B1P5BT -OEChem-04022106392D 42 42 0 1 0 0 0 0 0999 V2000 8.0622 1.3450 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.1550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.8450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3301 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 0.8701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 0.8701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 1.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 2.3200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 2.3200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -1.7376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -1.0473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -1.0724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -1.7627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 0.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 3.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2382 1.3081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 2.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6182 2.3819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 4.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 21 1 0 0 0 0 2 13 2 0 0 0 0 3 14 2 0 0 0 0 4 7 1 0 0 0 0 4 42 1 0 0 0 0 8 5 1 6 0 0 0 5 14 1 0 0 0 0 5 25 1 0 0 0 0 6 11 1 0 0 0 0 6 14 1 0 0 0 0 6 32 1 0 0 0 0 7 13 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 8 22 1 0 0 0 0 9 10 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 15 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 33 1 0 0 0 0 17 19 2 0 0 0 0 17 34 1 0 0 0 0 18 20 2 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 20 38 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 M END $$$$