BA4IG6 -OEChem-04042105313D 44 47 0 1 0 0 0 0 0999 V2000 -3.0054 -0.0870 -1.6118 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.4130 -0.7012 2.6177 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7818 0.9389 -2.2945 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6791 -1.3261 -2.3042 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5072 -2.5896 -0.6370 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3445 -0.3042 0.9131 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7785 -0.4716 -0.1333 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9912 2.4284 0.3356 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9807 -0.3011 -0.0955 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7159 -1.9835 0.2064 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8045 0.4135 -0.3484 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1210 0.3433 0.3589 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0338 -1.4103 0.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3057 0.6920 0.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5238 0.6334 -1.0363 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2795 -1.7392 -0.2353 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2218 -0.5960 0.5468 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4008 -0.1584 -0.8121 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8711 1.8087 -0.1084 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9528 -1.8422 1.8901 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1709 0.1719 1.7774 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1029 1.6949 0.5641 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4578 1.9992 -0.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2694 2.5706 -0.3423 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5358 -2.6242 -0.8948 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2968 2.4397 1.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7037 -2.5875 1.1196 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1638 -0.9051 1.1871 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7083 -2.2925 0.1971 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9109 1.3380 -0.0045 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4726 1.2682 1.0531 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4593 -1.2267 -0.9952 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4094 -2.4867 2.5881 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8157 -2.4063 1.5163 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5217 1.0064 2.3926 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0528 -0.3611 1.4022 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3168 2.6440 -0.9633 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2460 3.6448 -0.1655 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5360 -2.0098 -1.8024 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1332 -3.6072 -1.1605 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5772 -2.7532 -0.5821 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1264 2.3443 0.3436 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0746 3.5072 1.1563 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6088 2.0701 2.0329 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 7 1 0 0 0 0 1 15 1 0 0 0 0 2 20 1 0 0 0 0 2 21 1 0 0 0 0 5 16 2 0 0 0 0 6 17 2 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 8 19 2 0 0 0 0 8 22 1 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 9 16 1 0 0 0 0 10 16 1 0 0 0 0 10 17 1 0 0 0 0 10 25 1 0 0 0 0 10 27 1 0 0 0 0 11 18 1 0 0 0 0 11 19 1 0 0 0 0 12 17 1 0 0 0 0 12 22 2 0 0 0 0 13 20 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 14 21 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 15 18 2 0 0 0 0 15 23 1 0 0 0 0 18 32 1 0 0 0 0 19 24 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 22 26 1 0 0 0 0 23 24 2 0 0 0 0 23 37 1 0 0 0 0 24 38 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 M END $$$$