9BU Converted by convert_cif2sdf.py 2024/03/29 11:09:15 57 57 0 0 0 0 0 0 0 0999 V2000 -5.3432 2.3523 -1.1727 C 0 0 0 0 0 -5.6833 1.8788 0.2418 C 0 0 0 0 0 -7.2026 1.8082 0.4052 C 0 0 0 0 0 -5.0886 0.5131 0.4710 C 0 0 0 0 0 -5.8068 -0.4217 0.7372 O 0 0 0 0 0 -3.7620 0.3352 0.3793 O 0 0 0 0 0 -3.2592 -1.0074 0.6125 C 0 0 0 0 0 -1.7593 -1.0146 0.4680 C 0 0 0 0 0 -1.1716 -1.9627 -0.2185 C 0 0 0 0 0 -1.9800 -3.1164 -0.7530 C 0 0 0 0 0 0.3120 -1.8985 -0.4744 C 0 0 0 0 0 1.0485 -2.7156 0.5892 C 0 0 0 0 0 2.5322 -2.6524 0.3333 C 0 0 0 0 0 3.1712 -3.6108 -0.6388 C 0 0 0 0 0 3.2662 -1.7633 0.9552 C 0 0 0 0 0 4.7607 -1.7537 0.7629 C 0 0 0 0 0 5.1938 -0.4005 0.2610 C 0 0 0 0 0 5.5354 0.5953 1.1585 C 0 0 0 0 0 5.4821 0.3574 2.4933 O 0 0 0 0 0 5.9385 1.8549 0.6800 C 0 0 0 0 0 6.3031 2.9166 1.6206 C 0 0 0 0 0 6.2582 2.7118 2.8158 O 0 0 0 0 0 5.9912 2.0879 -0.7007 C 0 0 0 0 0 6.4229 3.4351 -1.2216 C 0 0 0 0 0 5.6513 1.0962 -1.5754 C 0 0 0 0 0 5.7178 1.3914 -3.2840 CL 0 0 0 0 0 5.2562 -0.1538 -1.1032 C 0 0 0 0 0 4.9211 -1.1321 -1.9820 O 0 0 0 0 0 -4.2611 2.4036 -1.2887 H 0 0 0 0 0 -5.7539 1.6516 -1.8991 H 0 0 0 0 0 -5.7739 3.3401 -1.3380 H 0 0 0 0 0 -5.2727 2.5805 0.9682 H 0 0 0 0 0 -7.6131 1.1065 -0.3212 H 0 0 0 0 0 -7.4455 1.4707 1.4130 H 0 0 0 0 0 -7.6333 2.7960 0.2399 H 0 0 0 0 0 -3.5286 -1.3269 1.6195 H 0 0 0 0 0 -3.6973 -1.6902 -0.1147 H 0 0 0 0 0 -1.1684 -0.2371 0.9311 H 0 0 0 0 0 -2.4230 -2.8381 -1.7094 H 0 0 0 0 0 -1.3302 -3.9813 -0.8918 H 0 0 0 0 0 -2.7699 -3.3661 -0.0453 H 0 0 0 0 0 0.5282 -2.3083 -1.4619 H 0 0 0 0 0 0.6447 -0.8616 -0.4303 H 0 0 0 0 0 0.8323 -2.3068 1.5756 H 0 0 0 0 0 0.7159 -3.7535 0.5451 H 0 0 0 0 0 2.3991 -4.2234 -1.1049 H 0 0 0 0 0 3.7018 -3.0486 -1.4071 H 0 0 0 0 0 3.8730 -4.2532 -0.1072 H 0 0 0 0 0 2.8013 -1.0384 1.6063 H 0 0 0 0 0 5.2514 -1.9622 1.7142 H 0 0 0 0 0 5.0395 -2.5175 0.0370 H 0 0 0 0 0 6.3066 0.0146 2.8652 H 0 0 0 0 0 6.6128 3.8829 1.2503 H 0 0 0 0 0 7.5033 3.4402 -1.3646 H 0 0 0 0 0 5.9291 3.6323 -2.1727 H 0 0 0 0 0 6.1471 4.2072 -0.5029 H 0 0 0 0 0 5.6640 -1.6877 -2.2550 H 0 0 0 0 0 14 13 1 0 0 0 28 27 1 0 0 0 11 12 1 0 0 0 11 9 1 0 0 0 13 12 1 0 0 0 13 15 2 0 0 0 26 25 1 0 0 0 27 25 2 0 0 0 27 17 1 0 0 0 9 8 2 0 0 0 9 10 1 0 0 0 8 7 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 25 23 1 0 0 0 17 18 2 0 0 0 7 6 1 0 0 0 23 24 1 0 0 0 23 20 2 0 0 0 6 4 1 0 0 0 18 20 1 0 0 0 18 19 1 0 0 0 20 21 1 0 0 0 4 5 2 0 0 0 4 2 1 0 0 0 3 2 1 0 0 0 2 1 1 0 0 0 21 22 2 0 0 0 1 29 1 0 0 0 1 30 1 0 0 0 1 31 1 0 0 0 2 32 1 0 0 0 3 33 1 0 0 0 3 34 1 0 0 0 3 35 1 0 0 0 7 36 1 0 0 0 7 37 1 0 0 0 8 38 1 0 0 0 10 39 1 0 0 0 10 40 1 0 0 0 10 41 1 0 0 0 11 42 1 0 0 0 11 43 1 0 0 0 12 44 1 0 0 0 12 45 1 0 0 0 14 46 1 0 0 0 14 47 1 0 0 0 14 48 1 0 0 0 15 49 1 0 0 0 16 50 1 0 0 0 16 51 1 0 0 0 19 52 1 0 0 0 21 53 1 0 0 0 24 54 1 0 0 0 24 55 1 0 0 0 24 56 1 0 0 0 28 57 1 0 0 0 M END $$$$