BJ98XO -OEChem-04042103083D 55 57 0 1 0 0 0 0 0999 V2000 5.7832 -1.1937 -0.4381 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4065 1.0004 -0.2906 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7514 -0.3795 1.7514 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3185 1.3740 0.5400 N 0 0 2 0 0 0 0 0 0 0 0 0 4.2308 0.4460 -0.8901 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3630 1.1362 0.0389 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4559 1.0948 -0.3599 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9640 -0.3682 -0.2855 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2334 -0.7993 1.1637 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5988 2.1052 -0.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2079 -0.5666 -1.1664 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0136 -0.5300 2.0372 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5530 0.9229 1.9191 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7877 1.8309 -1.0268 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9383 0.8445 0.0092 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1166 1.6468 0.5411 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5462 0.1527 -0.5215 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0891 0.1496 0.6958 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1100 -1.5792 -0.0607 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3443 -0.2888 0.0331 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1913 -3.0903 -0.0189 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8368 -1.5752 0.2525 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0313 0.5869 -0.8075 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0162 -1.9861 -0.3687 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2107 0.1763 -1.4287 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7031 -1.1102 -1.2094 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1361 1.2815 -1.3954 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1786 -1.0274 -0.6807 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0982 -0.2658 1.5757 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4787 -1.8674 1.1984 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9452 2.0575 0.9299 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2391 3.1275 -0.2784 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6010 -1.5800 -1.0437 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9346 -0.4573 -2.2232 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2029 -1.2141 1.7612 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2614 -0.7491 3.0824 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3315 1.0695 2.5478 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3143 1.5694 2.3727 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6026 2.5240 -0.7952 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5103 1.9880 -2.0757 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9628 0.9403 -1.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0643 -0.2255 0.2115 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1645 1.6381 1.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0456 2.6921 0.2194 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6635 1.4817 -0.8661 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3414 -1.1687 0.9284 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8253 -1.1902 -0.7938 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4677 -3.4952 0.6963 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9439 -3.5165 -0.9968 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1938 -3.4204 0.2672 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3139 -2.2736 0.9006 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7003 1.6065 -0.9806 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3995 -2.9879 -0.1985 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7499 0.8602 -2.0777 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6222 -1.4295 -1.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 19 1 0 0 0 0 2 17 2 0 0 0 0 3 18 2 0 0 0 0 4 7 1 0 0 0 0 4 13 1 0 0 0 0 4 15 1 0 0 0 0 5 11 1 0 0 0 0 5 14 1 0 0 0 0 5 17 1 0 0 0 0 6 16 1 0 0 0 0 6 18 1 0 0 0 0 6 45 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 28 1 0 0 0 0 9 12 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 14 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 22 24 1 0 0 0 0 22 51 1 0 0 0 0 23 25 2 0 0 0 0 23 52 1 0 0 0 0 24 26 2 0 0 0 0 24 53 1 0 0 0 0 25 26 1 0 0 0 0 25 54 1 0 0 0 0 26 55 1 0 0 0 0 M END $$$$