B9AKE2 -OEChem-04012118502D 48 51 0 0 0 0 0 0 0999 V2000 17.4182 -1.5328 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.9784 0.3739 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.3560 -0.0328 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.6011 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -1.9672 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 -0.2351 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 13.0881 -1.0328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8366 0.3934 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8147 0.6013 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6240 -0.0328 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.9541 0.4672 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4900 1.4672 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -0.2647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.6011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3092 -0.3693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6456 -1.0079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8919 -0.0328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8092 -1.2353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7874 -1.0274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.1011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0934 1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7579 0.4672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7579 1.4672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4900 0.4672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8201 -0.0328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2221 0.4672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6240 1.9672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0881 -0.0328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6862 0.4672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8201 -1.0328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5522 -0.0328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6862 -1.5328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5522 -1.0328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7745 -1.6143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5571 -1.8017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2482 -1.4422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5083 1.5233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6327 1.4774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6786 0.6018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2210 1.7772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6206 0.9421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8235 0.9421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6240 2.5872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9541 1.0872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6862 1.0872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2832 -1.3428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0891 0.2772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6862 -2.1528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 33 1 0 0 0 0 2 15 1 0 0 0 0 2 17 1 0 0 0 0 3 24 1 0 0 0 0 3 26 1 0 0 0 0 4 20 1 0 0 0 0 5 20 1 0 0 0 0 6 20 1 0 0 0 0 7 28 2 0 0 0 0 8 9 1 0 0 0 0 8 14 1 0 0 0 0 8 21 1 0 0 0 0 9 13 2 0 0 0 0 10 22 2 0 0 0 0 10 24 1 0 0 0 0 11 25 1 0 0 0 0 11 28 1 0 0 0 0 11 44 1 0 0 0 0 12 24 2 0 0 0 0 12 27 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 14 16 2 0 0 0 0 14 20 1 0 0 0 0 15 18 2 0 0 0 0 16 34 1 0 0 0 0 17 19 2 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 19 36 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 23 27 2 0 0 0 0 23 40 1 0 0 0 0 25 29 2 0 0 0 0 25 30 1 0 0 0 0 26 28 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 27 43 1 0 0 0 0 29 31 1 0 0 0 0 29 45 1 0 0 0 0 30 32 2 0 0 0 0 30 46 1 0 0 0 0 31 33 2 0 0 0 0 31 47 1 0 0 0 0 32 33 1 0 0 0 0 32 48 1 0 0 0 0 M END $$$$