B4DTJ0 -OEChem-04022102492D 40 42 0 0 0 0 0 0 0999 V2000 5.1350 4.1830 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.8170 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.8170 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.3170 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -3.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2331 -4.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7331 -3.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2947 -3.7554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7581 -4.5815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7080 -4.5815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3157 -3.5290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8408 -2.7064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.1270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -0.0070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 0.6580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 0.6580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0930 -1.2800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.1270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7130 -2.3539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.3730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 1.3730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.9370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.9930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 2.9930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 9 2 0 0 0 0 3 6 1 0 0 0 0 3 9 1 0 0 0 0 3 28 1 0 0 0 0 4 10 2 0 0 0 0 4 14 1 0 0 0 0 5 16 1 0 0 0 0 5 37 1 0 0 0 0 5 38 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 23 1 0 0 0 0 7 8 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 10 12 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 11 15 1 0 0 0 0 12 29 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 14 17 1 0 0 0 0 15 18 2 0 0 0 0 15 19 1 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 18 20 1 0 0 0 0 18 35 1 0 0 0 0 19 21 2 0 0 0 0 19 36 1 0 0 0 0 20 22 2 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 M END $$$$