LJLG76 -OEChem-05032301112D 42 42 0 1 0 0 0 0 0999 V2000 3.4030 2.9400 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.5600 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -1.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2331 -2.4260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2331 -0.6940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.0600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.5600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.9400 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 0.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0569 0.0226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6584 -0.6677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6584 1.5477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0569 0.8574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8796 2.3323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4810 3.0226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 -1.0850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 -1.0850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2269 -3.0231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8469 -4.0969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 2.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 -1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9231 -2.9630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 39 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 2 9 2 0 0 0 0 3 19 1 0 0 0 0 4 17 1 0 0 0 0 4 38 1 0 0 0 0 5 20 1 0 0 0 0 5 40 1 0 0 0 0 6 20 2 0 0 0 0 7 41 1 0 0 0 0 8 42 1 0 0 0 0 12 10 1 1 0 0 0 10 13 1 0 0 0 0 10 27 1 0 0 0 0 11 21 2 0 0 0 0 11 22 1 0 0 0 0 12 15 1 0 0 0 0 12 20 1 0 0 0 0 12 24 1 0 0 0 0 13 14 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 14 16 1 0 0 0 0 14 17 2 0 0 0 0 15 18 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 16 19 1 0 0 0 0 16 22 2 0 0 0 0 17 21 1 0 0 0 0 18 30 1 0 0 0 0 18 31 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 21 23 1 0 0 0 0 22 34 1 0 0 0 0 23 35 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 M END $$$$