B6TBJ1 -OEChem-04022109393D 46 49 0 0 0 0 0 0 0999 V2000 -3.5131 2.8820 -0.5204 P 0 0 0 0 0 0 0 0 0 0 0 0 -1.0465 1.6830 -0.3736 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8206 1.6164 -1.4980 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4899 2.5473 0.7388 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8754 4.1975 -1.1764 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1296 -0.3253 -0.2624 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4812 1.3661 0.2685 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7778 -2.0570 -0.6923 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5034 1.0359 0.2880 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0474 -1.2199 -0.3695 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0838 -1.0678 -0.5179 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2294 0.9879 0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7899 -1.5409 0.7594 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4013 -0.8147 -0.3537 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2243 0.2493 -0.0207 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1154 1.8402 0.3131 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0070 -2.3924 0.4921 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5953 0.0129 -0.0364 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0243 2.9045 1.1799 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8888 2.6576 0.0593 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2773 3.4354 1.0152 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2596 -1.7944 0.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8794 -3.7771 0.3829 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1242 -2.1643 -0.6724 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3847 -2.5812 0.1069 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0044 -4.5638 0.1357 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2570 -3.9659 -0.0022 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9238 0.8486 0.2881 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7411 -0.4778 -1.1626 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1908 -1.9413 -1.1234 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0828 -0.6804 1.3745 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0857 -2.1075 1.3836 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7930 3.2612 1.8516 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7132 4.2793 1.5302 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3709 -0.7164 0.4358 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9084 -4.2541 0.4864 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5217 -3.1391 -0.9342 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1235 1.9436 0.5314 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3599 -2.1154 -0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9050 -5.6420 0.0501 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1329 -4.5785 -0.1948 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2199 0.0784 1.0076 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4220 1.7808 0.5713 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2841 0.5648 -0.7059 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6804 1.5859 -1.9692 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4570 2.6669 0.6267 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 2 0 0 0 0 1 20 1 0 0 0 0 2 16 1 0 0 0 0 2 20 1 0 0 0 0 3 45 1 0 0 0 0 4 46 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 6 14 1 0 0 0 0 7 12 2 0 0 0 0 7 15 1 0 0 0 0 8 14 2 0 0 0 0 8 24 1 0 0 0 0 9 18 1 0 0 0 0 9 28 1 0 0 0 0 9 38 1 0 0 0 0 10 18 1 0 0 0 0 10 24 2 0 0 0 0 11 13 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 16 1 0 0 0 0 13 17 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 15 18 2 0 0 0 0 16 19 2 0 0 0 0 17 22 2 0 0 0 0 17 23 1 0 0 0 0 19 21 1 0 0 0 0 19 33 1 0 0 0 0 20 21 2 0 0 0 0 21 34 1 0 0 0 0 22 25 1 0 0 0 0 22 35 1 0 0 0 0 23 26 2 0 0 0 0 23 36 1 0 0 0 0 24 37 1 0 0 0 0 25 27 2 0 0 0 0 25 39 1 0 0 0 0 26 27 1 0 0 0 0 26 40 1 0 0 0 0 27 41 1 0 0 0 0 28 42 1 0 0 0 0 28 43 1 0 0 0 0 28 44 1 0 0 0 0 M END $$$$