BK3IN5 -OEChem-04022102453D 56 58 0 1 0 0 0 0 0999 V2000 -0.2839 -1.2501 -1.0299 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.2001 -2.6654 -1.3402 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1096 -0.2756 -2.0308 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9176 -2.1410 1.4202 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9109 1.6248 -0.1858 N 0 0 2 0 0 0 0 0 0 0 0 0 0.5589 -0.9231 0.4453 N 0 0 1 0 0 0 0 0 0 0 0 0 1.8775 1.0290 1.1081 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8258 2.4453 1.6914 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5661 1.0353 -0.2672 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4737 0.4352 1.0086 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2150 3.0743 1.6915 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8556 3.0082 0.3051 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5731 1.5709 -1.4892 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5247 -1.9771 1.4972 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9658 -0.9059 -0.5945 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7185 -2.8999 1.3322 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0579 0.2171 -1.7748 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4804 0.3800 -0.7627 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7734 -1.9184 -0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8119 0.6692 -0.4224 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6331 -0.3604 0.0957 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0986 -1.6489 0.2582 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3462 1.9577 -0.5849 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4567 -0.8898 -2.0139 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9645 -0.0711 0.4362 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0667 -2.9624 1.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6714 2.2272 -0.2415 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4790 1.2148 0.2681 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4743 0.4090 1.7903 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4314 2.4213 2.7139 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1460 3.0719 1.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6514 0.0048 -0.6282 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9498 1.5868 -0.9902 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1203 1.0876 0.3633 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0311 0.4414 1.9812 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1472 4.1182 2.0182 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8525 2.5532 2.4171 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2974 3.6477 -0.3914 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8698 3.4186 0.3837 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9192 1.9315 -2.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4530 2.2278 -1.4888 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4084 -2.5449 1.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5741 -1.5248 2.4945 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6837 -3.4107 0.3639 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7056 -3.6573 2.1244 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8547 1.1718 -1.1691 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3945 -2.9268 0.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7117 -2.4556 0.6548 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7335 2.7647 -0.9813 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6139 -0.8470 0.8362 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8089 -1.8726 -2.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9545 -2.3294 1.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0668 -3.4395 0.2802 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1060 -3.7210 2.0526 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0725 3.2281 -0.3721 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5105 1.4254 0.5353 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 6 1 0 0 0 0 1 15 1 0 0 0 0 4 16 1 0 0 0 0 4 26 1 0 0 0 0 5 9 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 6 10 1 0 0 0 0 6 14 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 29 1 0 0 0 0 8 11 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 17 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 16 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 18 2 0 0 0 0 15 19 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 24 3 0 0 0 0 18 20 1 0 0 0 0 18 46 1 0 0 0 0 19 22 2 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 20 23 2 0 0 0 0 21 22 1 0 0 0 0 21 25 2 0 0 0 0 22 48 1 0 0 0 0 23 27 1 0 0 0 0 23 49 1 0 0 0 0 24 51 1 0 0 0 0 25 28 1 0 0 0 0 25 50 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 26 54 1 0 0 0 0 27 28 2 0 0 0 0 27 55 1 0 0 0 0 28 56 1 0 0 0 0 M END $$$$