LL9BE3 -OEChem-05032301272D 44 46 0 0 0 0 0 0 0999 V2000 6.0812 -1.8229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3274 1.3558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.0182 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.5181 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.9819 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.0182 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6811 1.8938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3704 0.9433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0382 0.1990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3919 0.7371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0812 -0.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6596 2.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0132 2.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.5181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0168 0.4052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7276 -0.7515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.5182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6648 -1.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.0181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6846 -0.3391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3954 -1.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3739 -1.2896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.5182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3059 1.5620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0744 1.7660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9778 1.1986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7874 1.4934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2662 2.2279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5317 2.7067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4747 3.0522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5992 3.0996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5518 2.2241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1209 -0.8794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2848 -1.0182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2913 -0.2112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2028 -2.0851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7880 -1.7510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.2918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 1.2918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4338 0.9553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9126 1.6898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1781 2.1686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.6382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 2 15 1 0 0 0 0 2 24 1 0 0 0 0 3 17 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 12 1 0 0 0 0 7 13 1 0 0 0 0 7 25 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 9 15 1 0 0 0 0 9 16 2 0 0 0 0 10 11 1 0 0 0 0 10 26 1 0 0 0 0 11 14 1 0 0 0 0 11 18 2 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 17 1 0 0 0 0 14 19 2 0 0 0 0 15 20 2 0 0 0 0 16 21 1 0 0 0 0 16 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 $$$$