BL8SM1 -OEChem-04012113302D 54 56 0 1 0 0 0 0 0999 V2000 4.7320 -2.0516 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 2.9484 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.9484 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 1.9484 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.6065 -2.3563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0090 0.1710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5913 -0.5335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0622 -0.5516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 -1.0516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.9484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1901 -1.5516 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9991 -2.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6065 -0.7469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6603 -1.0516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8081 -2.7272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4113 -2.9484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9126 -1.7326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6603 -2.0516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5968 -0.6381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7942 -0.5516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7942 -2.5516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9282 -1.0516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9282 -2.0516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 -1.0516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 -0.5516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -0.5516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -1.0516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 0.4484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -0.5516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 0.9484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 0.4484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 1.9484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1439 -0.4376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3554 -0.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4437 -3.2288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3097 -3.0916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1725 -2.2256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9097 -2.5840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0469 -3.4500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9129 -3.3128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1648 -2.2990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4790 -1.4805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6605 -1.1662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7942 0.0684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7942 -3.1716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3913 -2.3616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2612 0.7374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7976 -1.5266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5947 -1.5266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7287 -0.0767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9316 -0.0767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1350 0.7584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3291 -0.8616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 1.5684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 2 32 1 0 0 0 0 3 32 1 0 0 0 0 4 32 1 0 0 0 0 5 11 1 0 0 0 0 5 18 1 0 0 0 0 6 19 1 0 0 0 0 6 47 1 0 0 0 0 7 19 2 0 0 0 0 8 22 1 0 0 0 0 8 24 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 19 1 1 0 0 0 12 15 1 0 0 0 0 12 16 1 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 18 2 0 0 0 0 14 20 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 21 1 0 0 0 0 20 22 2 0 0 0 0 20 44 1 0 0 0 0 21 23 2 0 0 0 0 21 45 1 0 0 0 0 22 23 1 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 28 30 2 0 0 0 0 28 52 1 0 0 0 0 29 31 2 0 0 0 0 29 53 1 0 0 0 0 30 31 1 0 0 0 0 30 54 1 0 0 0 0 M END $$$$