B1XDJ2 -OEChem-04022110352D 40 40 0 1 0 0 0 0 0999 V2000 4.2690 -5.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -4.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 5.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 5.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.9050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 3.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 4.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2131 0.0124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6116 0.7027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0569 -0.8224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6584 -1.5127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -2.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8796 -4.5127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4810 -3.8224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 1.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 3.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -5.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -5.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 5.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 4.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 5.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 37 1 0 0 0 0 2 13 2 0 0 0 0 3 14 2 0 0 0 0 4 10 1 0 0 0 0 4 14 1 0 0 0 0 4 27 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 5 28 1 0 0 0 0 9 6 1 1 0 0 0 6 35 1 0 0 0 0 6 36 1 0 0 0 0 7 21 1 0 0 0 0 7 38 1 0 0 0 0 7 39 1 0 0 0 0 8 21 2 0 0 0 0 8 40 1 0 0 0 0 9 13 1 0 0 0 0 9 15 1 0 0 0 0 9 22 1 0 0 0 0 10 11 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 11 16 2 0 0 0 0 11 17 1 0 0 0 0 12 14 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 16 19 1 0 0 0 0 16 31 1 0 0 0 0 17 20 2 0 0 0 0 17 32 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 19 33 1 0 0 0 0 20 34 1 0 0 0 0 M END $$$$