BAL2D3 -OEChem-04022103363D 49 51 0 0 0 0 0 0 0999 V2000 3.2419 0.4494 -2.9087 S 0 0 0 0 0 0 0 0 0 0 0 0 3.9303 -1.9123 1.8859 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9599 2.8584 1.3891 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0116 0.3417 2.9156 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0502 0.6244 -1.4283 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9927 1.7032 -0.6136 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5859 -0.3036 1.8124 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6368 -1.8632 -1.3874 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1164 -1.5224 -1.1655 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0832 -1.3506 -2.7173 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6363 -2.0486 0.1725 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0388 0.7149 -0.1762 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7370 0.0437 0.0516 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3930 1.0715 -0.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2972 0.9526 -1.5334 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9452 -1.4402 1.3804 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0048 1.7195 -0.1162 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4221 -0.6252 -0.1223 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1365 -0.3044 0.1675 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3539 1.3839 -0.0023 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7711 -0.9608 -0.0083 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9651 1.8191 0.6624 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3963 2.1857 0.5326 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5114 -1.4766 0.8238 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1108 0.5321 -0.3768 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8607 -1.8126 0.9358 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4601 0.1963 -0.2649 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8349 -0.9760 0.3914 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0254 -1.4803 -0.5634 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5194 -2.9542 -1.3672 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7145 -1.9561 -1.9757 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2765 -0.4397 -1.1883 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0302 -1.6338 -2.8184 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6229 -1.8207 -3.5463 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7151 -1.8625 0.2402 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5073 -3.1362 0.2279 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7262 2.7699 -0.1567 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6817 -1.4201 -0.1726 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0674 2.2002 0.0701 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0240 -2.0174 -0.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4360 2.1666 1.5428 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9728 1.9074 -0.7828 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7906 -2.1429 1.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8656 1.4388 -0.9231 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4793 0.0477 1.4873 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1536 -2.7219 1.4526 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2190 0.8439 -0.6944 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8855 -1.2374 0.4785 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4741 1.0127 2.4615 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 15 1 0 0 0 0 2 16 2 0 0 0 0 3 23 2 0 0 0 0 4 7 1 0 0 0 0 4 49 1 0 0 0 0 5 14 1 0 0 0 0 5 15 2 0 0 0 0 6 15 1 0 0 0 0 6 23 1 0 0 0 0 6 42 1 0 0 0 0 7 16 1 0 0 0 0 7 45 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 11 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 16 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 14 1 0 0 0 0 12 17 2 0 0 0 0 12 18 1 0 0 0 0 13 19 1 0 0 0 0 13 20 2 0 0 0 0 13 21 1 0 0 0 0 14 22 2 0 0 0 0 17 20 1 0 0 0 0 17 37 1 0 0 0 0 18 21 2 0 0 0 0 18 38 1 0 0 0 0 19 24 2 0 0 0 0 19 25 1 0 0 0 0 20 39 1 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 24 26 1 0 0 0 0 24 43 1 0 0 0 0 25 27 2 0 0 0 0 25 44 1 0 0 0 0 26 28 2 0 0 0 0 26 46 1 0 0 0 0 27 28 1 0 0 0 0 27 47 1 0 0 0 0 28 48 1 0 0 0 0 M END $$$$