B4V2UD -OEChem-04012112082D 38 40 0 0 0 0 0 0 0999 V2000 6.0812 0.8047 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0812 -0.8047 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6648 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6648 -1.7320 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6648 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1648 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1648 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6648 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6648 -1.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6648 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1648 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6490 -2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8890 -2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2269 -0.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8469 -1.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8890 2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6490 2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9748 0.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5822 -1.0781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2725 -1.4766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3548 0.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3548 -2.2690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9748 0.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7848 -0.8660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 12 1 0 0 0 0 2 11 1 0 0 0 0 2 34 1 0 0 0 0 3 6 1 0 0 0 0 3 12 2 0 0 0 0 4 12 1 0 0 0 0 4 16 1 0 0 0 0 4 31 1 0 0 0 0 5 19 1 0 0 0 0 5 21 2 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 7 9 2 0 0 0 0 7 13 1 0 0 0 0 8 10 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 13 22 1 0 0 0 0 13 23 1 0 0 0 0 13 24 1 0 0 0 0 14 25 1 0 0 0 0 14 26 1 0 0 0 0 14 27 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 17 18 1 0 0 0 0 17 19 2 0 0 0 0 18 20 2 0 0 0 0 18 35 1 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 21 38 1 0 0 0 0 M END $$$$