@<TRIPOS>MOLECULE FDBD02958 36 36 0 0 0 SMALL USER_CHARGES @<TRIPOS>ATOM 1 C -0.0187 1.5258 0.0104 C.3 1 UNK -0.0629 2 C1 0.0021 -0.0041 0.0020 C.3 1 UNK -0.0277 3 C2 0.7421 -0.5109 1.2415 C.3 1 UNK 0.0910 4 C3 0.7628 -2.0407 1.2331 C.3 1 UNK -0.0367 5 C4 2.1559 0.0107 1.2308 C.2 1 UNK 0.1706 6 O 2.6808 0.3108 0.1856 O.2 1 UNK -0.2939 7 C5 2.9146 0.1578 2.5246 C.3 1 UNK 0.0830 8 Cl 4.5645 0.8001 2.1841 Cl 1 UNK -0.1173 9 N 0.0564 -0.0384 2.4469 N.am 1 UNK -0.2992 10 C6 -1.2274 -0.3827 2.6706 C.2 1 UNK 0.2449 11 O1 -1.8162 -1.0852 1.8723 O.2 1 UNK -0.2702 12 C7 -1.9194 0.0941 3.8870 C.ar 1 UNK 0.0395 13 C8 -1.2477 0.9055 4.8026 C.ar 1 UNK -0.0309 14 C9 -1.8994 1.3477 5.9369 C.ar 1 UNK 0.0460 15 C10 -3.2163 0.9876 6.1668 C.ar 1 UNK -0.0138 16 C11 -3.9216 1.4736 7.4067 C.3 1 UNK -0.0369 17 C12 -3.8880 0.1833 5.2620 C.ar 1 UNK 0.0460 18 C13 -3.2486 -0.2607 4.1214 C.ar 1 UNK -0.0309 19 Cl1 -5.5392 -0.2629 5.5589 Cl 1 UNK -0.0832 20 Cl2 -1.0654 2.3565 7.0772 Cl 1 UNK -0.0832 21 H 1.0039 1.9031 0.0027 H 1 UNK 0.0231 22 H1 -0.5459 1.8868 -0.8726 H 1 UNK 0.0231 23 H2 -0.5289 1.8773 0.9072 H 1 UNK 0.0231 24 H3 -1.0205 -0.3814 0.0098 H 1 UNK 0.0287 25 H4 0.5123 -0.3556 -0.8948 H 1 UNK 0.0287 26 H5 1.2730 -2.3923 0.3363 H 1 UNK 0.0254 27 H6 1.2900 -2.4018 2.1162 H 1 UNK 0.0254 28 H7 -0.2598 -2.4180 1.2409 H 1 UNK 0.0254 29 H8 2.3841 0.8483 3.1804 H 1 UNK 0.0508 30 H9 2.9963 -0.8145 3.0105 H 1 UNK 0.0508 31 H10 0.5262 0.5221 3.0839 H 1 UNK 0.1500 32 H11 -0.2203 1.1867 4.6245 H 1 UNK 0.0640 33 H12 -4.4087 2.4261 7.1979 H 1 UNK 0.0278 34 H13 -4.6702 0.7414 7.7094 H 1 UNK 0.0278 35 H14 -3.1962 1.6048 8.2096 H 1 UNK 0.0278 36 H15 -3.7736 -0.8881 3.4163 H 1 UNK 0.0640 @<TRIPOS>BOND 1 1 2 1 2 1 21 1 3 1 22 1 4 1 23 1 5 2 3 1 6 2 24 1 7 2 25 1 8 3 4 1 9 3 5 1 10 3 9 1 11 4 26 1 12 4 27 1 13 4 28 1 14 5 6 2 15 5 7 1 16 7 8 1 17 7 29 1 18 7 30 1 19 9 10 am 20 9 31 1 21 10 11 2 22 10 12 1 23 12 18 ar 24 12 13 ar 25 13 14 ar 26 13 32 1 27 14 15 ar 28 14 20 1 29 15 16 1 30 15 17 ar 31 16 33 1 32 16 34 1 33 16 35 1 34 17 18 ar 35 17 19 1 36 18 36 1