BJ3B2V -OEChem-04012117202D 43 46 0 0 0 0 0 0 0999 V2000 2.9567 -0.3106 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.2950 -0.9318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6656 -1.2674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2478 0.6460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9134 -0.6017 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4090 1.7993 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3941 0.5021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1716 1.4770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1960 0.5021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2950 0.0682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4185 1.4770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6415 -0.2181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6438 0.0813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9486 -0.2181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7951 2.2588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1811 1.7994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9463 0.0812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7951 2.2588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4120 1.0968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6767 -0.6018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1781 1.0967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4504 -1.5758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6334 -0.3107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1808 -2.2588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3638 -0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1375 -1.9678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7865 -0.8209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8036 -0.8209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5261 2.8174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0501 2.4054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0641 2.8174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8203 1.2818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0537 -1.2057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7698 1.2818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8572 -1.7563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7737 0.2932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1805 0.5736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4068 0.1609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8195 -0.6127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0405 -2.8628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9570 -0.8133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5904 -2.3912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 5 1 0 0 0 0 1 24 1 0 0 0 0 2 10 2 0 0 0 0 5 13 1 0 0 0 0 5 34 1 0 0 0 0 6 11 1 0 0 0 0 6 21 2 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 7 12 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 9 14 1 0 0 0 0 11 18 1 0 0 0 0 12 13 2 0 0 0 0 12 28 1 0 0 0 0 13 19 1 0 0 0 0 14 17 2 0 0 0 0 14 29 1 0 0 0 0 15 18 2 0 0 0 0 15 30 1 0 0 0 0 16 19 2 0 0 0 0 16 31 1 0 0 0 0 17 20 1 0 0 0 0 17 21 1 0 0 0 0 18 32 1 0 0 0 0 19 33 1 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 21 35 1 0 0 0 0 22 25 1 0 0 0 0 22 36 1 0 0 0 0 23 26 2 0 0 0 0 23 37 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 25 27 2 0 0 0 0 25 41 1 0 0 0 0 26 27 1 0 0 0 0 26 42 1 0 0 0 0 27 43 1 0 0 0 0 M END $$$$