B5WSL2 -OEChem-04012113362D 40 42 0 1 0 0 0 0 0999 V2000 2.8940 -0.0194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4921 0.4806 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 2.0684 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4057 0.0738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5966 1.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0748 0.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5748 1.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6261 -0.0194 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6261 -1.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 0.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 1.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 -1.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4921 -1.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5691 2.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 -2.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4921 -2.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2601 3.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2601 3.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6261 -3.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.7594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0957 -0.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9073 -0.2906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5319 2.0917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9766 1.4751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4897 0.3562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5764 1.1814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1412 1.9352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3832 2.2727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6261 0.6006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2231 -1.2094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0291 -1.2094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1588 1.8768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2231 -2.8294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0291 -2.8294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8956 3.5210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6245 3.5210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8084 2.3490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4103 1.5678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1916 1.1697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6261 -3.6394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 2 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 8 1 0 0 0 0 3 11 1 0 0 0 0 3 17 1 0 0 0 0 3 20 1 0 0 0 0 4 6 1 0 0 0 0 4 21 1 0 0 0 0 4 22 1 0 0 0 0 5 7 1 0 0 0 0 5 23 1 0 0 0 0 5 24 1 0 0 0 0 6 7 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 1 0 0 0 8 29 1 0 0 0 0 9 12 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 11 14 2 0 0 0 0 12 15 1 0 0 0 0 12 30 1 0 0 0 0 13 16 2 0 0 0 0 13 31 1 0 0 0 0 14 18 1 0 0 0 0 14 32 1 0 0 0 0 15 19 2 0 0 0 0 15 33 1 0 0 0 0 16 19 1 0 0 0 0 16 34 1 0 0 0 0 17 18 2 0 0 0 0 17 35 1 0 0 0 0 18 36 1 0 0 0 0 19 40 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 M END $$$$