3.9865 -3.0355 1.0424 H 0 0 0 0 0 0.0132 0.5615 0.0527 H 0 0 0 0 0 1.7238 0.8470 -0.3472 H 0 0 0 0 0 0.3758 0.6353 -2.3070 H 0 0 0 0 0 3.6565 0.8090 1.2535 H 0 0 0 0 0 3.8981 -2.0272 -1.9356 H 0 0 0 0 0 6.5150 -0.0830 -3.6681 H 0 0 0 0 0 6.2298 -1.7780 -3.2024 H 0 0 0 0 0 4.9790 -0.8769 -4.0913 H 0 0 0 0 0 4.8775 3.1526 0.4535 H 0 0 0 0 0 7.3789 0.5345 0.1929 H 0 0 0 0 0 9.7471 0.8828 0.8457 H 0 0 0 0 0 8.9031 4.8436 1.7830 H 0 0 0 0 0 -7.0810 2.5839 -2.2963 H 0 0 0 0 0 -6.2691 3.5768 -1.0610 H 0 0 0 0 0 -5.3641 2.3037 -1.9158 H 0 0 0 0 0 34 35 2 0 0 0 34 33 1 0 0 0 35 36 1 0 0 0 33 32 2 0 0 0 36 37 2 0 0 0 37 32 1 0 0 0 32 31 1 0 0 0 31 25 1 0 0 0 25 24 2 0 0 0 25 26 1 0 0 0 24 23 1 0 0 0 27 26 2 0 0 0 26 28 1 0 0 0 18 17 2 0 0 0 18 19 1 0 0 0 17 16 1 0 0 0 23 19 1 0 0 0 23 29 2 0 0 0 19 20 2 0 0 0 28 29 1 0 0 0 28 30 1 0 0 0 16 15 2 0 0 0 20 15 1 0 0 0 20 21 1 0 0 0 15 14 1 0 0 0 21 22 1 0 0 0 14 8 1 0 0 0 14 7 1 0 0 0 8 2 1 0 0 0 13 7 2 0 0 0 7 4 1 0 0 0 2 3 1 0 0 0 4 3 2 0 0 0 4 12 1 0 0 0 3 1 1 0 0 0 12 5 1 0 0 0 1 5 2 0 0 0 1 9 1 0 0 0 5 6 1 0 0 0 9 11 1 0 0 0 6 11 1 0 0 0 11 10 1 0 0 0 11 38 1 0 0 0 2 39 1 0 0 0 2 40 1 0 0 0 6 41 1 0 0 0 6 42 1 0 0 0 8 43 1 0 0 0 8 44 1 0 0 0 9 45 1 0 0 0 9 46 1 0 0 0 10 47 1 0 0 0 10 48 1 0 0 0 10 49 1 0 0 0 16 50 1 0 0 0 17 51 1 0 0 0 18 52 1 0 0 0 21 53 1 0 0 0 21 54 1 0 0 0 22 55 1 0 0 0 24 56 1 0 0 0 29 57 1 0 0 0 30 58 1 0 0 0 30 59 1 0 0 0 30 60 1 0 0 0 31 61 1 0 0 0 33 62 1 0 0 0 34 63 1 0 0 0 36 64 1 0 0 0 38 65 1 0 0 0 38 66 1 0 0 0 38 67 1 0 0 0 M END $$$$