ChEBI Marvin 02211114522D 31 33 0 0 1 0 999 V2000 14.9910 -8.8655 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2001 -8.6120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3703 -10.0765 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.4752 -8.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2001 -7.7796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4811 -9.0358 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.6930 -9.5769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1207 -10.8446 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.9947 -7.5260 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.4811 -7.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7660 -8.6120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0233 -10.0575 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2844 -10.8446 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6088 -11.5106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7660 -7.7796 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.4774 -6.5459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2476 -9.8153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8151 -11.5182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6345 -10.1786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8096 -10.1786 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 9.9847 -10.1786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8096 -9.3537 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 10.8059 -10.9998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1636 -10.1786 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 8.3387 -10.1786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1636 -9.3537 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.1636 -10.9998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5175 -10.1786 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 6.6927 -10.1786 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.5175 -9.3537 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.5175 -10.9998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 1 1 1 0 0 0 1 4 1 0 0 0 0 2 5 2 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 4 9 2 0 0 0 0 5 10 1 0 0 0 0 6 11 2 0 0 0 0 7 12 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 6 0 0 0 10 15 1 0 0 0 0 10 16 2 0 0 0 0 12 17 1 1 0 0 0 13 18 1 6 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 23 2 0 0 0 0 21 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 27 2 0 0 0 0 25 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 31 2 0 0 0 0 5 9 1 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 M CHG 4 22 -1 26 -1 29 -1 30 -1 M END