@MOLECULE FDBD01225 29 31 0 0 0 SMALL GASTEIGER @ATOM 1 Br -0.7568 -4.4569 0.8210 Br 1 UNK -0.0503 2 O -2.4400 3.4938 -0.5796 O.2 1 UNK -0.2734 3 N -2.4198 1.2084 -0.7199 N.am 1 UNK -0.2834 4 N1 0.0858 1.9496 0.7942 N.2 1 UNK -0.2718 5 N2 1.9124 -0.5016 -0.8898 N.ar 1 UNK -0.2534 6 C -0.7064 -0.3230 0.2402 C.ar 1 UNK 0.0243 7 C1 -1.9442 -0.0739 -0.3754 C.ar 1 UNK 0.0428 8 C2 0.3276 0.7435 0.4073 C.2 1 UNK 0.0932 9 C3 -0.3698 -1.6349 0.6128 C.ar 1 UNK -0.0367 10 C4 -1.2704 2.3181 1.1373 C.3 1 UNK 0.1168 11 C5 1.7456 0.4233 0.0743 C.ar 1 UNK 0.0893 12 C6 -2.7746 -1.1564 -0.7028 C.ar 1 UNK -0.0388 13 C7 -2.0674 2.4062 -0.1369 C.2 1 UNK 0.2386 14 C8 -1.2283 -2.6952 0.3248 C.ar 1 UNK 0.0186 15 C9 -2.4219 -2.4584 -0.3484 C.ar 1 UNK -0.0460 16 C10 2.7682 1.0623 0.7433 C.ar 1 UNK -0.0342 17 C11 4.0712 0.7246 0.3946 C.ar 1 UNK -0.0583 18 C12 3.1927 -0.8040 -1.2017 C.ar 1 UNK 0.0283 19 C13 4.2961 -0.2254 -0.5955 C.ar 1 UNK -0.0436 20 H -3.0731 1.2524 -1.4551 H 1 UNK 0.1549 21 H1 0.5199 -1.8154 1.1036 H 1 UNK 0.0636 22 H2 -1.2742 3.2659 1.6338 H 1 UNK 0.0605 23 H3 -1.6984 1.5886 1.7927 H 1 UNK 0.0605 24 H4 -3.6564 -0.9873 -1.2116 H 1 UNK 0.0637 25 H5 -3.0461 -3.2453 -0.5855 H 1 UNK 0.0629 26 H6 2.5739 1.7641 1.4746 H 1 UNK 0.0639 27 H7 4.8682 1.1773 0.8688 H 1 UNK 0.0619 28 H8 3.3583 -1.5093 -1.9366 H 1 UNK 0.0830 29 H9 5.2547 -0.4912 -0.8702 H 1 UNK 0.0633 @BOND 1 1 14 1 2 2 13 2 3 3 7 1 4 3 13 am 5 4 8 2 6 4 10 1 7 5 11 ar 8 5 18 ar 9 6 7 ar 10 6 8 1 11 6 9 ar 12 7 12 ar 13 8 11 1 14 9 14 ar 15 10 13 1 16 11 16 ar 17 12 15 ar 18 14 15 ar 19 16 17 ar 20 17 19 ar 21 18 19 ar 22 3 20 1 23 9 21 1 24 10 22 1 25 10 23 1 26 12 24 1 27 15 25 1 28 16 26 1 29 17 27 1 30 18 28 1 31 19 29 1