L2C3NB -OEChem-05022323202D 41 41 0 0 0 0 0 0 0999 V2000 7.7331 -1.9050 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 3.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 2.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -1.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2331 -2.7710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2331 -1.0390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.9050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -3.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0569 -0.3224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6584 -1.0127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7456 0.4873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3471 1.1776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6584 1.2027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0569 0.5124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 -1.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 -1.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8796 1.9873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4810 2.6776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -3.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2269 -3.3681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8469 -4.4419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 -1.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9231 -3.3080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 1 8 2 0 0 0 0 2 17 1 0 0 0 0 3 16 1 0 0 0 0 3 38 1 0 0 0 0 4 22 1 0 0 0 0 4 39 1 0 0 0 0 5 22 2 0 0 0 0 6 40 1 0 0 0 0 7 41 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 9 27 1 0 0 0 0 10 19 2 0 0 0 0 10 20 1 0 0 0 0 11 12 1 0 0 0 0 11 23 1 0 0 0 0 11 24 1 0 0 0 0 12 14 1 0 0 0 0 12 16 2 0 0 0 0 13 15 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 14 17 1 0 0 0 0 14 20 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 17 30 1 0 0 0 0 17 31 1 0 0 0 0 18 22 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 19 21 1 0 0 0 0 20 34 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 M END $$$$