B93OWN -OEChem-04012118362D 38 42 0 0 0 0 0 0 0999 V2000 3.5297 2.5137 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1359 1.7090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5150 -0.4649 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0134 -0.4528 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3370 3.0419 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6050 0.0419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7389 -0.4581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6050 1.0419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7229 -1.4996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8729 0.0419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7389 1.5419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8729 1.0419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4710 1.5419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6209 -2.0273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5230 -1.5065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8457 -1.9623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4710 2.5419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5410 2.6168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6042 -3.1122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4709 -2.0345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.4445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5396 -3.6619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4792 -3.1194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6830 0.9593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0816 1.6496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0483 -0.1487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8259 -2.5820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2589 3.1245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8604 2.4343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6697 3.2233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9514 2.8086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0637 -3.4160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0042 -1.7183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4571 -1.7438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5372 -4.2819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0174 -3.4274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3370 3.6619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8739 2.7319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 18 1 0 0 0 0 2 12 1 0 0 0 0 2 18 1 0 0 0 0 3 6 1 0 0 0 0 3 15 1 0 0 0 0 3 26 1 0 0 0 0 4 10 2 0 0 0 0 4 21 1 0 0 0 0 5 17 1 0 0 0 0 5 37 1 0 0 0 0 5 38 1 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 8 11 1 0 0 0 0 8 13 1 0 0 0 0 9 14 1 0 0 0 0 9 16 1 0 0 0 0 10 12 1 0 0 0 0 11 12 2 0 0 0 0 13 17 1 0 0 0 0 13 24 1 0 0 0 0 13 25 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 20 2 0 0 0 0 16 21 2 0 0 0 0 16 27 1 0 0 0 0 17 28 1 0 0 0 0 17 29 1 0 0 0 0 18 30 1 0 0 0 0 18 31 1 0 0 0 0 19 22 1 0 0 0 0 19 32 1 0 0 0 0 20 23 1 0 0 0 0 20 33 1 0 0 0 0 21 34 1 0 0 0 0 22 23 2 0 0 0 0 22 35 1 0 0 0 0 23 36 1 0 0 0 0 M END $$$$