B7RAI4 -OEChem-04022118363D 36 38 0 0 0 0 0 0 0999 V2000 -7.8393 -1.9704 -0.0804 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.0404 -0.5609 -0.0225 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3990 -0.7104 -0.0381 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3612 -0.6187 -0.0447 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8699 -2.3733 -0.1220 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0051 3.1756 0.1521 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0904 1.9486 0.0886 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4066 0.4647 0.0295 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0444 0.7675 0.0378 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6408 1.9803 0.0969 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0555 1.7939 0.0914 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7239 -0.1258 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4344 0.7725 0.0346 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1122 -1.0107 1.0089 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6083 0.1884 -1.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3849 -1.5811 0.9831 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8809 -0.3820 -1.0549 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0965 -0.0616 -0.0115 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3441 3.0671 0.1436 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2692 -1.2667 -0.0488 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1113 -1.1756 -0.0668 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4512 -1.5455 -0.0914 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7544 -0.7759 -0.0596 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7748 2.6032 0.1324 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4445 -1.2633 1.8292 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3224 0.8738 -1.8235 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2481 0.5853 -0.8811 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2526 0.5003 0.9146 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6748 -2.2671 1.7749 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5594 -0.1284 -1.8654 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8949 4.0001 0.1864 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3966 -2.2170 0.7727 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3910 -2.1336 -1.0139 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6107 -1.4552 -0.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8211 -0.1685 0.8491 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8156 -0.0864 -0.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 8 1 0 0 0 0 2 9 1 0 0 0 0 3 13 1 0 0 0 0 3 18 1 0 0 0 0 4 21 1 0 0 0 0 4 22 1 0 0 0 0 5 21 2 0 0 0 0 6 10 1 0 0 0 0 6 19 2 0 0 0 0 7 13 2 0 0 0 0 7 19 1 0 0 0 0 8 11 2 0 0 0 0 8 12 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 11 24 1 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 14 16 1 0 0 0 0 14 25 1 0 0 0 0 15 17 2 0 0 0 0 15 26 1 0 0 0 0 16 20 2 0 0 0 0 16 29 1 0 0 0 0 17 20 1 0 0 0 0 17 30 1 0 0 0 0 18 21 1 0 0 0 0 18 27 1 0 0 0 0 18 28 1 0 0 0 0 19 31 1 0 0 0 0 22 23 1 0 0 0 0 22 32 1 0 0 0 0 22 33 1 0 0 0 0 23 34 1 0 0 0 0 23 35 1 0 0 0 0 23 36 1 0 0 0 0 M END $$$$