BA80BS -OEChem-04022104533D 45 48 0 0 0 0 0 0 0999 V2000 -7.0542 -4.0968 -0.0110 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.4682 3.4931 0.0453 S 0 0 0 0 0 0 0 0 0 0 0 0 5.9149 -0.9323 -0.0321 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0919 1.7711 0.0170 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8946 2.6887 0.0294 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6454 1.0425 0.0189 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1456 -1.6290 0.2455 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3441 -2.7743 -0.3507 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2766 -0.4051 -0.0313 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8983 -2.3922 -0.0465 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7821 -0.1465 -0.0196 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8978 1.2435 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5206 -0.7414 -0.0216 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7516 2.0386 0.0077 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3746 0.0536 -0.0089 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4901 1.4436 0.0057 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2951 2.2724 0.0182 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7570 -0.2150 0.0158 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0265 1.0197 0.0244 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2412 2.2933 0.0298 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0150 -0.2769 -0.5834 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2093 -1.3536 0.6068 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6496 2.2500 0.0389 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7254 -1.4773 -0.5915 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9195 -2.5540 0.5986 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1776 -2.6158 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1466 -1.5388 -0.1855 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2512 -1.7756 1.3274 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6171 -3.7481 0.0652 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5012 -2.8098 -1.4357 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4447 0.3456 0.7482 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5159 0.0243 -1.0107 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2413 -2.8054 -0.8192 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5959 -2.7761 0.9344 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8590 1.7483 -0.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3846 -1.8187 -0.0246 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8573 3.1204 0.0171 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4049 -0.4371 -0.0091 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4511 3.3675 0.0291 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6633 3.6784 0.0384 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4674 0.5835 -1.0696 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2326 -1.3291 1.0843 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7018 2.4982 0.0581 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7030 -1.5122 -1.0654 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4809 -3.4331 1.0638 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 2 20 1 0 0 0 0 2 23 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 4 5 1 0 0 0 0 4 17 2 0 0 0 0 5 20 1 0 0 0 0 5 40 1 0 0 0 0 6 19 1 0 0 0 0 6 20 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 10 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 12 35 1 0 0 0 0 13 15 2 0 0 0 0 13 36 1 0 0 0 0 14 16 2 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 21 2 0 0 0 0 18 22 1 0 0 0 0 19 23 2 0 0 0 0 21 24 1 0 0 0 0 21 41 1 0 0 0 0 22 25 2 0 0 0 0 22 42 1 0 0 0 0 23 43 1 0 0 0 0 24 26 2 0 0 0 0 24 44 1 0 0 0 0 25 26 1 0 0 0 0 25 45 1 0 0 0 0 M END $$$$