D07EBU -OEChem-10101305022D 40 42 0 1 0 0 0 0 0999 V2000 4.6717 -1.9672 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4806 -0.5906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9960 -0.7748 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2529 -0.4043 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9868 1.1911 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2456 2.1570 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2548 0.1911 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5090 3.1396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7548 1.0571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8188 0.4323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0776 1.3982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0300 -1.0336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 -1.9149 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7071 -2.1737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4142 -0.9490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6207 -2.9135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4483 -3.1396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.4666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7668 0.3701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4656 2.9781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7466 -0.1863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8268 3.6720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8959 3.2316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4841 1.6149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2070 0.7666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6067 -0.1503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4101 0.2458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6689 1.2118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2896 1.9808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4344 -1.2132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1455 -2.6121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0016 -2.8811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5882 -3.5327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2398 -2.9460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8494 -2.9792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2878 -3.7385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0472 -3.3001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4384 -1.0282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5616 -1.0282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5616 -1.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 2 15 2 0 0 0 0 7 3 1 1 0 0 0 3 12 1 0 0 0 0 3 30 1 0 0 0 0 4 12 2 0 0 0 0 4 15 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 10 1 0 0 0 0 5 19 1 1 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 11 1 0 0 0 0 6 20 1 6 0 0 0 7 9 1 0 0 0 0 7 21 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 11 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 6 0 0 0 14 17 1 0 0 0 0 14 18 1 0 0 0 0 14 31 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 M END $$$$