BJ6C3D -OEChem-04012115282D 52 56 0 0 0 0 0 0 0999 V2000 9.2036 -1.2060 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 1.3308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -0.4013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1200 -1.2673 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1498 0.0987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8819 0.0987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1498 -0.9013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6200 -0.4013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7479 0.5987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0159 0.5987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2036 0.4034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6200 -0.4013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8819 -0.9013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0159 -1.4013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4800 0.5987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6139 0.0987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4800 1.5987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7479 1.5987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1200 -1.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6139 2.0987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3739 0.0640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6200 -0.4013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6200 -0.4013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3739 2.1334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6200 -2.1334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2800 0.5779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2800 1.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1200 -1.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1200 0.4647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6200 -2.1334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1200 0.4647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0159 1.2187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0110 0.9928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7277 0.2093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0374 -0.1893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4188 -1.2113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0159 -2.0213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6139 -0.5213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2110 1.9087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4300 -1.8043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6139 2.7187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3667 -0.5559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9300 0.1356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3667 2.7533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9300 -2.6703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8157 0.2658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -1.2673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7026 0.6768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0123 1.0753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8157 1.9316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3100 -2.6703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.3308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 2 31 1 0 0 0 0 2 52 1 0 0 0 0 3 31 2 0 0 0 0 4 12 1 0 0 0 0 4 19 1 0 0 0 0 4 40 1 0 0 0 0 5 7 2 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 6 9 1 0 0 0 0 6 10 2 0 0 0 0 6 13 1 0 0 0 0 7 14 1 0 0 0 0 8 11 2 0 0 0 0 8 12 1 0 0 0 0 9 16 2 0 0 0 0 9 18 1 0 0 0 0 10 32 1 0 0 0 0 11 33 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 14 2 0 0 0 0 13 36 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 21 2 0 0 0 0 16 38 1 0 0 0 0 17 20 1 0 0 0 0 17 24 2 0 0 0 0 18 20 2 0 0 0 0 18 39 1 0 0 0 0 19 22 1 0 0 0 0 19 25 2 0 0 0 0 20 41 1 0 0 0 0 21 26 1 0 0 0 0 21 42 1 0 0 0 0 22 23 2 0 0 0 0 22 43 1 0 0 0 0 23 28 1 0 0 0 0 23 29 1 0 0 0 0 24 27 1 0 0 0 0 24 44 1 0 0 0 0 25 30 1 0 0 0 0 25 45 1 0 0 0 0 26 27 2 0 0 0 0 26 46 1 0 0 0 0 27 50 1 0 0 0 0 28 30 2 0 0 0 0 28 47 1 0 0 0 0 29 31 1 0 0 0 0 29 48 1 0 0 0 0 29 49 1 0 0 0 0 30 51 1 0 0 0 0 M END $$$$