BY4NC2 -OEChem-04012119372D 44 47 0 0 0 0 0 0 0999 V2000 7.1276 -1.1355 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.0504 -0.5013 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.1719 -1.8862 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.2968 0.4737 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4608 0.8533 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6197 2.1405 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6084 0.5461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6084 1.5878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7023 0.0323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7023 2.1016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8084 0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8084 1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9424 0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9424 2.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0763 0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0763 1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2103 0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1058 -0.9276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6276 -0.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6331 -0.1649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1331 0.7011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9640 -0.9081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1550 0.4932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4118 1.1623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4287 -2.5553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8174 -0.0375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2192 0.6522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2192 1.4817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8174 2.1715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2977 -0.4375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0959 -0.4467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0959 2.5806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2977 2.5714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9424 -0.5530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9424 2.6870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5394 1.8770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5665 -1.3424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3853 1.2675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0139 -2.0946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9680 -2.9702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8436 -3.0161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.2682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3318 0.2469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1590 2.5553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 22 1 0 0 0 0 2 23 1 0 0 0 0 3 22 1 0 0 0 0 3 25 1 0 0 0 0 4 17 1 0 0 0 0 4 19 2 0 0 0 0 5 24 1 0 0 0 0 5 42 1 0 0 0 0 5 43 1 0 0 0 0 6 24 2 0 0 0 0 6 44 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 10 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 11 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 12 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 13 15 2 0 0 0 0 13 34 1 0 0 0 0 14 16 2 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 36 1 0 0 0 0 17 18 2 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 2 0 0 0 0 21 23 2 0 0 0 0 21 38 1 0 0 0 0 23 24 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 M END $$$$