B6C9ME -OEChem-04012119532D 41 42 0 0 0 0 0 0 0999 V2000 4.5981 0.9159 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 3.9548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 3.9548 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.9159 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.0841 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1863 3.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2353 3.3638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9295 3.7240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4921 2.6947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8805 3.4149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5411 3.0037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.4159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6237 4.0841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.4159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9230 3.0037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.0841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.0841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8952 2.5074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6749 2.6731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5263 3.9113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7467 3.7456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2205 4.2714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4409 4.1057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2011 2.1473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9807 2.3130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5894 2.8675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3691 3.0332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0385 3.6233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0844 4.4989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2088 4.5448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3334 2.8121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 1.2259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.2741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.2741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.8941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.8941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 3 1 0 0 0 0 2 11 1 0 0 0 0 3 15 2 0 0 0 0 4 14 1 0 0 0 0 4 16 1 0 0 0 0 4 37 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 23 1 0 0 0 0 6 24 1 0 0 0 0 7 9 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 10 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 11 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 13 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 12 2 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 15 36 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 38 1 0 0 0 0 18 20 2 0 0 0 0 18 39 1 0 0 0 0 19 21 2 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 M END $$$$