B5YFU2 -OEChem-04012119282D 45 47 0 1 0 0 0 0 0999 V2000 4.5981 3.8438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.8438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3465 -0.1908 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9735 -1.8146 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6340 -2.5654 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 1.3230 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3580 2.8784 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2067 -0.7008 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.1951 -1.7007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0553 -2.2107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0784 -0.2108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3580 0.8091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.3438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1483 -3.2064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.3438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1240 -3.4256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.8438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.8438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.3438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.3438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5201 -4.3438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 2.3646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.3438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.3438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6662 -1.0046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5858 -1.5860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9763 -2.2808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8060 -0.4946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3822 -0.7513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6189 0.0929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7746 0.3296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6828 -3.6159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2513 -2.5077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 1.0338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9509 -4.5894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7657 -4.9130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0894 -4.0982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7998 2.6767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 4.8807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 4.6538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 3.8068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 2.8807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.0338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.8068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 23 1 0 0 0 0 2 19 1 0 0 0 0 2 24 1 0 0 0 0 3 8 1 0 0 0 0 3 12 1 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 10 2 0 0 0 0 5 16 1 0 0 0 0 5 34 1 0 0 0 0 6 12 2 0 0 0 0 6 22 1 0 0 0 0 7 15 1 0 0 0 0 7 22 2 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 25 1 0 0 0 0 9 10 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 14 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 13 15 2 0 0 0 0 13 17 1 0 0 0 0 14 16 2 0 0 0 0 14 32 1 0 0 0 0 15 18 1 0 0 0 0 16 21 1 0 0 0 0 17 20 2 0 0 0 0 17 33 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 35 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 M END $$$$