B4DUO0 -OEChem-04022112193D 41 44 0 1 0 0 0 0 0999 V2000 3.5481 0.7995 -1.3154 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1434 1.7508 -0.0993 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1454 3.0538 1.4416 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0441 -2.2402 -0.2294 N 0 0 1 0 0 0 0 0 0 0 0 0 0.3565 -0.8173 -0.0466 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8148 -0.8655 1.3912 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5581 -0.4953 -0.9695 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8158 0.1583 -0.2704 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6829 -2.6672 1.0275 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0144 -1.8837 2.1413 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8575 -2.4713 -1.4185 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4051 0.6825 -0.4684 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9298 -0.2228 -0.9219 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1152 -1.6035 -1.4888 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8649 0.5054 0.9857 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9338 -0.2884 1.8523 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7266 1.5807 0.2001 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0623 0.7338 -1.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0583 2.1783 0.5838 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0855 2.1121 -1.2774 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2252 -0.2944 -1.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2176 -1.3725 -1.0565 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5642 -3.7465 1.1722 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7569 -2.4490 1.0592 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6592 -2.5390 2.7363 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7199 -1.4013 2.7943 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1342 -3.5306 -1.4879 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2421 -2.2772 -2.3065 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8115 1.5972 -0.5545 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9289 -2.0959 -0.9417 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4330 -1.5315 -2.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0144 1.4920 1.4408 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8459 0.0132 1.0063 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2381 -0.4546 2.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0997 1.6490 1.0941 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2924 2.2131 -0.5808 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0003 1.2229 -2.0958 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0150 0.1952 -1.0741 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9478 2.1451 -1.9494 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4287 2.3733 -0.2723 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3516 2.8436 -1.6298 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 20 1 0 0 0 0 2 18 1 0 0 0 0 2 19 1 0 0 0 0 3 19 2 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 4 11 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 6 10 1 0 0 0 0 6 16 2 0 0 0 0 7 12 1 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 8 13 2 0 0 0 0 8 17 1 0 0 0 0 9 10 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 14 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 12 15 1 0 0 0 0 12 29 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 15 16 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 16 34 1 0 0 0 0 17 19 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 M END $$$$