BS4MB3 -OEChem-04012113172D 57 59 0 1 0 0 0 0 0999 V2000 6.3301 -2.8627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8762 1.5493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5655 0.5987 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1439 2.9122 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.8627 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3301 -1.8627 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2764 -0.5580 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2764 -2.1675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.3627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.3627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8600 -1.3627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.8627 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 -0.8627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.1373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5870 0.3925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.3627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.8627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.3627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.3627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.8627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.3627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8547 1.7555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1653 2.7060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4545 3.8627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8117 2.1679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8389 -0.1186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0253 -2.7344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8137 -2.4767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 0.1122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 0.1122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -2.8377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -2.8377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3208 -1.7775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3208 -0.9480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -1.5527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -0.2801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -0.9704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9501 0.1373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.7573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7101 0.1373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -3.1727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1730 0.8540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.2427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.6727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.0527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.4827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.6727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8752 1.1358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4685 1.6681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1448 3.3256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5515 2.7934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0438 3.6701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6471 4.4521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8652 4.0554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3502 1.7538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2258 1.7064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2732 2.5820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6 1 1 1 0 0 0 1 41 1 0 0 0 0 2 3 1 0 0 0 0 2 22 1 0 0 0 0 3 15 2 0 0 0 0 4 23 1 0 0 0 0 4 24 1 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 5 14 1 1 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 7 15 1 1 0 0 0 7 26 1 0 0 0 0 8 11 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 13 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 12 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 6 0 0 0 12 35 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 42 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 17 43 1 0 0 0 0 18 20 2 0 0 0 0 18 44 1 0 0 0 0 19 21 2 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 25 55 1 0 0 0 0 25 56 1 0 0 0 0 25 57 1 0 0 0 0 M END $$$$