B3TS9A -OEChem-04012113282D 36 37 0 0 0 0 0 0 0999 V2000 2.9945 2.9672 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.7634 3.8807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5823 2.1581 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1646 2.8626 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8913 1.2071 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2733 1.2071 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1701 2.9672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 2.1581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0823 0.6193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0823 -0.3807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2163 -1.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7524 3.6716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5714 1.9491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2163 -0.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3503 -2.3807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0823 -2.3807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3503 -3.3807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0823 -3.3807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2163 -3.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.8626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6192 -0.6907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2540 3.3072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1168 4.1732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2508 4.0361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0050 1.6969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8235 1.3827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1378 2.2013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6794 -0.5707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8133 -2.0707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6192 -2.0707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8133 -3.6907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6192 -3.6907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2163 -4.5007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9352 3.4792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 2.7978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0648 2.2460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 20 1 0 0 0 0 2 7 2 0 0 0 0 3 5 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 4 7 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 5 9 2 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 9 10 1 0 0 0 0 10 14 2 0 0 0 0 10 21 1 0 0 0 0 11 14 1 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 12 22 1 0 0 0 0 12 23 1 0 0 0 0 12 24 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 14 28 1 0 0 0 0 15 17 1 0 0 0 0 15 29 1 0 0 0 0 16 18 2 0 0 0 0 16 30 1 0 0 0 0 17 19 2 0 0 0 0 17 31 1 0 0 0 0 18 19 1 0 0 0 0 18 32 1 0 0 0 0 19 33 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 M END $$$$