BAGU21 -OEChem-04022105043D 40 43 0 1 0 0 0 0 0999 V2000 -2.3586 -2.7067 -0.0796 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.2990 -1.2184 -1.3023 F 0 0 0 0 0 0 0 0 0 0 0 0 1.3274 -0.6241 2.6167 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6173 -0.7349 -0.2415 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6193 -2.9097 -0.4647 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3678 1.4121 2.0416 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7950 0.6898 0.0161 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6546 1.2535 -0.8307 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5780 -1.0132 -1.0902 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9499 0.2091 -1.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6754 1.0394 1.4908 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2840 2.5721 -1.0204 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2276 -1.8819 0.1048 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5831 -2.3723 -1.2169 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1236 0.4524 -2.3091 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4052 0.4941 2.1152 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1960 2.8321 -1.8598 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4995 1.7850 -2.4955 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9534 1.1451 2.5611 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8455 0.5150 1.5308 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6845 -0.8299 1.1976 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8355 1.2743 0.9071 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5133 -1.4154 0.2407 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6644 0.6888 -0.0498 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5033 -0.6561 -0.3831 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7626 0.9808 -0.4069 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7302 2.1244 1.6407 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5162 0.6077 2.0485 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8155 3.3843 -0.5374 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0873 -1.9356 0.7575 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9243 -3.0030 -1.7953 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6616 -0.3497 -2.8014 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1199 3.8589 -2.0256 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3420 2.0198 -3.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5276 2.3198 1.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8791 0.4914 3.4382 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3648 2.1001 2.9066 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9289 -1.4422 1.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9703 2.3237 1.1548 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4343 1.2799 -0.5366 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 25 1 0 0 0 0 3 16 2 0 0 0 0 4 7 1 0 0 0 0 4 9 1 0 0 0 0 4 13 1 0 0 0 0 5 13 2 0 0 0 0 5 14 1 0 0 0 0 6 16 1 0 0 0 0 6 19 1 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 26 1 0 0 0 0 8 10 1 0 0 0 0 8 12 2 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 15 2 0 0 0 0 11 16 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 12 17 1 0 0 0 0 12 29 1 0 0 0 0 13 30 1 0 0 0 0 14 31 1 0 0 0 0 15 18 1 0 0 0 0 15 32 1 0 0 0 0 17 18 2 0 0 0 0 17 33 1 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 19 37 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 38 1 0 0 0 0 22 24 2 0 0 0 0 22 39 1 0 0 0 0 23 25 2 0 0 0 0 24 25 1 0 0 0 0 24 40 1 0 0 0 0 M END $$$$