@MOLECULE FDBD00285 39 40 0 0 0 SMALL GASTEIGER @ATOM 1 Br 5.8682 0.2521 -0.1514 Br 1 UNK -0.0503 2 N -2.8348 1.9868 -0.2824 N.4 1 UNK 0.2309 3 N1 -0.6193 -1.6812 1.0494 N.ar 1 UNK -0.2593 4 C -0.2988 0.4473 -0.0603 C.3 1 UNK 0.0312 5 C1 -0.8619 1.3790 1.0449 C.3 1 UNK -0.0003 6 C2 -2.3916 1.4742 1.0098 C.3 1 UNK -0.0315 7 C3 1.2261 0.3991 -0.0840 C.ar 1 UNK -0.0382 8 C4 -0.8946 -0.9547 -0.0403 C.ar 1 UNK 0.0488 9 C5 1.8644 0.1728 -1.2839 C.ar 1 UNK -0.0569 10 C6 1.9122 0.5835 1.0966 C.ar 1 UNK -0.0569 11 C7 -1.6478 -1.3538 -1.1139 C.ar 1 UNK -0.0398 12 C8 -2.3141 3.3361 -0.5068 C.3 1 UNK -0.0433 13 C9 -4.2962 1.9861 -0.3626 C.3 1 UNK -0.0433 14 C10 3.2585 0.1288 -1.3041 C.ar 1 UNK -0.0475 15 C11 3.3063 0.5397 1.0762 C.ar 1 UNK -0.0475 16 C12 -2.1771 -2.6386 -1.0647 C.ar 1 UNK -0.0586 17 C13 3.9794 0.3123 -0.1242 C.ar 1 UNK 0.0179 18 C14 -1.1505 -2.9243 1.0616 C.ar 1 UNK 0.0279 19 C15 -1.9285 -3.4453 0.0402 C.ar 1 UNK -0.0436 20 H -2.4701 1.3735 -1.0113 H 1 UNK 0.2028 21 H1 -0.6153 0.9005 -0.9764 H 1 UNK 0.0414 22 H2 -0.4540 2.3587 0.9084 H 1 UNK 0.0326 23 H3 -0.5837 0.9652 1.9916 H 1 UNK 0.0326 24 H4 -2.8100 0.5020 1.1668 H 1 UNK 0.0814 25 H5 -2.7178 2.1409 1.7805 H 1 UNK 0.0814 26 H6 1.3215 0.0384 -2.1512 H 1 UNK 0.0621 27 H7 1.4043 0.7509 1.9792 H 1 UNK 0.0621 28 H8 -1.8139 -0.7308 -1.9197 H 1 UNK 0.0636 29 H9 -2.6878 3.9931 0.2505 H 1 UNK 0.0777 30 H10 -2.6288 3.6845 -1.4683 H 1 UNK 0.0777 31 H11 -1.2450 3.3171 -0.4667 H 1 UNK 0.0777 32 H12 -4.6954 2.6258 0.3966 H 1 UNK 0.0777 33 H13 -4.6609 0.9906 -0.2182 H 1 UNK 0.0777 34 H14 -4.6008 2.3414 -1.3248 H 1 UNK 0.0777 35 H15 3.7566 -0.0395 -2.1921 H 1 UNK 0.0629 36 H16 3.8397 0.6755 1.9492 H 1 UNK 0.0629 37 H17 -2.7523 -2.9921 -1.8452 H 1 UNK 0.0619 38 H18 -0.9651 -3.5220 1.8822 H 1 UNK 0.0829 39 H19 -2.3114 -4.4019 0.0977 H 1 UNK 0.0633 @BOND 1 1 17 1 2 2 6 1 3 2 12 1 4 2 13 1 5 3 8 ar 6 3 18 ar 7 4 5 1 8 4 7 1 9 4 8 1 10 5 6 1 11 7 9 ar 12 7 10 ar 13 8 11 ar 14 9 14 ar 15 10 15 ar 16 11 16 ar 17 14 17 ar 18 15 17 ar 19 16 19 ar 20 18 19 ar 21 2 20 1 22 4 21 1 23 5 22 1 24 5 23 1 25 6 24 1 26 6 25 1 27 9 26 1 28 10 27 1 29 11 28 1 30 12 29 1 31 12 30 1 32 12 31 1 33 13 32 1 34 13 33 1 35 13 34 1 36 14 35 1 37 15 36 1 38 16 37 1 39 18 38 1 40 19 39 1