BU5SB3 -OEChem-04012117212D 38 38 0 1 0 0 0 0 0999 V2000 2.0000 0.5578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0503 -2.3849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0823 -1.6855 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 1.5759 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5855 -0.7376 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0229 0.2916 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 -0.1467 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2733 -1.0977 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5823 -0.1467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8913 -1.0977 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3222 -1.4068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9945 0.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8424 -1.4068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8135 2.3849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3958 1.6804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5366 -1.0466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3776 0.2405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2797 -0.3775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9699 -0.2437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1763 -1.7101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1888 -0.0178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5175 0.4699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9883 -1.7101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0823 -2.3055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1306 -0.8171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7326 -1.5983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5138 -1.9964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3151 2.7493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4490 2.8865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3119 2.0205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4606 1.0638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0124 1.7452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3310 2.2970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2455 -1.5941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0252 -1.4284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9841 0.3694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2487 0.8470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7712 0.1116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 13 2 0 0 0 0 3 8 1 0 0 0 0 3 10 1 0 0 0 0 3 24 1 0 0 0 0 4 12 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 13 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 6 18 3 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 1 0 0 0 7 19 1 0 0 0 0 8 11 1 1 0 0 0 8 20 1 0 0 0 0 9 10 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 10 13 1 1 0 0 0 10 23 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 16 18 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 M END $$$$