B90AMS -OEChem-04042105493D 41 40 0 1 0 0 0 0 0999 V2000 -0.2077 -0.5245 -1.8716 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0152 -2.6262 0.6668 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1495 -2.6738 -0.0781 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6847 -0.0314 0.2144 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8418 1.7370 -1.0770 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0913 0.2697 0.7117 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0159 -0.5365 -0.0322 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8170 -0.4023 -0.3494 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0824 1.8060 0.5426 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6221 0.5579 -0.2352 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.1475 0.1639 0.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3252 -0.0683 -0.7356 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2443 2.1512 -0.9427 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8245 2.4797 1.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9794 0.5589 1.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3050 -0.8260 0.0541 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1379 -2.0354 0.1923 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0076 0.0493 1.7851 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0798 -0.1077 0.4162 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1897 -0.4216 -1.1103 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5729 -1.3305 0.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9572 -0.6968 -1.3987 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9469 2.2014 1.0908 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4869 0.8827 0.8002 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4249 1.0587 -0.3774 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4541 0.2312 1.1677 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3757 3.2319 -1.0669 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3717 1.8581 -1.5352 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1276 1.6606 -1.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0174 3.5506 1.2231 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5454 2.0771 2.0648 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9711 2.4153 0.4075 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9461 0.8314 2.1005 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3306 1.4320 1.7772 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5656 -0.2642 2.2543 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1138 -1.7407 0.6254 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2412 -0.3878 0.4158 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4490 -1.1061 -0.9946 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0542 2.3774 -0.9796 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6560 2.2524 -0.7465 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1273 -3.5948 0.7735 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 17 1 0 0 0 0 2 41 1 0 0 0 0 3 17 2 0 0 0 0 4 7 1 0 0 0 0 4 12 1 0 0 0 0 4 26 1 0 0 0 0 5 10 1 0 0 0 0 5 39 1 0 0 0 0 5 40 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 7 17 1 0 0 0 0 7 20 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 9 23 1 0 0 0 0 10 12 1 0 0 0 0 10 24 1 0 0 0 0 11 15 1 0 0 0 0 11 16 1 0 0 0 0 11 25 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 M END $$$$