1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44
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ACCLDraw04231812412D
12 12 0 0 0 0 0 0 0 0999 V2000
5.0960 -4.3327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4016 -4.3321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0960 -5.6718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2539 -6.3314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2510 -2.3329 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
7.4056 -1.6662 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
5.0963 -1.6662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2510 -3.6663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5505 -6.3291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5505 -7.6624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.7052 -5.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4016 -5.6658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3 4 2 0 0 0 0
1 3 1 0 0 0 0
5 8 1 0 0 0 0
5 7 2 0 0 0 0
5 6 1 0 0 0 0
1 8 2 0 0 0 0
2 8 1 0 0 0 0
9 12 1 0 0 0 0
9 11 2 0 0 0 0
9 10 1 0 0 0 0
4 12 1 0 0 0 0
2 12 2 0 0 0 0
G 5 8
NO2
G 9 12
COOH
M CHG 2 5 1 6 -1
M STY 2 1 SUP 2 SUP
M SLB 2 1 1 2 2
M SAL 1 3 5 6 7
M SBL 1 1 3
M SMT 1 NO2
M SBV 1 3 0.0000 -1.3334
M SAL 2 3 9 10 11
M SBL 2 1 8
M SMT 2 COOH
M SBV 2 8 -1.1490 0.6634
M END
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