ChEBI Marvin 07311009032D 40 43 0 0 1 0 999 V2000 8.9173 -13.7461 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9173 -14.5711 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2028 -13.3336 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2028 -14.9836 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4884 -13.7461 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4884 -14.5711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7981 -13.7775 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7981 -14.6025 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0836 -13.3650 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0836 -15.0150 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3691 -13.7775 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3691 -14.6025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0835 -12.5400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5843 -13.2864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4350 -15.0543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0836 -15.6671 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.6379 -13.4593 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.2264 -15.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5307 -14.9836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6486 -13.3336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2029 -12.5243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3107 -12.3514 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7397 -11.5264 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7397 -12.3514 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0252 -11.1139 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0252 -12.7639 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3107 -11.5264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0729 -13.3571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3929 -12.7443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5421 -11.1257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0179 -10.3400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6622 -9.9707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6622 -9.2557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3107 -9.8764 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.5002 -16.2505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9409 -16.0325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6712 -15.8447 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 5.8808 -16.0809 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.4617 -15.6085 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.9074 -16.6352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 6 5 1 0 0 0 0 8 7 1 0 0 0 0 9 7 1 0 0 0 0 10 8 1 0 0 0 0 11 9 1 0 0 0 0 12 10 1 0 0 0 0 12 11 1 0 0 0 0 9 13 1 6 0 0 0 7 14 1 1 0 0 0 8 15 1 6 0 0 0 10 16 1 1 0 0 0 11 17 1 1 0 0 0 5 14 1 1 0 0 0 4 18 1 1 0 0 0 2 19 1 1 0 0 0 1 20 1 1 0 0 0 3 21 1 1 0 0 0 22 21 1 1 0 0 0 22 20 1 6 0 0 0 24 23 1 0 0 0 0 25 23 1 0 0 0 0 26 24 1 0 0 0 0 27 25 1 0 0 0 0 22 26 1 0 0 0 0 22 27 1 0 0 0 0 26 28 1 1 0 0 0 24 29 1 6 0 0 0 23 30 1 6 0 0 0 25 31 1 6 0 0 0 32 31 1 0 0 0 0 33 32 1 0 0 0 0 34 31 1 0 0 0 0 16 35 1 0 0 0 0 18 36 1 0 0 0 0 15 37 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 37 40 2 0 0 0 0 M CHG 5 16 1 17 1 34 1 38 -1 39 -1 M END