B1QAF7 -OEChem-04022118143D 56 60 0 1 0 0 0 0 0999 V2000 -9.9805 -0.1343 0.0048 F 0 0 0 0 0 0 0 0 0 0 0 0 -9.0978 -1.4858 -1.4520 F 0 0 0 0 0 0 0 0 0 0 0 0 -9.1032 -2.0160 0.6510 F 0 0 0 0 0 0 0 0 0 0 0 0 5.5563 0.9564 -1.2664 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6479 -0.6077 1.1288 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1728 -2.2384 0.5403 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4243 0.2632 0.0896 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4083 1.4683 -0.2114 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9148 -0.6846 -0.1181 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8688 1.4698 0.4259 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3320 0.2781 -0.0123 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7211 -0.0478 0.5431 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5529 -0.1896 -0.7153 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5104 -0.9918 -0.2877 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5451 1.1966 0.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9521 0.8926 -1.5925 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1059 -0.6743 -0.8077 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1429 1.5050 0.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0455 -0.0345 -0.4924 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0250 0.3076 0.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5943 -1.0973 0.4259 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3573 -0.8570 0.4481 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0328 -0.8285 0.4678 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9433 1.4577 -0.1814 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7031 0.3472 0.1484 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1416 0.4081 0.1599 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2284 -0.3025 -0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1732 1.0461 0.3155 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4237 -0.9996 -0.2039 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3720 1.7575 0.4918 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6073 -0.2760 -0.0246 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5842 1.0781 0.3171 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9196 -0.9665 -0.2023 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7300 -0.9420 1.1743 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0986 0.7868 1.1482 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3470 -1.1698 -1.1654 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4234 -1.5801 0.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0106 -1.6228 -1.0318 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0755 2.1478 1.0607 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4632 0.7260 1.9173 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3851 1.8784 -1.3895 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0660 0.6773 -2.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5583 -1.6188 -0.9038 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1619 -0.2374 -1.8126 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2011 2.1344 -0.4957 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6127 2.0779 1.1724 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5858 -0.1006 -1.4432 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2532 0.9506 -0.0568 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8795 -1.7699 0.7155 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5645 -1.7333 0.7505 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0258 -1.2790 1.7361 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4014 2.4070 -0.4438 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5896 -1.6109 -0.3621 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4304 -2.0513 -0.4692 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3643 2.8098 0.7573 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5086 1.6338 0.4548 H 0 0 0 0 0 0 0 0 0 0 0 0 1 33 1 0 0 0 0 2 33 1 0 0 0 0 3 33 1 0 0 0 0 4 11 1 0 0 0 0 4 16 1 0 0 0 0 5 21 1 0 0 0 0 5 51 1 0 0 0 0 6 21 2 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 7 20 1 0 0 0 0 8 20 2 0 0 0 0 8 24 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 9 53 1 0 0 0 0 10 26 2 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 16 1 0 0 0 0 13 19 1 0 0 0 0 13 36 1 0 0 0 0 14 17 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 18 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 21 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 22 1 0 0 0 0 22 23 2 0 0 0 0 22 49 1 0 0 0 0 23 25 1 0 0 0 0 23 50 1 0 0 0 0 24 25 2 0 0 0 0 24 52 1 0 0 0 0 25 26 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 28 30 1 0 0 0 0 29 31 2 0 0 0 0 29 54 1 0 0 0 0 30 32 2 0 0 0 0 30 55 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 32 56 1 0 0 0 0 M END $$$$