B2XMP3 -OEChem-04022118053D 39 42 0 0 0 0 0 0 0999 V2000 1.1019 -0.5124 -1.9326 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7008 0.9255 0.4520 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4094 2.1821 2.0136 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1106 0.7415 1.4997 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9032 -0.7217 1.0352 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1525 0.8922 0.0307 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1580 1.4998 -0.2596 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0050 -0.6351 -0.4705 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6963 -0.0409 -0.7788 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6936 -0.2306 0.6711 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8896 1.3328 1.2634 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3231 0.9176 0.2398 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2333 2.6576 -1.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5636 1.4931 -0.0351 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6151 -1.6054 -1.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4739 3.2329 -1.3092 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6390 2.6509 -0.8096 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8563 -2.1269 -0.9227 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4535 -1.6559 0.2311 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8322 -0.4488 0.3424 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5093 -1.0868 -0.8552 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2888 -1.1947 1.4291 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6431 -2.4709 -0.9664 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4226 -2.5789 1.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0994 -3.2169 0.1203 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6367 1.0155 2.3241 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2481 0.0283 0.8622 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6659 3.1231 -1.4301 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1377 -1.9700 -2.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5327 4.1342 -1.9123 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6024 3.1036 -1.0274 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3387 -2.8790 -1.5364 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4211 -2.0289 0.5497 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2453 -0.0731 -2.0584 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1722 -0.5280 -1.7242 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5416 -0.7028 2.3643 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3962 -2.9673 -1.9003 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7783 -3.1597 2.1639 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2044 -4.2944 0.0336 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 34 1 0 0 0 0 2 14 1 0 0 0 0 2 20 1 0 0 0 0 3 11 2 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 4 26 1 0 0 0 0 5 10 1 0 0 0 0 5 19 2 0 0 0 0 6 7 1 0 0 0 0 6 9 2 0 0 0 0 6 11 1 0 0 0 0 7 12 2 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 8 15 1 0 0 0 0 12 14 1 0 0 0 0 12 27 1 0 0 0 0 13 16 2 0 0 0 0 13 28 1 0 0 0 0 14 17 2 0 0 0 0 15 18 2 0 0 0 0 15 29 1 0 0 0 0 16 17 1 0 0 0 0 16 30 1 0 0 0 0 17 31 1 0 0 0 0 18 19 1 0 0 0 0 18 32 1 0 0 0 0 19 33 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 21 35 1 0 0 0 0 22 24 2 0 0 0 0 22 36 1 0 0 0 0 23 25 2 0 0 0 0 23 37 1 0 0 0 0 24 25 1 0 0 0 0 24 38 1 0 0 0 0 25 39 1 0 0 0 0 M END $$$$