B1QOX6 -OEChem-04012114003D 56 57 0 0 0 0 0 0 0999 V2000 -6.3295 1.6977 -0.4525 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8363 -0.4937 -0.1921 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.8479 -1.4706 0.0294 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3856 0.4808 -0.4686 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4170 -0.5287 -1.0421 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6346 -1.7146 -0.1201 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1414 -0.2400 0.1026 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3264 -2.4634 0.0851 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1215 -1.5773 0.3324 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0257 1.4316 -1.6368 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0592 1.3101 0.6488 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0006 0.6141 0.3868 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9452 -2.3710 0.8536 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7320 0.2504 0.1406 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5266 1.0468 0.3957 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7211 2.4167 0.9968 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3278 0.5103 0.0804 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9839 1.1096 0.2422 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1167 0.4765 -0.1096 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4853 0.9915 0.0108 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4951 0.2002 -0.3995 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6557 2.3737 0.5877 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9201 0.5496 -0.3554 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6209 -1.8481 -0.0602 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2077 -0.3350 -0.1295 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8656 -2.4172 0.0735 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3774 -0.0318 -1.2292 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0728 -0.9045 -2.0159 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0339 -1.3822 0.8451 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3815 -2.3921 -0.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4690 -3.1517 0.9272 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1191 -3.0809 -0.7985 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3979 2.2674 -1.3081 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9284 1.8660 -2.0825 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4849 0.9000 -2.4285 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2724 0.7022 1.5349 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0073 1.7388 0.3038 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4314 2.1481 0.9712 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2227 1.5724 0.8441 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3020 -1.8039 1.5309 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2923 -3.2198 1.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3592 -2.7818 0.0256 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5366 -0.6885 -0.3721 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7908 2.9642 1.1597 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3382 3.0396 0.3396 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2130 2.3405 1.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3070 -0.4926 -0.3483 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0301 2.1088 0.6565 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0305 -0.5267 -0.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2595 -0.7842 -0.7955 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1072 2.4688 1.5321 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6863 2.6301 0.8368 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2819 3.1290 -0.1118 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6374 -2.2953 -0.0602 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6783 0.6364 -0.2056 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0974 -3.4644 0.2017 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 2 0 0 0 0 2 23 1 0 0 0 0 2 24 1 0 0 0 0 2 25 1 0 0 0 0 3 25 2 0 0 0 0 3 26 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 5 6 1 0 0 0 0 5 27 1 0 0 0 0 5 28 1 0 0 0 0 6 8 1 0 0 0 0 6 29 1 0 0 0 0 6 30 1 0 0 0 0 7 9 2 0 0 0 0 7 12 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 13 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 14 2 0 0 0 0 12 39 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 15 1 0 0 0 0 14 43 1 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 18 1 0 0 0 0 17 47 1 0 0 0 0 18 19 2 0 0 0 0 18 48 1 0 0 0 0 19 20 1 0 0 0 0 19 49 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 21 50 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 24 26 2 0 0 0 0 24 54 1 0 0 0 0 25 55 1 0 0 0 0 26 56 1 0 0 0 0 M END $$$$