B3HNL6 -OEChem-04012116592D 46 50 0 0 0 0 0 0 0999 V2000 3.3938 5.3814 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.3351 1.4096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4691 -2.0904 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4691 -0.0904 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2813 -4.8951 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6030 1.4096 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.5767 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3351 -1.5904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6030 -1.5904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3351 -0.5904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6030 -0.5904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4691 -3.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3351 -3.5904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4691 0.9096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6030 -3.5904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3351 -4.5904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2813 -3.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6030 -4.5904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4691 -5.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8649 -4.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6030 2.4096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7370 2.9096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4691 2.9096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7370 3.9096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6030 4.4096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4691 3.9096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4051 5.4845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5471 -2.1730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9457 -1.4828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9925 -1.4828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3910 -2.1730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9457 -0.6981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5471 -0.0078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3910 -0.0078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9925 -0.6981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0661 -3.2804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4739 -2.6963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0661 -4.9004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4691 -5.7104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4739 -5.4845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0661 1.0996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4849 -4.0904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2001 2.5996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0060 2.5996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0060 4.2196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0951 6.0214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 1 27 1 0 0 0 0 2 14 2 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 3 12 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 4 14 1 0 0 0 0 5 16 1 0 0 0 0 5 20 1 0 0 0 0 5 40 1 0 0 0 0 6 14 1 0 0 0 0 6 21 1 0 0 0 0 6 41 1 0 0 0 0 7 24 1 0 0 0 0 7 27 2 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 32 1 0 0 0 0 10 33 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 15 2 0 0 0 0 13 16 2 0 0 0 0 13 17 1 0 0 0 0 15 18 1 0 0 0 0 15 36 1 0 0 0 0 16 19 1 0 0 0 0 17 20 2 0 0 0 0 17 37 1 0 0 0 0 18 19 2 0 0 0 0 18 38 1 0 0 0 0 19 39 1 0 0 0 0 20 42 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 22 43 1 0 0 0 0 23 26 2 0 0 0 0 23 44 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 45 1 0 0 0 0 27 46 1 0 0 0 0 M END $$$$