BO84MS -OEChem-04022107393D 34 36 0 0 0 0 0 0 0999 V2000 -3.4068 1.9097 -1.9442 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0914 1.7490 0.7069 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0758 2.1530 1.3080 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1272 -1.5179 1.5021 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8477 0.1014 -0.0485 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7318 -0.4686 -0.0564 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0676 0.8495 0.2358 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3563 -0.9029 0.1325 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4332 -0.0438 0.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7278 -1.3307 -0.5217 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0355 -0.8647 -0.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3664 1.3282 0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3537 0.4619 -0.3872 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7674 1.3630 0.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9256 -0.5757 0.7376 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0960 -1.7894 -1.1828 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2395 -0.1403 -0.1496 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0521 0.6252 -0.9859 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7948 -1.1692 0.6113 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4199 0.3618 -1.0613 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1625 -1.4324 0.5359 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9751 -0.6670 -0.3004 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1138 -1.9346 -0.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4892 -2.3662 -0.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6121 2.3597 0.3102 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3689 0.8298 -0.5109 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8847 -1.2423 -1.7102 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6836 -2.5171 -1.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5461 -2.3296 -0.3439 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5071 0.8630 -0.6321 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2412 -1.8089 1.2825 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0671 0.9491 -1.7079 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5964 -2.2332 1.1278 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0401 -0.8720 -0.3589 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 2 7 1 0 0 0 0 2 14 1 0 0 0 0 3 14 2 0 0 0 0 4 15 2 0 0 0 0 5 15 1 0 0 0 0 5 17 1 0 0 0 0 5 30 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 7 12 1 0 0 0 0 8 9 2 0 0 0 0 8 23 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 10 11 2 0 0 0 0 10 24 1 0 0 0 0 11 13 1 0 0 0 0 11 16 1 0 0 0 0 12 13 2 0 0 0 0 12 25 1 0 0 0 0 13 26 1 0 0 0 0 16 27 1 0 0 0 0 16 28 1 0 0 0 0 16 29 1 0 0 0 0 17 18 1 0 0 0 0 17 19 2 0 0 0 0 18 20 2 0 0 0 0 19 21 1 0 0 0 0 19 31 1 0 0 0 0 20 22 1 0 0 0 0 20 32 1 0 0 0 0 21 22 2 0 0 0 0 21 33 1 0 0 0 0 22 34 1 0 0 0 0 M END $$$$