B4HU5D -OEChem-04022108313D 24 25 0 0 0 0 0 0 0999 V2000 2.1135 1.3280 0.0015 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.2256 -2.6440 0.0012 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.0944 -0.9770 1.0831 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.0752 -0.9667 -1.0913 F 0 0 0 0 0 0 0 0 0 0 0 0 1.9449 -2.3913 0.0023 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.8781 3.4881 -0.0013 O 0 5 0 0 0 0 0 0 0 0 0 0 0.3164 3.5472 0.0002 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4475 -1.7931 -0.0121 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6329 -1.1669 0.0023 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.7646 2.9146 -0.0004 N 0 3 0 0 0 0 0 0 0 0 0 0 4.9259 0.4496 0.0030 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3887 -0.6632 0.0017 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4608 0.7385 0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7263 1.4904 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9966 -0.5914 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8252 -1.3538 0.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9476 0.8038 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6130 -0.3161 0.0023 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3206 -1.2820 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0106 -0.6147 0.0033 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8535 -2.4385 0.0018 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8963 1.3385 -0.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6250 1.4190 0.0078 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9255 0.2765 -0.0025 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 18 1 0 0 0 0 2 19 1 0 0 0 0 3 19 1 0 0 0 0 4 19 1 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 7 10 2 0 0 0 0 8 20 2 0 0 0 0 9 12 1 0 0 0 0 9 18 2 0 0 0 0 10 14 1 0 0 0 0 11 20 1 0 0 0 0 11 23 1 0 0 0 0 11 24 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 14 17 2 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 15 19 1 0 0 0 0 16 21 1 0 0 0 0 17 22 1 0 0 0 0 18 20 1 0 0 0 0 M CHG 4 5 -1 6 -1 9 1 10 1 M END $$$$