BM1NS9 -OEChem-04022105062D 57 59 0 0 0 0 0 0 0999 V2000 11.2901 -3.7207 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.9688 -2.4513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9621 -4.4613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0307 -3.0487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5496 -4.3927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.5387 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.5387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.9613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2731 -2.1265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6551 -2.1265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.4613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 -3.0776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9641 -3.0776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.4613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.9613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2885 -1.8943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6397 -1.8943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6491 -3.8623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2791 -3.8623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9915 -2.6630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.9613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6696 -3.6536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9367 -2.6630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2586 -3.6536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.4613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6408 -3.1918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6181 -2.9802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 -0.6464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 0.0439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 0.0689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -0.6213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 0.8536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 1.5439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 1.5689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 0.8787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 2.3536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 3.0439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 3.0689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 2.3787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4733 -1.3024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4549 -1.3024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4507 -4.4497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4775 -4.4497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4766 3.8536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0781 4.5439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0827 -4.1160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3308 -2.5317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8455 -4.1160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 4.9982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 4.7713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 3.9243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1163 -3.5224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8753 -3.7658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1426 -2.6496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3837 -2.4062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5681 -4.3300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 28 1 0 0 0 0 2 21 1 0 0 0 0 2 27 1 0 0 0 0 3 57 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 12 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 13 2 0 0 0 0 10 17 1 0 0 0 0 11 14 1 0 0 0 0 11 18 2 0 0 0 0 12 15 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 13 19 1 0 0 0 0 14 20 2 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 22 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 21 2 0 0 0 0 17 41 1 0 0 0 0 18 24 1 0 0 0 0 18 42 1 0 0 0 0 19 23 2 0 0 0 0 19 43 1 0 0 0 0 20 25 1 0 0 0 0 20 44 1 0 0 0 0 21 23 1 0 0 0 0 22 26 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 47 1 0 0 0 0 24 25 2 0 0 0 0 24 48 1 0 0 0 0 25 49 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 27 28 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 M END $$$$