B79DKV -OEChem-04022112523D 54 55 0 1 0 0 0 0 0999 V2000 1.2014 -2.1709 2.2215 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.7080 -3.3309 0.3453 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.1057 3.6467 0.8505 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4830 1.9469 1.5291 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3050 -0.2812 0.3523 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5032 2.7330 -1.2734 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3125 -0.5798 -0.7996 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3030 2.7069 -0.0728 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2267 2.5918 -1.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3974 1.4511 0.8043 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6670 2.2929 -0.8834 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8391 1.1540 1.2103 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7557 1.0491 -0.0046 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8601 2.9525 -0.5098 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7002 3.7966 -0.0113 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2788 2.4569 -0.5090 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5798 1.3989 0.5769 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1790 0.1010 0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6419 -1.8439 -1.4164 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2360 -3.0387 -0.5569 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7503 -3.1010 -0.2998 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2033 -2.7269 0.9276 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0813 -3.5464 -1.3273 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1753 -2.7979 1.1274 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4599 -3.6175 -1.1275 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0069 -3.2432 0.0999 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6601 3.5675 0.5112 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8674 1.7959 -1.9579 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2039 3.5234 -1.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7966 1.5618 1.7138 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9946 0.5849 0.2632 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2834 2.1557 -1.7789 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0783 3.1532 -0.3413 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2021 1.9475 1.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8753 0.2185 1.7799 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7904 0.9029 0.3252 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4801 0.1658 -0.5938 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8339 3.6709 -1.3362 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4315 2.0107 -0.8608 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5615 4.4911 -0.8484 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4008 4.2772 0.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5921 2.0226 -1.2405 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6640 1.1310 1.1151 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2985 3.3921 -2.0238 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8311 1.8813 -1.7269 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3872 -0.1993 -0.9739 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7208 -1.8776 -1.6042 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1346 -1.8664 -2.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2711 2.2524 1.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5313 -3.9601 -1.0772 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8200 -3.0505 0.3686 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3309 -3.8418 -2.2887 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6039 -2.5049 2.0835 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0958 -3.9662 -1.9371 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 26 1 0 0 0 0 3 14 1 0 0 0 0 3 15 1 0 0 0 0 4 17 1 0 0 0 0 4 49 1 0 0 0 0 5 18 2 0 0 0 0 6 16 1 0 0 0 0 6 44 1 0 0 0 0 6 45 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 7 46 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 8 27 1 0 0 0 0 9 11 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 12 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 13 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 19 20 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 21 1 0 0 0 0 20 50 1 0 0 0 0 20 51 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 23 25 2 0 0 0 0 23 52 1 0 0 0 0 24 26 2 0 0 0 0 24 53 1 0 0 0 0 25 26 1 0 0 0 0 25 54 1 0 0 0 0 M END $$$$