LE0MS5 -OEChem-05022322343D 38 41 0 1 0 0 0 0 0999 V2000 -2.5831 -1.8309 -0.4955 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5698 1.7192 -0.2365 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5900 -0.6164 -0.1620 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8936 -0.9925 0.4406 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7469 -0.4154 -0.6513 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4078 -0.9408 0.3363 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0780 0.1473 -0.3331 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2423 0.2905 0.2491 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3301 -2.1207 0.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6417 0.3565 0.1504 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2068 -0.6716 -0.3641 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2040 1.4964 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3921 -0.8433 0.1399 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7211 -2.0739 0.2285 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3128 1.5870 0.0618 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7914 -0.7773 0.0411 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4617 -0.1414 -0.0641 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4587 2.0267 0.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4417 0.4539 -0.0462 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5877 1.2078 0.2669 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7037 1.6339 -0.0358 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8915 0.5050 -0.1479 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2969 -0.9761 1.4495 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2415 0.0170 -1.5107 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3438 1.2081 0.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1651 -3.0857 0.3958 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1343 -1.7238 -0.6253 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3306 2.1427 0.0254 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2772 -3.0090 0.2229 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7554 2.5216 0.0681 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3581 -1.7067 0.0341 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3410 -0.7784 -0.0896 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5569 3.0771 0.5558 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5647 1.6208 0.5002 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1580 2.6164 -0.1011 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1136 2.6228 -0.2334 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5819 1.7339 -0.3087 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5844 -0.3755 -0.2398 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 22 1 0 0 0 0 2 36 1 0 0 0 0 2 37 1 0 0 0 0 3 22 2 0 0 0 0 3 38 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 23 1 0 0 0 0 5 7 1 0 0 0 0 5 24 1 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 7 11 2 0 0 0 0 7 12 1 0 0 0 0 8 10 1 0 0 0 0 8 25 1 0 0 0 0 9 14 2 0 0 0 0 9 26 1 0 0 0 0 10 13 2 0 0 0 0 10 15 1 0 0 0 0 11 17 1 0 0 0 0 11 27 1 0 0 0 0 12 18 2 0 0 0 0 12 28 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 14 29 1 0 0 0 0 15 21 2 0 0 0 0 15 30 1 0 0 0 0 16 19 2 0 0 0 0 16 31 1 0 0 0 0 17 20 2 0 0 0 0 17 32 1 0 0 0 0 18 20 1 0 0 0 0 18 33 1 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 20 34 1 0 0 0 0 21 35 1 0 0 0 0 M END $$$$