BVA86K -OEChem-04022117133D 40 41 0 0 0 0 0 0 0999 V2000 2.7049 2.3333 -0.9562 S 0 0 0 0 0 0 0 0 0 0 0 0 6.0770 -1.0191 0.4643 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3004 1.9253 0.9310 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6653 -1.3133 -0.1266 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4896 0.5097 0.4504 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6466 -0.4294 -0.9452 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4968 1.4052 -0.0268 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5217 -0.4433 1.3179 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7513 1.0095 -0.4357 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7682 -0.7086 0.5432 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7776 0.8164 0.8821 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3529 -1.6846 -1.0663 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3217 -0.2999 -0.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3160 2.8137 -0.1425 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1065 -2.0254 0.2063 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9849 -0.1828 0.9778 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7172 -1.4827 -0.6159 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4391 3.4408 -0.6352 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1507 -0.4312 0.2532 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8829 -1.7311 -1.3405 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0997 -1.2054 -0.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8147 -1.2971 1.6467 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8716 -1.3260 1.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7580 -0.3205 2.3833 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1944 -0.4632 0.4653 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6387 -2.4776 -1.3092 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0499 -1.5690 -1.9027 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1456 0.4130 -1.2164 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5742 3.3718 0.1118 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4131 -2.0896 1.0533 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6068 -2.9930 0.0853 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0381 0.4234 1.8783 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7749 -1.8961 -0.9657 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5770 4.4964 -0.8222 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0980 -0.0215 0.5912 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8431 -2.3334 -2.2434 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0072 -1.3986 -1.4704 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5432 -0.4953 1.7943 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3534 -2.2446 1.5491 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1497 -1.3286 2.5152 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 18 1 0 0 0 0 2 15 1 0 0 0 0 2 22 1 0 0 0 0 3 11 2 0 0 0 0 4 13 2 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 5 25 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 6 28 1 0 0 0 0 7 9 2 0 0 0 0 7 14 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 13 1 0 0 0 0 10 16 2 0 0 0 0 10 17 1 0 0 0 0 12 15 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 14 18 2 0 0 0 0 14 29 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 16 19 1 0 0 0 0 16 32 1 0 0 0 0 17 20 2 0 0 0 0 17 33 1 0 0 0 0 18 34 1 0 0 0 0 19 21 2 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 21 37 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 M END $$$$