B4VJ1M -OEChem-04022101372D 38 40 0 0 0 0 0 0 0999 V2000 3.0000 2.3988 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.9706 4.8933 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 2.3988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.3988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -4.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 3.3988 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 1.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -0.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -1.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 0.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 0.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -0.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -0.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -2.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -2.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 3.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -3.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -3.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -3.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7796 3.4920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4487 4.2352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9487 5.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -5.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 1.2088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 1.2088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 -0.4112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 -0.4112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4631 3.7088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 -1.7912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 -1.7912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 -3.4112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 -3.4112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9085 2.8856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0653 4.1704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2009 5.6676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8240 -4.5643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 -5.4112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4440 -5.6382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 2 16 1 0 0 0 0 2 22 1 0 0 0 0 5 19 1 0 0 0 0 5 23 1 0 0 0 0 6 16 1 0 0 0 0 6 28 1 0 0 0 0 7 10 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 12 2 0 0 0 0 8 13 1 0 0 0 0 9 14 2 0 0 0 0 9 15 1 0 0 0 0 10 12 1 0 0 0 0 10 24 1 0 0 0 0 11 13 2 0 0 0 0 11 25 1 0 0 0 0 12 26 1 0 0 0 0 13 27 1 0 0 0 0 14 17 1 0 0 0 0 14 29 1 0 0 0 0 15 18 2 0 0 0 0 15 30 1 0 0 0 0 16 20 2 0 0 0 0 17 19 2 0 0 0 0 17 31 1 0 0 0 0 18 19 1 0 0 0 0 18 32 1 0 0 0 0 20 21 1 0 0 0 0 20 33 1 0 0 0 0 21 22 2 0 0 0 0 21 34 1 0 0 0 0 22 35 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 M END $$$$