ChEBI Marvin 05101112182D 28 32 0 0 1 0 999 V2000 5.3308 -4.6050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6162 -4.1927 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6162 -3.3773 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3308 -2.9651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1709 -2.9651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8855 -3.3773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8855 -4.1927 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7206 -5.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6212 -5.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0363 -3.3773 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1709 -4.6050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0363 -4.1927 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4563 -3.3773 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7509 -4.6050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4563 -4.1927 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0363 -5.1070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8839 -4.5726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3334 -5.3014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7532 -5.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4826 -5.8643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0261 -5.8683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2174 -5.6217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4636 -2.5946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0382 -2.5706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1092 -3.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6858 -3.8519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8279 -3.0031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6000 -4.6052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13 10 1 0 0 0 0 12 10 1 0 0 0 0 1 12 1 0 0 0 0 14 12 1 0 0 0 0 12 16 1 1 0 0 0 3 4 1 0 0 0 0 2 1 1 0 0 0 0 2 3 1 0 0 0 0 5 13 1 0 0 0 0 15 13 1 0 0 0 0 15 14 1 0 0 0 0 15 11 1 6 0 0 0 15 9 1 0 0 0 0 6 5 1 0 0 0 0 7 6 1 0 0 0 0 7 11 1 6 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 2 17 1 1 0 0 0 1 18 1 0 0 0 0 20 19 2 0 0 0 0 21 19 1 0 0 0 0 14 19 1 1 0 0 0 22 8 2 0 0 0 0 13 23 1 1 0 0 0 10 24 1 6 0 0 0 1 25 1 6 0 0 0 26 25 2 0 0 0 0 25 24 1 0 0 0 0 4 10 1 0 0 0 0 3 27 1 1 0 0 0 7 28 1 6 0 0 0 M END