L8QJA6 -OEChem-05022322012D 36 38 0 1 0 0 0 0 0999 V2000 8.8625 3.0135 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 7.3435 -0.1540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0524 2.4271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.2166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6725 3.5999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2761 3.8235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4489 2.2035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0812 -1.4119 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0812 -3.0213 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.2166 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.7166 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.2166 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3919 -0.4613 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8055 0.3487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3452 0.8460 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3947 1.1567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1552 1.4324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.7166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6648 -2.2166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.7166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.2166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.7166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7794 -0.5573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3455 0.7643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3440 -0.0654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8972 0.5636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6478 1.7226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8583 1.4676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4261 0.8747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7515 1.6023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2848 -2.2166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.0266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.5966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6088 4.2166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6594 3.7598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 1 7 2 0 0 0 0 2 13 1 0 0 0 0 2 15 1 0 0 0 0 3 17 1 0 0 0 0 4 21 2 0 0 0 0 5 35 1 0 0 0 0 6 36 1 0 0 0 0 13 8 1 1 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 9 19 2 0 0 0 0 9 20 1 0 0 0 0 10 18 1 0 0 0 0 10 22 2 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 11 32 1 0 0 0 0 12 22 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 23 1 0 0 0 0 14 16 1 0 0 0 0 14 24 1 0 0 0 0 14 25 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 1 0 0 0 15 26 1 0 0 0 0 16 27 1 0 0 0 0 16 28 1 0 0 0 0 17 29 1 0 0 0 0 17 30 1 0 0 0 0 18 20 2 0 0 0 0 19 31 1 0 0 0 0 20 21 1 0 0 0 0 M END $$$$