B5A3ST -OEChem-04042103313D 42 44 0 1 0 0 0 0 0999 V2000 7.5126 -2.3790 0.7623 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.4992 2.2658 -0.7691 S 0 0 2 0 0 0 0 0 0 0 0 0 -5.0444 1.4305 0.7290 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5045 3.2998 0.3218 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4960 -3.1705 -0.0109 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1658 1.6743 -0.0749 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6701 -1.7799 -0.3639 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7946 -0.8735 0.3645 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9166 -0.0782 -0.6569 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9753 0.5790 0.0217 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1867 -0.4789 -0.3399 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9366 1.2277 -0.4867 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3459 0.4733 0.4048 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7645 1.0391 -0.3458 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0182 -2.0306 -0.0055 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1747 1.6087 -0.4731 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5309 3.0438 0.2047 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7975 -2.8804 -0.7551 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2632 0.6092 -0.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1889 -1.0853 0.7403 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7375 0.4764 1.1411 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7942 -0.1817 -1.1828 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7430 -0.4469 1.4272 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7998 -1.1050 -0.8968 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2743 -1.2376 0.4081 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6537 0.1854 -1.0237 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5835 0.6888 0.6767 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3299 2.0023 -1.4868 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2898 2.4778 0.1887 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3334 3.2419 1.2607 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9571 3.7205 -0.4315 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5862 3.2005 -0.0245 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3181 -3.8407 -0.7234 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4416 -2.7053 -1.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9453 -2.9181 -0.0695 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8260 -0.4975 0.0716 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3359 -0.7203 1.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4841 -2.1353 0.6875 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3298 1.0855 1.9435 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4310 -0.0888 -2.2029 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1023 -0.5401 2.4488 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2037 -1.7152 -1.7007 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 2 4 2 0 0 0 0 2 12 1 0 0 0 0 2 14 1 0 0 0 0 3 13 2 0 0 0 0 5 15 2 0 0 0 0 6 10 1 0 0 0 0 6 12 1 0 0 0 0 6 17 1 0 0 0 0 7 11 1 0 0 0 0 7 15 1 0 0 0 0 7 18 1 0 0 0 0 8 13 1 0 0 0 0 8 15 1 0 0 0 0 8 20 1 0 0 0 0 9 11 1 0 0 0 0 9 12 2 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 14 16 1 0 0 0 0 14 26 1 0 0 0 0 14 27 1 0 0 0 0 16 19 1 0 0 0 0 16 28 1 0 0 0 0 16 29 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 21 23 1 0 0 0 0 21 39 1 0 0 0 0 22 24 2 0 0 0 0 22 40 1 0 0 0 0 23 25 2 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0 M END $$$$