Marvin 04131015162D 31 28 0 0 1 0 999 V2000 17.7667 -11.3657 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.4952 -10.9471 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.0676 -10.9177 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.7375 -12.1904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2028 -11.3657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4952 -10.1265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3265 -11.3281 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.0676 -10.0931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9312 -10.9890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2028 -12.1904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6232 -10.9177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3057 -12.1613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9312 -10.1600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6513 -11.4033 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 14.8948 -11.2903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7751 -7.6647 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.5036 -7.2461 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.0760 -7.2169 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.7458 -8.4895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2111 -7.6647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5036 -6.4255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3349 -7.6271 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.0760 -6.3921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9396 -7.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2111 -8.4895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6316 -7.2169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3140 -8.4602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9396 -6.4590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6597 -7.7025 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 14.9031 -7.5895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3217 -9.2138 0.0000 Ca 0 2 0 0 0 0 0 0 0 0 0 0 9 14 1 0 0 0 0 11 15 1 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 1 0 0 0 2 5 1 0 0 0 0 2 6 1 1 0 0 0 3 7 1 0 0 0 0 3 8 1 1 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 6 0 0 0 9 13 2 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 1 0 0 0 17 20 1 0 0 0 0 17 21 1 1 0 0 0 18 22 1 0 0 0 0 18 23 1 1 0 0 0 20 24 1 0 0 0 0 20 25 1 0 0 0 0 22 26 1 0 0 0 0 22 27 1 6 0 0 0 24 28 2 0 0 0 0 24 29 1 0 0 0 0 26 30 1 0 0 0 0 M CHG 3 14 -1 29 -1 31 2 M END