D0MS8T -OEChem-10101305032D 46 49 0 1 0 0 0 0 0999 V2000 7.9244 0.0212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6138 -0.9294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3246 -2.0861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 0.5593 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -3.1575 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3116 2.3838 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.5673 1.7160 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.3610 2.6945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2901 2.5901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2566 0.7655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9579 1.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6007 3.5406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 -0.3913 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9889 -0.5975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9364 2.0520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5792 3.7468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -1.5480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2471 3.0025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6353 -1.1356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.8527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -2.3527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.8527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.3527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.3527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.8527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.8527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3451 3.0029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9482 1.7495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4484 3.3083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7414 2.6739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8640 1.0207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7653 1.2564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1867 4.0020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5534 0.0702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9684 0.0222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3751 -0.5101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3505 1.5905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7719 4.3361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8538 3.1304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -2.3527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 -3.7468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.9727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0279 -1.3908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.5427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.1627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 2 0 0 0 0 2 19 1 0 0 0 0 2 44 1 0 0 0 0 3 19 2 0 0 0 0 4 10 1 0 0 0 0 13 4 1 6 0 0 0 4 31 1 0 0 0 0 5 21 1 0 0 0 0 5 22 1 0 0 0 0 5 41 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 28 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 11 15 1 0 0 0 0 11 32 1 0 0 0 0 12 16 2 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 19 1 0 0 0 0 13 34 1 0 0 0 0 14 17 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 18 2 0 0 0 0 15 37 1 0 0 0 0 16 18 1 0 0 0 0 16 38 1 0 0 0 0 17 20 1 0 0 0 0 17 21 2 0 0 0 0 18 39 1 0 0 0 0 20 22 1 0 0 0 0 20 23 2 0 0 0 0 21 40 1 0 0 0 0 22 24 2 0 0 0 0 23 25 1 0 0 0 0 23 42 1 0 0 0 0 24 26 1 0 0 0 0 24 43 1 0 0 0 0 25 26 2 0 0 0 0 25 45 1 0 0 0 0 26 46 1 0 0 0 0 M END $$$$