787 -OEChem-09032120383D 5 4 0 0 0 0 0 0 0999 V2000 0.7247 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7247 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9138 -0.9070 0.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9138 0.7044 0.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8842 0.1688 -0.9439 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 M END > 787 > 0.4 > 1 > 5 1 -0.3 2 -0.82 3 0.36 4 0.36 5 0.4 > 0 > 0 > 2 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 0000031300000001 > -2.8025 > 0 > 260 1 8574713502791432449 > 30.31 1.03 0.5 0.5 0 0 0 0 0 -0.01 0 -0.01 0 0 > 39.111 > 25.2 > 2 5 10 $$$$