BRB87Q -OEChem-04012119532D 39 41 0 0 0 0 0 0 0999 V2000 4.5981 0.9806 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 4.0194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 4.0194 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.9806 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.0194 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4921 2.7594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2353 3.4285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7000 1.7812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1863 3.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6511 1.4722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3942 2.1413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5411 3.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9230 3.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0314 2.3445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5263 3.9759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7467 3.8102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0804 1.7596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6137 1.1672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8060 3.1411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2726 3.7334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3600 0.9248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1397 1.0905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7228 1.6155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9691 2.3736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3334 2.8768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 1.2906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.2094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.2094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.8294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.8294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 2 0 0 0 0 2 3 1 0 0 0 0 2 12 1 0 0 0 0 3 14 2 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 4 35 1 0 0 0 0 5 22 3 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 6 23 1 0 0 0 0 7 9 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 10 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 11 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 14 34 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 17 36 1 0 0 0 0 18 20 2 0 0 0 0 18 37 1 0 0 0 0 19 21 2 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 M END $$$$