BR2EP3 -OEChem-04022108382D 47 49 0 0 0 0 0 0 0999 V2000 8.1282 2.8164 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.7872 -2.2823 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.2772 -3.1425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2972 -1.4221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.7922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.7922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6474 -2.7923 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3465 -0.2424 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 1.2714 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3580 2.8269 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9270 -1.7723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2067 -0.7524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.2922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3580 0.7576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9386 -0.7724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0553 -2.2623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0784 -0.2624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1951 -1.7523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.2922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.7922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.2922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.7922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.2922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6358 -3.7922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5192 -2.3023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 2.3130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.2922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.7922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4791 -0.4686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0481 -2.8822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8060 -0.5461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0856 0.3576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6546 -2.0561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.1722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.4122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0159 -3.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6287 -4.4122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2558 -3.7994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8229 -2.8428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0596 -1.9986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2154 -1.7618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.8292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.6022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.7553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 3.7922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.4122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 3.7922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 2 7 1 0 0 0 0 2 11 1 0 0 0 0 5 21 1 0 0 0 0 5 27 1 0 0 0 0 6 23 1 0 0 0 0 6 28 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 12 1 0 0 0 0 8 14 1 0 0 0 0 8 31 1 0 0 0 0 9 14 2 0 0 0 0 9 26 1 0 0 0 0 10 19 1 0 0 0 0 10 26 2 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 12 17 2 0 0 0 0 12 18 1 0 0 0 0 13 14 1 0 0 0 0 13 19 1 0 0 0 0 13 20 2 0 0 0 0 15 17 1 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 32 1 0 0 0 0 18 33 1 0 0 0 0 19 22 2 0 0 0 0 20 21 1 0 0 0 0 20 34 1 0 0 0 0 21 23 2 0 0 0 0 22 23 1 0 0 0 0 22 35 1 0 0 0 0 24 36 1 0 0 0 0 24 37 1 0 0 0 0 24 38 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 27 42 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 28 45 1 0 0 0 0 28 46 1 0 0 0 0 28 47 1 0 0 0 0 M END $$$$