@MOLECULE FDBD00288 46 47 0 0 0 SMALL GASTEIGER @ATOM 1 Br 4.1332 3.1290 -0.1507 Br 1 UNK -0.0465 2 O 0.1470 -1.1393 -1.4015 O.2 1 UNK -0.2699 3 O1 1.3225 1.8985 -0.6221 O.3 1 UNK -0.4931 4 O2 2.3616 -2.6006 0.6318 O.3 1 UNK -0.4942 5 N -4.1234 -0.1277 0.2147 N.4 1 UNK 0.2383 6 N1 -0.4507 -0.6463 0.7856 N.am 1 UNK -0.3058 7 C -2.6848 0.1704 0.2461 C.3 1 UNK -0.0048 8 C1 -2.6011 1.3235 1.2487 C.3 1 UNK -0.0034 9 C2 -3.9777 1.9788 1.2248 C.3 1 UNK -0.0074 10 C3 -4.7799 1.1820 0.2097 C.3 1 UNK -0.0314 11 C4 -1.8306 -1.0156 0.6761 C.3 1 UNK 0.0548 12 C5 -4.5220 -0.9290 -0.9361 C.3 1 UNK -0.0345 13 C6 -6.0114 -1.2052 -0.9311 C.3 1 UNK -0.0245 14 C7 0.4427 -0.7390 -0.2787 C.2 1 UNK 0.2514 15 C8 1.8461 -0.3421 0.0042 C.ar 1 UNK 0.1208 16 C9 2.2253 0.9732 -0.1829 C.ar 1 UNK 0.1496 17 C10 2.7351 -1.3027 0.4473 C.ar 1 UNK 0.1358 18 C11 3.5438 1.3424 0.0836 C.ar 1 UNK 0.0604 19 C12 4.0536 -0.9338 0.7136 C.ar 1 UNK -0.0179 20 C13 4.4578 0.3888 0.5318 C.ar 1 UNK -0.0407 21 C14 1.2123 2.0735 -2.0319 C.3 1 UNK 0.0789 22 C15 2.5006 -3.4788 -0.4829 C.3 1 UNK 0.0788 23 H -4.3913 -0.6971 1.0175 H 1 UNK 0.2037 24 H1 -0.1197 -0.3126 1.6506 H 1 UNK 0.1492 25 H2 -2.3002 0.4114 -0.7229 H 1 UNK 0.0867 26 H3 -1.8478 2.0234 0.9528 H 1 UNK 0.0322 27 H4 -2.3390 0.9819 2.2283 H 1 UNK 0.0322 28 H5 -3.9010 3.0023 0.9225 H 1 UNK 0.0319 29 H6 -4.4389 1.9763 2.1903 H 1 UNK 0.0319 30 H7 -5.8035 1.0989 0.5101 H 1 UNK 0.0814 31 H8 -4.7996 1.6369 -0.7586 H 1 UNK 0.0814 32 H9 -2.1744 -1.3673 1.6264 H 1 UNK 0.0518 33 H10 -1.9187 -1.7832 -0.0641 H 1 UNK 0.0518 34 H11 -3.9956 -1.8602 -0.9105 H 1 UNK 0.0812 35 H12 -4.2850 -0.3818 -1.8245 H 1 UNK 0.0812 36 H13 -6.2696 -1.7528 -0.0489 H 1 UNK 0.0281 37 H14 -6.2706 -1.7794 -1.7960 H 1 UNK 0.0281 38 H15 -6.5461 -0.2785 -0.9450 H 1 UNK 0.0281 39 H16 4.7300 -1.6392 1.0451 H 1 UNK 0.0655 40 H17 5.4333 0.6619 0.7289 H 1 UNK 0.0631 41 H18 0.4762 2.8211 -2.2420 H 1 UNK 0.0660 42 H19 0.9207 1.1488 -2.4844 H 1 UNK 0.0660 43 H20 2.1572 2.3820 -2.4280 H 1 UNK 0.0660 44 H21 2.1751 -4.4599 -0.2067 H 1 UNK 0.0660 45 H22 3.5271 -3.5148 -0.7828 H 1 UNK 0.0660 46 H23 1.9040 -3.1206 -1.2957 H 1 UNK 0.0660 @BOND 1 1 18 1 2 2 14 2 3 3 16 1 4 3 21 1 5 4 17 1 6 4 22 1 7 5 7 1 8 5 10 1 9 5 12 1 10 6 11 1 11 6 14 am 12 7 8 1 13 7 11 1 14 8 9 1 15 9 10 1 16 12 13 1 17 14 15 1 18 15 16 ar 19 15 17 ar 20 16 18 ar 21 17 19 ar 22 18 20 ar 23 19 20 ar 24 5 23 1 25 6 24 1 26 7 25 1 27 8 26 1 28 8 27 1 29 9 28 1 30 9 29 1 31 10 30 1 32 10 31 1 33 11 32 1 34 11 33 1 35 12 34 1 36 12 35 1 37 13 36 1 38 13 37 1 39 13 38 1 40 19 39 1 41 20 40 1 42 21 41 1 43 21 42 1 44 21 43 1 45 22 44 1 46 22 45 1 47 22 46 1