B1SOC2 -OEChem-04012114223D 44 46 0 1 0 0 0 0 0999 V2000 4.4115 4.1767 -0.2440 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.8317 -0.0077 -2.9275 S 0 0 0 0 0 0 0 0 0 0 0 0 4.1891 -1.6261 0.6754 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2026 0.9515 1.4053 O 0 5 0 0 0 0 0 0 0 0 0 0 -7.4780 -0.2836 -0.3884 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9936 -0.1680 -1.0462 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1771 -0.0377 -0.1820 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.7370 0.2974 0.4410 N 0 3 0 0 0 0 0 0 0 0 0 0 3.0022 -2.3699 0.3489 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7283 -1.6303 0.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6302 -0.2074 0.2479 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9811 0.4552 0.2302 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1558 -0.2763 0.4455 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0265 -2.7101 -1.1482 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1041 -3.6857 1.1384 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0769 1.8399 0.0154 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3966 0.3692 0.4633 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3170 2.4791 0.0211 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3713 -0.0855 -1.3139 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4768 1.7436 0.2473 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5845 0.0471 -0.0243 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1013 0.7672 1.0375 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4045 -0.5926 -0.9363 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4850 0.8506 1.1926 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7882 -0.5090 -0.7812 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3285 0.2124 0.2831 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7610 -1.5464 1.8954 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8301 -2.2125 0.5587 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0467 0.3786 0.9638 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1284 -3.2598 -1.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1137 -1.8170 -1.7735 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9023 -3.3238 -1.3905 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1570 -3.4916 2.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2479 -4.3405 0.9449 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0216 -4.2278 0.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5988 -0.2003 -1.8613 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1702 2.4187 -0.1514 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3076 -0.1971 0.6404 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4503 2.2267 0.2596 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7062 0.1778 0.6874 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4525 1.2689 1.7501 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0295 -1.2226 -1.7335 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8704 1.4217 2.0334 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4148 -1.0319 -1.4994 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 2 19 2 0 0 0 0 3 9 1 0 0 0 0 3 13 1 0 0 0 0 4 8 1 0 0 0 0 5 8 2 0 0 0 0 6 11 1 0 0 0 0 6 19 1 0 0 0 0 6 36 1 0 0 0 0 7 19 1 0 0 0 0 7 21 1 0 0 0 0 7 40 1 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 17 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 18 2 0 0 0 0 16 37 1 0 0 0 0 17 20 2 0 0 0 0 17 38 1 0 0 0 0 18 20 1 0 0 0 0 20 39 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 22 41 1 0 0 0 0 23 25 2 0 0 0 0 23 42 1 0 0 0 0 24 26 2 0 0 0 0 24 43 1 0 0 0 0 25 26 1 0 0 0 0 25 44 1 0 0 0 0 M CHG 2 4 -1 8 1 M END $$$$