@MOLECULE FDBD00697 39 40 0 0 0 SMALL GASTEIGER @ATOM 1 Br 5.8689 0.2531 -0.1535 Br 1 UNK -0.0503 2 N -2.8333 1.9884 -0.2826 N.4 1 UNK 0.2309 3 N1 -0.6213 -1.6816 1.0495 N.ar 1 UNK -0.2593 4 C -0.2986 0.4469 -0.0594 C.3 1 UNK 0.0312 5 C1 -0.8617 1.3788 1.0456 C.3 1 UNK -0.0003 6 C2 -2.3912 1.4751 1.0097 C.3 1 UNK -0.0315 7 C3 1.2263 0.3976 -0.0823 C.ar 1 UNK -0.0382 8 C4 -0.8955 -0.9546 -0.0402 C.ar 1 UNK 0.0488 9 C5 1.8644 0.1724 -1.2829 C.ar 1 UNK -0.0569 10 C6 1.9138 0.5810 1.0977 C.ar 1 UNK -0.0569 11 C7 -1.6483 -1.3529 -1.1143 C.ar 1 UNK -0.0398 12 C8 -2.3115 3.3373 -0.5064 C.3 1 UNK -0.0433 13 C9 -4.2947 1.9887 -0.3636 C.3 1 UNK -0.0433 14 C10 3.2584 0.1284 -1.3042 C.ar 1 UNK -0.0475 15 C11 3.3078 0.5369 1.0764 C.ar 1 UNK -0.0475 16 C12 -2.1786 -2.6373 -1.0657 C.ar 1 UNK -0.0586 17 C13 3.9800 0.3105 -0.1245 C.ar 1 UNK 0.0179 18 C14 -1.1535 -2.9243 1.0612 C.ar 1 UNK 0.0279 19 C15 -1.9313 -3.4445 0.0392 C.ar 1 UNK -0.0436 20 H -2.4686 1.3750 -1.0114 H 1 UNK 0.2028 21 H1 -0.6142 0.9006 -0.9756 H 1 UNK 0.0414 22 H2 -0.4530 2.3583 0.9095 H 1 UNK 0.0326 23 H3 -0.5843 0.9646 1.9924 H 1 UNK 0.0326 24 H4 -2.8104 0.5031 1.1661 H 1 UNK 0.0814 25 H5 -2.7174 2.1418 1.7804 H 1 UNK 0.0814 26 H6 1.3210 0.0388 -2.1500 H 1 UNK 0.0621 27 H7 1.4067 0.7479 1.9809 H 1 UNK 0.0621 28 H8 -1.8135 -0.7296 -1.9201 H 1 UNK 0.0636 29 H9 -2.6851 3.9944 0.2509 H 1 UNK 0.0777 30 H10 -2.6254 3.6862 -1.4680 H 1 UNK 0.0777 31 H11 -1.2425 3.3175 -0.4657 H 1 UNK 0.0777 32 H12 -4.6939 2.6284 0.3955 H 1 UNK 0.0777 33 H13 -4.6601 0.9934 -0.2197 H 1 UNK 0.0777 34 H14 -4.5985 2.3445 -1.3259 H 1 UNK 0.0777 35 H15 3.7559 -0.0389 -2.1928 H 1 UNK 0.0629 36 H16 3.8418 0.6718 1.9492 H 1 UNK 0.0629 37 H17 -2.7536 -2.9902 -1.8467 H 1 UNK 0.0619 38 H18 -0.9691 -3.5223 1.8818 H 1 UNK 0.0829 39 H19 -2.3149 -4.4008 0.0963 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