B2UR5E -OEChem-04022108212D 42 44 0 0 0 0 0 0 0999 V2000 8.1282 2.4915 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.7872 -2.6072 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.4674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.4674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2772 -3.4674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2972 -1.7470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3465 -0.5672 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 0.9465 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3580 2.5020 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.9674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3580 0.4327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2067 -1.0772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9270 -2.0972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.9674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.4674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0784 -0.5873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1951 -2.0772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9386 -1.0972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0553 -2.5871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.9674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.4674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.9674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6474 -3.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 1.9882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.9674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.4674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8060 -0.8710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.1526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0856 0.0327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6546 -2.3809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4791 -0.7935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0481 -3.2071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.0873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -3.6505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1807 -3.4333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9636 -2.5838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.5043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.2774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.4304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 3.4674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.0874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 3.4674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 2 5 2 0 0 0 0 2 6 2 0 0 0 0 2 13 1 0 0 0 0 2 23 1 0 0 0 0 3 20 1 0 0 0 0 3 25 1 0 0 0 0 4 22 1 0 0 0 0 4 26 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 7 27 1 0 0 0 0 8 11 2 0 0 0 0 8 24 1 0 0 0 0 9 14 1 0 0 0 0 9 24 2 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 10 15 2 0 0 0 0 12 16 2 0 0 0 0 12 17 1 0 0 0 0 13 18 2 0 0 0 0 13 19 1 0 0 0 0 14 21 2 0 0 0 0 15 20 1 0 0 0 0 15 28 1 0 0 0 0 16 18 1 0 0 0 0 16 29 1 0 0 0 0 17 19 2 0 0 0 0 17 30 1 0 0 0 0 18 31 1 0 0 0 0 19 32 1 0 0 0 0 20 22 2 0 0 0 0 21 22 1 0 0 0 0 21 33 1 0 0 0 0 23 34 1 0 0 0 0 23 35 1 0 0 0 0 23 36 1 0 0 0 0 25 37 1 0 0 0 0 25 38 1 0 0 0 0 25 39 1 0 0 0 0 26 40 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 M END $$$$