9AC Converted by convert_cif2sdf.py 2024/03/29 11:09:15 25 27 0 0 0 0 0 0 0 0999 V2000 2.3779 -0.9650 0.0078 C 0 0 0 0 0 3.5203 -0.2268 0.0095 C 0 0 0 0 0 3.4872 1.1671 0.0097 C 0 0 0 0 0 2.3171 1.8553 0.0090 C 0 0 0 0 0 -2.4468 1.8734 0.0042 C 0 0 0 0 0 -3.6231 1.1946 0.0030 C 0 0 0 0 0 -3.6662 -0.1994 0.0028 C 0 0 0 0 0 -2.5294 -0.9475 0.0031 C 0 0 0 0 0 -0.0756 -1.0445 0.0037 C 0 0 0 0 0 -0.0651 1.7986 0.0066 N 0 0 0 0 0 -1.2275 1.1591 0.0051 C 0 0 0 0 0 -1.2798 -0.3069 0.0036 C 0 0 0 0 0 1.1337 -0.3159 0.0104 C 0 0 0 0 0 1.0917 1.1505 0.0080 C 0 0 0 0 0 -0.0817 -2.5118 0.0021 C 0 0 0 0 0 -1.1296 -3.1142 0.1013 O 0 0 0 0 0 2.4279 -2.0446 0.0070 H 0 0 0 0 0 4.4750 -0.7317 0.0107 H 0 0 0 0 0 4.4182 1.7147 0.0100 H 0 0 0 0 0 2.3213 2.9352 0.0088 H 0 0 0 0 0 -2.4436 2.9532 0.0041 H 0 0 0 0 0 -4.5496 1.7490 0.0034 H 0 0 0 0 0 -4.6243 -0.6970 0.0011 H 0 0 0 0 0 -2.5879 -2.0257 0.0012 H 0 0 0 0 0 0.8479 -3.0556 -0.0813 H 0 0 0 0 0 1 2 2 0 0 0 1 13 1 0 0 0 1 17 1 0 0 0 2 3 1 0 0 0 2 18 1 0 0 0 3 4 2 0 0 0 3 19 1 0 0 0 4 14 1 0 0 0 4 20 1 0 0 0 5 6 2 0 0 0 5 11 1 0 0 0 5 21 1 0 0 0 6 7 1 0 0 0 6 22 1 0 0 0 7 8 2 0 0 0 7 23 1 0 0 0 8 12 1 0 0 0 8 24 1 0 0 0 9 12 2 0 0 0 9 13 1 0 0 0 9 15 1 0 0 0 10 11 2 0 0 0 10 14 1 0 0 0 11 12 1 0 0 0 13 14 2 0 0 0 15 16 2 0 0 0 15 25 1 0 0 0 M END $$$$