BXD76Y -OEChem-04012115312D 30 30 0 0 0 0 0 0 0999 V2000 5.0981 -2.6149 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.4239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.4239 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3582 -1.3548 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.0761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7891 -1.6639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4071 -1.6639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 -2.6149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5103 -3.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 2.0316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 1.3413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 1.3163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 2.0065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4766 2.8163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0781 3.5065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 0.1139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 3.9609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 3.7339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 2.8870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1994 -1.4723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0087 -3.0595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1459 -3.9255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0119 -3.7884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8189 -1.7697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4870 -0.7484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 2 9 2 0 0 0 0 3 6 1 0 0 0 0 3 9 1 0 0 0 0 3 21 1 0 0 0 0 4 12 1 0 0 0 0 4 29 1 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 7 10 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 12 2 0 0 0 0 10 22 1 0 0 0 0 10 23 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 13 14 1 0 0 0 0 14 26 1 0 0 0 0 14 27 1 0 0 0 0 14 28 1 0 0 0 0 M END $$$$