B6J8GD -OEChem-04042103223D 41 44 0 0 0 0 0 0 0999 V2000 1.3694 -1.7572 0.6395 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7915 -0.5044 0.1401 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9632 -2.6390 0.7872 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2400 -2.1517 0.5790 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9740 2.0136 -0.8320 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.5671 -1.9367 -1.4463 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3774 0.4492 0.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6090 0.1049 0.1603 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8130 0.6285 0.2004 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5990 0.9766 1.2174 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7715 -0.2502 -0.8569 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2148 0.8043 1.2042 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3873 -0.4222 -0.8702 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8707 -0.0790 0.1463 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6421 -0.3310 -0.3807 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3679 1.7617 0.7952 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0261 -0.1573 -0.3672 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7520 1.9353 0.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5810 0.9760 0.2276 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1504 -1.6437 0.5194 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0688 0.0860 -0.1474 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0914 -0.9031 0.2026 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4228 -0.2285 -0.1148 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6663 1.3632 -0.5221 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3272 0.7618 -0.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6492 2.2822 -0.8521 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8765 -1.1392 -0.9627 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0289 1.5012 2.0663 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3323 -0.6505 -1.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6216 1.2132 2.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9266 -0.9608 -1.6943 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2532 0.1298 -0.8602 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3515 0.6425 0.8174 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2418 -1.2400 -0.8243 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7616 2.5502 1.2326 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1842 2.8209 1.2658 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6579 1.1265 0.2447 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7817 -1.2120 0.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6255 1.6666 -0.5664 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3947 0.5674 -0.4538 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3879 3.2921 -1.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 20 1 0 0 0 0 2 20 1 0 0 0 0 2 22 1 0 0 0 0 3 4 1 0 0 0 0 3 20 2 0 0 0 0 4 22 2 0 0 0 0 5 25 2 0 0 0 0 5 26 1 0 0 0 0 6 27 3 0 0 0 0 7 9 1 0 0 0 0 7 10 2 0 0 0 0 7 11 1 0 0 0 0 8 12 2 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 9 15 1 0 0 0 0 9 16 2 0 0 0 0 10 12 1 0 0 0 0 10 28 1 0 0 0 0 11 13 2 0 0 0 0 11 29 1 0 0 0 0 12 30 1 0 0 0 0 13 31 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 17 2 0 0 0 0 15 34 1 0 0 0 0 16 18 1 0 0 0 0 16 35 1 0 0 0 0 17 19 1 0 0 0 0 17 27 1 0 0 0 0 18 19 2 0 0 0 0 18 36 1 0 0 0 0 19 37 1 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 23 25 1 0 0 0 0 23 38 1 0 0 0 0 24 26 2 0 0 0 0 24 39 1 0 0 0 0 25 40 1 0 0 0 0 26 41 1 0 0 0 0 M END $$$$