BRLE47 -OEChem-04042105383D 35 37 0 0 0 0 0 0 0999 V2000 -8.1351 1.2195 -0.0583 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.4764 -1.2077 0.3347 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.2590 0.5429 -0.8828 S 0 0 0 0 0 0 0 0 0 0 0 0 2.6847 -2.5642 -0.1364 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1429 -0.9718 1.7263 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3328 -0.4559 -0.6903 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5406 -1.5545 0.4022 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9078 -1.4514 0.5893 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9561 -0.3060 -0.0261 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2729 0.8375 0.7074 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4391 1.5477 0.4227 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8057 -0.7391 -1.0441 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2886 1.1148 -0.5954 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9719 -0.0286 -1.3287 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0759 -0.5776 -0.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7952 -0.0088 -0.0347 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7781 2.7703 1.2066 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4072 -0.4016 -0.0273 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1469 1.3033 -0.3513 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7856 -0.9412 0.2744 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4890 1.6832 -0.3587 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1277 -0.5614 0.2671 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4793 0.7509 -0.0494 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6120 1.1865 1.4967 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5756 -1.6224 -1.6329 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5886 0.3992 -1.1989 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1990 1.6606 -0.8286 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6323 -0.3646 -2.1229 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8602 2.9377 1.2337 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4428 2.6769 2.2452 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3000 3.6475 0.7597 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4232 2.0808 -0.5763 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5358 -1.9703 0.5213 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7490 2.7103 -0.6019 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8889 -1.2985 0.5094 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 4 2 0 0 0 0 2 5 2 0 0 0 0 2 6 1 0 0 0 0 2 9 1 0 0 0 0 3 15 1 0 0 0 0 3 18 1 0 0 0 0 6 15 1 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 15 2 0 0 0 0 8 18 2 0 0 0 0 9 10 1 0 0 0 0 9 12 2 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 17 1 0 0 0 0 12 14 1 0 0 0 0 12 25 1 0 0 0 0 13 14 2 0 0 0 0 13 27 1 0 0 0 0 14 28 1 0 0 0 0 16 18 1 0 0 0 0 16 19 2 0 0 0 0 16 20 1 0 0 0 0 17 29 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 19 21 1 0 0 0 0 19 32 1 0 0 0 0 20 22 2 0 0 0 0 20 33 1 0 0 0 0 21 23 2 0 0 0 0 21 34 1 0 0 0 0 22 23 1 0 0 0 0 22 35 1 0 0 0 0 M END $$$$