948 -OEChem-03282410293D 3 2 0 0 0 0 0 0 0999 V2000 1.3063 0.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.1096 0.0000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.1967 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 3 0 0 0 0 M CHG 2 1 -1 2 1 M END > 948 > 0.4 > 1 > 3 1 -0.47 2 1.96 3 -0.49 > 0 > 0 > 3 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 000003B400000001 > 0 > 0 > 21015797 1 18122345954131004327 > 45.91 1.54 0.51 0.51 0.19 0 0 0 0 -0.01 0 -0.01 0 0 > 72.503 > 32.5 > 2 5 10 $$$$