BBVQ31 -OEChem-04022107272D 50 46 0 0 0 0 0 0 0999 V2000 3.5823 4.2441 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 5.1646 3.5396 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 5.8264 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 6.5659 4.5576 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 5.8691 5.1219 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.0000 4.9486 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.9945 5.0531 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.3913 4.8318 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.1591 3.6441 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.0601 4.5341 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.7733 3.6563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2691 2.5450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8511 0.1736 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3511 1.7125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6602 0.7614 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1701 3.4350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7634 2.5215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3511 1.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0421 0.7614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8511 -0.8264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8511 -2.8264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7172 -2.3264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7172 -1.3264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8511 -3.8264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5832 -2.8264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9851 -4.3264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9851 -5.3264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1191 -5.8264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8511 -5.8264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5345 2.9334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2494 2.8682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3327 2.0755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4525 0.5698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2406 -0.7187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6391 -1.4090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6391 -2.2438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2406 -2.9340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2541 -1.0164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0632 -4.4090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4617 -3.7187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2732 -3.3633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1201 -3.1364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8932 -2.2894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4482 -4.0164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8091 -5.2894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5822 -6.1364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4291 -6.3633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5411 -6.3633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3881 -6.1364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1611 -5.2894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 1 11 2 0 0 0 0 1 16 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 2 12 2 0 0 0 0 2 16 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 0 0 0 0 13 20 1 0 0 0 0 14 15 2 0 0 0 0 14 18 1 0 0 0 0 16 17 1 0 0 0 0 16 30 1 0 0 0 0 17 18 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 18 19 2 0 0 0 0 19 33 1 0 0 0 0 20 23 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 21 22 1 0 0 0 0 21 24 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 38 1 0 0 0 0 24 26 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 26 27 2 0 0 0 0 26 44 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 28 45 1 0 0 0 0 28 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 M CHG 8 3 1 4 1 5 1 6 1 7 -1 8 -1 9 -1 10 -1 M END $$$$