BP4QV1 -OEChem-04012112422D 43 45 0 0 0 0 0 0 0999 V2000 2.9945 2.6434 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3503 -4.7044 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.7163 -5.0705 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.7163 -3.3384 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.7634 3.5570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0823 -3.7044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1646 2.5389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5823 1.8344 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8913 0.8833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2733 0.8833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0823 -0.7044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0823 0.2956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7524 3.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1701 2.6434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 1.8344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5714 1.6253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9483 -1.2044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2163 -1.2044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7469 3.2434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3457 4.2614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0823 -2.7044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9483 -2.2044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2163 -2.2044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3347 4.0524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9334 5.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9280 4.9659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.5389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2163 -4.2044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0050 1.3732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8235 1.0589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1378 1.8775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4853 -0.8944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6794 -0.8944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9991 2.6770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7291 4.3263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4853 -2.5144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6794 -2.5144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9513 3.9876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6813 5.6369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2924 5.4675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9352 3.1555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 2.4741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0648 1.9223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 27 1 0 0 0 0 2 28 1 0 0 0 0 3 28 1 0 0 0 0 4 28 1 0 0 0 0 5 14 2 0 0 0 0 6 21 1 0 0 0 0 6 28 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 7 16 1 0 0 0 0 8 9 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 9 12 2 0 0 0 0 10 12 1 0 0 0 0 10 15 2 0 0 0 0 11 12 1 0 0 0 0 11 17 2 0 0 0 0 11 18 1 0 0 0 0 13 19 2 0 0 0 0 13 20 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 17 22 1 0 0 0 0 17 32 1 0 0 0 0 18 23 2 0 0 0 0 18 33 1 0 0 0 0 19 24 1 0 0 0 0 19 34 1 0 0 0 0 20 25 2 0 0 0 0 20 35 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 36 1 0 0 0 0 23 37 1 0 0 0 0 24 26 2 0 0 0 0 24 38 1 0 0 0 0 25 26 1 0 0 0 0 25 39 1 0 0 0 0 26 40 1 0 0 0 0 27 41 1 0 0 0 0 27 42 1 0 0 0 0 27 43 1 0 0 0 0 M END $$$$