B95TAH -OEChem-04022107052D 33 33 0 0 0 0 0 0 0999 V2000 5.0981 -2.1581 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.8807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.8807 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3582 -0.8981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.3807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.3807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.6193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 -2.1581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.3807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7891 -1.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5103 -2.9672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4071 -1.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9170 -3.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 2.4884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 1.7981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 1.7730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 2.4633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4766 3.2730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0781 3.9633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 0.5707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1994 -1.0155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0796 -2.5212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9963 -3.3139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 4.4176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 4.1907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 3.3438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3506 -4.1329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1692 -4.4471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4834 -3.6285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8189 -1.3129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4870 -0.2916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 13 1 0 0 0 0 2 10 2 0 0 0 0 3 6 1 0 0 0 0 3 10 1 0 0 0 0 3 22 1 0 0 0 0 4 13 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 7 14 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 13 2 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 11 23 1 0 0 0 0 12 15 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 14 26 1 0 0 0 0 14 27 1 0 0 0 0 14 28 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 M END $$$$