BSC4V6 -OEChem-04012117122D 53 57 0 1 0 0 0 0 0999 V2000 3.7066 0.9954 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.4026 -0.9738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8890 -0.1734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8862 -1.7829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7127 4.5155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -2.7344 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -4.3438 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.5391 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.0391 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.5391 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0448 5.2598 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9422 -0.4765 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9405 -1.4765 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9917 -0.1658 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9889 -1.7839 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4712 -0.9791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6844 0.7858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2812 -0.3928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2792 -1.5683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3992 1.9470 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7320 -3.0391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -3.5391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9884 2.7549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.0391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4020 3.5650 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4487 2.2576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4504 3.2576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.5391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.0391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9448 0.3735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9402 -2.3265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3795 -0.0678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3764 -1.8798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2985 0.8710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7071 1.4053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6448 -0.8950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7835 -0.0292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9177 0.1095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9139 -2.0693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7802 -1.9336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6445 -1.0674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9600 1.5093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -3.5391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4484 2.3393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4499 3.1690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9644 4.0041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9465 1.8940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9495 3.6229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.7291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -5.8491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -5.8491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2374 5.8491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4381 5.1319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 20 1 1 1 0 0 0 2 14 1 0 0 0 0 2 15 1 0 0 0 0 3 12 1 0 0 0 0 3 16 1 0 0 0 0 4 13 1 0 0 0 0 4 16 1 0 0 0 0 5 11 1 0 0 0 0 25 5 1 6 0 0 0 15 6 1 6 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 22 2 0 0 0 0 7 24 1 0 0 0 0 8 21 2 0 0 0 0 8 29 1 0 0 0 0 9 28 1 0 0 0 0 9 29 2 0 0 0 0 10 28 1 0 0 0 0 10 50 1 0 0 0 0 10 51 1 0 0 0 0 11 52 1 0 0 0 0 11 53 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 30 1 6 0 0 0 13 15 1 0 0 0 0 13 31 1 6 0 0 0 14 17 1 6 0 0 0 14 32 1 0 0 0 0 15 33 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 20 23 1 0 0 0 0 20 26 1 0 0 0 0 20 42 1 0 0 0 0 21 24 1 0 0 0 0 22 43 1 0 0 0 0 23 25 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 24 28 2 0 0 0 0 25 27 1 0 0 0 0 25 46 1 0 0 0 0 26 27 2 0 0 0 0 26 47 1 0 0 0 0 27 48 1 0 0 0 0 29 49 1 0 0 0 0 M END $$$$