L42BPI -OEChem-05022321553D 19 21 0 0 0 0 0 0 0999 V2000 -3.2973 0.4302 0.0005 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.1027 1.9242 0.0001 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7469 -1.4053 0.0004 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5315 -0.4003 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8897 -0.5180 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1076 0.8811 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6090 0.6740 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7851 -1.6406 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2462 1.9757 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3980 -1.5018 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5021 1.0040 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1106 -1.2672 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2623 -0.1559 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4715 -2.6770 -0.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6434 2.9888 -0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0244 -2.5212 0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9873 1.9750 -0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9768 -1.9139 -0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3464 -0.1060 0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 12 1 0 0 0 0 2 7 2 0 0 0 0 2 9 1 0 0 0 0 3 10 2 0 0 0 0 3 13 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 6 9 2 0 0 0 0 6 11 1 0 0 0 0 8 12 2 0 0 0 0 8 14 1 0 0 0 0 9 15 1 0 0 0 0 10 16 1 0 0 0 0 11 13 2 0 0 0 0 11 17 1 0 0 0 0 12 18 1 0 0 0 0 13 19 1 0 0 0 0 M END $$$$