DT3BA1 -OEChem-06062108552D 56 60 0 0 0 0 0 0 0999 V2000 3.8660 1.0761 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -7.4239 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.4239 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -6.4239 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.7210 4.8313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -1.9239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9939 3.0761 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7891 5.6639 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4071 5.6639 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -1.9239 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -3.4239 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 2.5761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 3.5761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4103 2.2713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 2.0761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 4.0761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4103 3.8808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 2.5761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 1.0761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 3.5761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 5.0761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 0.5761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 0.5761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 6.6149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -0.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 -0.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -0.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0981 6.6149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5103 7.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -2.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -3.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -4.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -5.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -3.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -4.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -3.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -6.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1593 1.7044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9477 1.9621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6139 3.0761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1951 2.2661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1951 3.8861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0010 0.8861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1994 5.4723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1951 -0.7339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0010 -0.7339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4625 7.1165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0119 7.7884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1459 7.9255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0087 7.0595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1350 -2.2339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2690 -3.7339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 -5.2339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -2.8039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 -5.2339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 -3.6139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 37 1 0 0 0 0 3 37 1 0 0 0 0 4 37 1 0 0 0 0 5 17 2 0 0 0 0 6 30 2 0 0 0 0 7 14 1 0 0 0 0 7 17 1 0 0 0 0 7 40 1 0 0 0 0 8 21 1 0 0 0 0 8 24 1 0 0 0 0 8 44 1 0 0 0 0 9 21 2 0 0 0 0 9 28 1 0 0 0 0 10 27 1 0 0 0 0 10 30 1 0 0 0 0 10 51 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 11 52 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 2 0 0 0 0 13 16 2 0 0 0 0 13 17 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 18 1 0 0 0 0 15 19 1 0 0 0 0 16 20 1 0 0 0 0 16 21 1 0 0 0 0 18 20 2 0 0 0 0 18 41 1 0 0 0 0 19 22 2 0 0 0 0 19 23 1 0 0 0 0 20 42 1 0 0 0 0 22 25 1 0 0 0 0 23 26 2 0 0 0 0 23 43 1 0 0 0 0 24 28 2 0 0 0 0 24 29 1 0 0 0 0 25 27 2 0 0 0 0 25 45 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 28 47 1 0 0 0 0 29 48 1 0 0 0 0 29 49 1 0 0 0 0 29 50 1 0 0 0 0 31 32 1 0 0 0 0 31 34 2 0 0 0 0 32 33 2 0 0 0 0 32 53 1 0 0 0 0 33 35 1 0 0 0 0 33 37 1 0 0 0 0 34 36 1 0 0 0 0 34 54 1 0 0 0 0 35 36 2 0 0 0 0 35 55 1 0 0 0 0 36 56 1 0 0 0 0 M END $$$$