96U Converted by convert_cif2sdf.py 2024/03/29 11:09:15 28 30 0 0 0 0 0 0 0 0999 V2000 -0.4072 -1.7045 -0.1897 C 0 0 0 0 0 -1.6468 -2.2900 -0.3207 C 0 0 0 0 0 -2.8014 -1.5058 -0.3673 C 0 0 0 0 0 -2.7289 -0.1453 -0.2839 C 0 0 0 0 0 -1.4745 0.4844 -0.1498 C 0 0 0 0 0 -0.3055 -0.3093 -0.0965 C 0 0 0 0 0 0.9519 0.3269 0.0389 C 0 0 0 0 0 0.9805 1.6944 0.1126 C 0 0 0 0 0 -0.2150 2.4185 0.0538 C 0 0 0 0 0 -1.3821 1.8173 -0.0608 N 0 0 0 0 0 -3.8638 0.6015 -0.3322 O 0 0 0 0 0 -0.1715 3.8048 0.1298 N 0 0 0 0 0 -1.7474 -3.6421 -0.4057 O 0 0 0 0 0 2.1309 -0.4198 0.0951 N 0 0 0 0 0 3.2654 -0.2102 -0.6462 C 0 0 0 0 0 4.1536 -1.1524 -0.2761 C 0 0 0 0 0 3.5828 -1.9190 0.6659 N 0 0 0 0 0 2.3737 -1.4875 0.9008 C 0 0 0 0 0 0.4816 -2.3174 -0.1543 H 0 0 0 0 0 -3.7655 -1.9823 -0.4705 H 0 0 0 0 0 1.9225 2.2117 0.2163 H 0 0 0 0 0 -4.2618 0.7677 0.5329 H 0 0 0 0 0 0.6804 4.2592 0.2231 H 0 0 0 0 0 -0.9931 4.3186 0.0905 H 0 0 0 0 0 -1.8461 -4.0838 0.4491 H 0 0 0 0 0 3.4179 0.5614 -1.3861 H 0 0 0 0 0 5.1521 -1.2711 -0.6695 H 0 0 0 0 0 1.6816 -1.9091 1.6148 H 0 0 0 0 0 12 9 1 0 0 0 9 8 2 0 0 0 9 10 1 0 0 0 8 7 1 0 0 0 15 16 2 0 0 0 15 14 1 0 0 0 16 17 1 0 0 0 10 5 2 0 0 0 14 7 1 0 0 0 14 18 1 0 0 0 7 6 2 0 0 0 17 18 2 0 0 0 5 6 1 0 0 0 5 4 1 0 0 0 6 1 1 0 0 0 11 4 1 0 0 0 4 3 2 0 0 0 1 2 2 0 0 0 3 2 1 0 0 0 2 13 1 0 0 0 1 19 1 0 0 0 3 20 1 0 0 0 8 21 1 0 0 0 11 22 1 0 0 0 12 23 1 0 0 0 12 24 1 0 0 0 13 25 1 0 0 0 15 26 1 0 0 0 16 27 1 0 0 0 18 28 1 0 0 0 M END $$$$