C0V Converted by convert_cif2sdf.py 2024/03/29 11:09:15 28 29 0 0 0 0 0 0 0 0999 V2000 -0.4164 1.2297 -0.0076 C 0 0 0 0 0 3.2620 1.3930 -0.0021 C 0 0 0 0 0 4.1271 -0.8433 0.0120 C 0 0 0 0 0 1.7560 -0.5210 -0.0094 C 0 0 0 0 0 -5.5619 0.6632 0.0071 C 0 0 0 0 0 -4.4084 -0.2648 0.0000 C 0 0 0 0 0 -3.1461 0.2239 -0.0018 C 0 0 0 0 0 -2.0035 -0.6951 -0.0088 C 0 0 0 0 0 -0.6261 -0.1608 -0.0116 C 0 0 0 0 0 0.8399 1.7444 -0.0104 C 0 0 0 0 0 1.9527 0.8834 -0.0113 C 0 0 0 0 0 4.3198 0.5362 0.0090 C 0 0 0 0 0 2.8737 -1.3750 0.0028 C 0 0 0 0 0 0.4506 -1.0346 -0.0185 C 0 0 0 0 0 -5.3758 1.8627 0.0098 O 0 0 0 0 0 -6.8182 0.1765 0.0099 O 0 0 0 0 0 -4.6149 -1.6023 -0.0029 O 0 0 0 0 0 -2.1897 -1.8977 -0.0116 O 0 0 0 0 0 -1.2657 1.8969 -0.0071 H 0 0 0 0 0 3.4278 2.4606 -0.0046 H 0 0 0 0 0 4.9834 -1.5006 0.0205 H 0 0 0 0 0 -2.9803 1.2914 0.0008 H 0 0 0 0 0 0.9847 2.8150 -0.0128 H 0 0 0 0 0 5.3248 0.9325 0.0161 H 0 0 0 0 0 2.7379 -2.4467 0.0042 H 0 0 0 0 0 0.2858 -2.1022 -0.0171 H 0 0 0 0 0 -7.5385 0.8214 0.0143 H 0 0 0 0 0 -5.5486 -1.8558 -0.0009 H 0 0 0 0 0 13 3 2 0 0 0 13 4 1 0 0 0 3 12 1 0 0 0 18 8 2 0 0 0 14 4 2 0 0 0 14 9 1 0 0 0 4 11 1 0 0 0 12 2 2 0 0 0 17 6 1 0 0 0 8 9 1 0 0 0 8 7 1 0 0 0 9 1 2 0 0 0 11 2 1 0 0 0 11 10 2 0 0 0 6 7 2 0 0 0 6 5 1 0 0 0 1 10 1 0 0 0 15 5 2 0 0 0 5 16 1 0 0 0 1 19 1 0 0 0 2 20 1 0 0 0 3 21 1 0 0 0 7 22 1 0 0 0 10 23 1 0 0 0 12 24 1 0 0 0 13 25 1 0 0 0 14 26 1 0 0 0 16 27 1 0 0 0 17 28 1 0 0 0 M END $$$$