B84TPW -OEChem-04022105563D 36 38 0 0 0 0 0 0 0999 V2000 0.0269 4.8761 0.0163 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.2352 1.0517 1.4569 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.1916 -1.9907 2.5595 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.7683 -0.3581 -2.4251 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6281 -1.5719 -3.2049 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4548 0.7971 -2.9716 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7693 0.1410 -1.8070 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8746 -1.1142 0.6874 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3899 -1.4168 -0.5011 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6985 -1.5537 -0.3174 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0675 0.5390 0.5985 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7515 1.0137 -0.6745 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4317 -0.8929 0.8195 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7558 -0.8074 -0.9926 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0461 1.4056 1.6913 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4141 2.3552 -0.8548 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7089 2.7470 1.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3928 3.2219 0.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5135 0.1667 -0.3975 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7093 -2.1060 -0.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7953 -1.0418 1.6663 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2809 -0.1834 0.7136 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4765 -2.4561 0.5528 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2622 -1.4948 1.1887 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9631 -1.3273 1.0048 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9373 -1.5841 0.1325 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1497 -1.2186 1.8288 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5008 -0.5807 -1.7958 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2896 1.0504 2.6891 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1769 2.7293 -1.8481 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6955 3.4107 2.3717 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5281 1.1890 -0.7613 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0973 -2.8623 -1.0372 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5704 -0.8075 2.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4486 -3.4822 0.9109 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9644 -1.3803 1.4044 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 2 22 1 0 0 0 0 3 24 1 0 0 0 0 4 5 2 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 4 14 1 0 0 0 0 7 12 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 8 21 1 0 0 0 0 9 10 2 0 0 0 0 10 25 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 11 15 1 0 0 0 0 12 16 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 14 19 2 0 0 0 0 14 20 1 0 0 0 0 15 17 2 0 0 0 0 15 29 1 0 0 0 0 16 18 2 0 0 0 0 16 30 1 0 0 0 0 17 18 1 0 0 0 0 17 31 1 0 0 0 0 19 22 1 0 0 0 0 19 32 1 0 0 0 0 20 23 2 0 0 0 0 20 33 1 0 0 0 0 21 25 2 0 0 0 0 21 34 1 0 0 0 0 22 24 2 0 0 0 0 23 24 1 0 0 0 0 23 35 1 0 0 0 0 25 36 1 0 0 0 0 M END $$$$