ChEBI Marvin 03300613432D 22 22 0 0 1 0 999 V2000 11.5568 -6.4045 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2723 -5.1723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8414 -5.1723 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2723 -6.8187 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8414 -6.8187 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9808 -5.5795 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.8448 -4.3473 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1294 -5.5795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9808 -6.4045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2723 -7.6402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8448 -7.6367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5627 -4.9943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7715 -5.7918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1294 -3.9331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5568 -3.9331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1363 -8.0475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5534 -8.0441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3602 -5.2030 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 13.3402 -4.2001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1294 -3.1116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5568 -5.5795 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5568 -4.7545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21 1 1 0 0 0 0 21 2 1 0 0 0 0 21 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 1 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 6 0 0 0 4 9 1 0 0 0 0 4 10 1 6 0 0 0 5 11 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 1 0 0 0 11 16 1 0 0 0 0 11 17 2 0 0 0 0 12 18 1 0 0 0 0 12 19 2 0 0 0 0 14 20 1 0 0 0 0 6 9 1 0 0 0 0 21 22 1 1 0 0 0 M CHG 1 18 -1 M END