B4VM9E -OEChem-04022106493D 38 39 0 0 0 0 0 0 0999 V2000 -1.5489 -2.3762 -0.8877 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.1775 -1.5689 0.2935 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.9631 0.3726 0.2144 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0103 -1.7083 -0.9087 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1377 0.6241 -1.1533 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9378 0.4642 -0.2591 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8505 -0.3489 0.7526 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5583 0.4669 0.0341 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8296 0.4722 0.6146 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0774 -0.2449 1.1332 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6746 1.1816 -0.7747 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7132 -0.2424 1.4233 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3103 1.1842 -0.4844 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4071 0.4750 0.9171 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7586 -0.6806 0.0822 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5502 1.6005 -0.9185 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5135 -0.3881 0.4401 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1069 -1.4698 -0.4872 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4700 -1.3048 0.1392 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4869 1.6146 -0.2695 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8086 1.8921 0.4144 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7636 -0.0151 -0.3155 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7398 -0.8018 1.7899 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0140 1.7363 -1.6448 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3537 -0.8001 2.2848 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6334 1.7439 -1.1256 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0885 1.2617 1.5979 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0203 -0.6673 1.1454 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6950 -0.6798 -0.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2497 -1.6228 -0.1507 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6369 1.6005 -0.7771 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1805 2.5484 -0.5112 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3586 1.5735 -1.9963 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7787 2.4205 -0.0471 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6370 1.5499 -1.3529 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2380 2.8360 0.0672 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5218 1.0851 0.2164 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6777 1.9413 1.5003 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 19 1 0 0 0 0 2 22 1 0 0 0 0 3 20 1 0 0 0 0 3 22 1 0 0 0 0 4 18 2 0 0 0 0 5 22 2 0 0 0 0 6 8 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 7 17 1 0 0 0 0 7 19 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 9 12 2 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 10 12 1 0 0 0 0 10 23 1 0 0 0 0 11 13 2 0 0 0 0 11 24 1 0 0 0 0 12 25 1 0 0 0 0 13 26 1 0 0 0 0 14 17 2 0 0 0 0 14 27 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 17 18 1 0 0 0 0 20 21 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 M END $$$$