LJ3PV5 -OEChem-05022321282D 44 47 0 0 0 0 0 0 0999 V2000 8.1424 0.0727 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.7320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2260 0.1340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2260 -1.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.2320 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.2320 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.2679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1424 -1.5368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7260 -0.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7260 -0.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2260 0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7260 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7260 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2260 1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2260 1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7260 2.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7260 2.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -2.2070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -2.2070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.8879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3350 -2.1261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.0779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.3521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.8879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.5420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1183 -0.4766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8086 -0.0781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.0779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0360 0.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6060 1.8660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8460 1.8660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4160 3.2690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0360 3.2690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 15 1 0 0 0 0 2 10 2 0 0 0 0 3 18 1 0 0 0 0 3 21 1 0 0 0 0 4 11 2 0 0 0 0 5 18 2 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 14 1 0 0 0 0 8 12 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 13 2 0 0 0 0 11 13 1 0 0 0 0 12 16 2 0 0 0 0 12 17 1 0 0 0 0 13 31 1 0 0 0 0 14 15 2 0 0 0 0 14 32 1 0 0 0 0 15 18 1 0 0 0 0 16 19 1 0 0 0 0 16 33 1 0 0 0 0 17 20 2 0 0 0 0 17 34 1 0 0 0 0 19 23 2 0 0 0 0 19 35 1 0 0 0 0 20 23 1 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 23 39 1 0 0 0 0 24 26 1 0 0 0 0 24 40 1 0 0 0 0 25 27 2 0 0 0 0 25 41 1 0 0 0 0 26 28 2 0 0 0 0 26 42 1 0 0 0 0 27 28 1 0 0 0 0 27 43 1 0 0 0 0 28 44 1 0 0 0 0 M END $$$$