BH2Q3I -OEChem-04022103002D 44 46 0 0 0 0 0 0 0999 V2000 6.0812 -2.4012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3274 0.7774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.5965 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.0965 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.4035 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.5965 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3704 0.3650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0382 -0.3793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0168 -0.1731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6811 1.3155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3919 0.1587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0812 -0.7918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.0965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6596 1.5217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.0965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6846 -0.9174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0132 2.0598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6648 -1.5965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.5965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9702 2.4722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3239 3.0103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3024 3.2165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.0965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3059 0.9836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5119 -0.7070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2695 -0.9546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5431 0.1545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7855 0.4021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9778 0.6202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2231 -1.3315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0987 -1.3789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1461 -0.5034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4066 1.9319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2848 -1.5965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5769 2.6001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9098 3.4718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4950 3.8058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 0.7135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4338 0.3769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9126 1.1115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1781 1.5903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -3.2165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.2865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 18 1 0 0 0 0 2 14 1 0 0 0 0 2 24 1 0 0 0 0 3 15 2 0 0 0 0 3 23 1 0 0 0 0 4 19 1 0 0 0 0 4 23 2 0 0 0 0 5 19 1 0 0 0 0 5 38 1 0 0 0 0 5 39 1 0 0 0 0 6 23 1 0 0 0 0 6 43 1 0 0 0 0 6 44 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 11 2 3 0 0 0 8 9 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 16 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 14 1 0 0 0 0 10 17 2 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 12 13 1 0 0 0 0 12 18 2 0 0 0 0 13 15 1 0 0 0 0 13 19 2 0 0 0 0 14 20 2 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 17 21 1 0 0 0 0 17 33 1 0 0 0 0 18 34 1 0 0 0 0 20 22 1 0 0 0 0 20 35 1 0 0 0 0 21 22 2 0 0 0 0 21 36 1 0 0 0 0 22 37 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 M END $$$$