File: MOL2File_test2.mol2

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file content (55 lines) | stat: -rw-r--r-- 2,077 bytes parent folder | download | duplicates (9)
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@<TRIPOS>MOLECULE
1FK9
21 23 1 0 0 
SMALL
NO_CHARGES


@<TRIPOS>ATOM
      1 CL         -2.5520  -35.3570   21.8750 Cl      1     ****    0.0000 
      2 F1          3.1030  -39.5330   20.6530 F       1     ****    0.0000 
      3 F2          1.2910  -39.2200   21.7330 F       1     ****    0.0000 
      4 F3          1.2330  -39.5340   19.6260 F       1     ****    0.0000 
      5 O1          3.4730  -37.3540   17.0970 O.2     1     ****    0.0000 
      6 O2          2.9980  -37.1980   19.2620 O.3     1     ****    0.0000 
      7 N           1.2850  -37.0810   17.6750 N.am    1     ****    0.0000 
      8 C1          0.3440  -36.6360   18.6620 C.ar    1     ****    0.0000 
      9 C2         -0.9260  -36.1430   18.3080 C.ar    1     ****    0.0000 
     10 C3         -1.8100  -35.7430   19.3240 C.ar    1     ****    0.0000 
     11 C4         -1.4490  -35.8480   20.6560 C.ar    1     ****    0.0000 
     12 C5         -0.2120  -36.3390   21.0180 C.ar    1     ****    0.0000 
     13 C6          0.6660  -36.7760   20.0190 C.ar    1     ****    0.0000 
     14 C7          2.0460  -37.3860   20.3660 C.3     1     ****    0.0000 
     15 C8          2.6380  -36.8100   21.5930 C.1     1     ****    0.0000 
     16 C9          3.0920  -36.3400   22.5620 C.1     1     ****    0.0000 
     17 C10         3.7560  -35.6460   23.9670 C.3     1     ****    0.0000 
     18 C11         4.1860  -34.5430   23.6190 C.3     1     ****    0.0000 
     19 C12         3.0560  -34.6560   24.2110 C.3     1     ****    0.0000 
     20 C13         1.9130  -38.9380   20.5960 C.3     1     ****    0.0000 
     21 C14         2.6380  -37.2190   17.9350 C.2     1     ****    0.0000 
@<TRIPOS>BOND
     1  8 7 1
     2  9 8 ar
     3 10 9 ar
     4 11 1 1
     5 11 10 ar
     6 12 11 ar
     7 13 8 ar
     8 13 12 ar
     9 14 6 1
    10 14 13 1
    11 15 14 1
    12 16 15 3
    13 17 16 1
    14 18 17 1
    15 19 17 1
    16 19 18 1
    17 20 2 1
    18 20 3 1
    19 20 4 1
    20 20 14 1
    21 21 5 2
    22 21 6 1
    23 21 7 1
@<TRIPOS>SUBSTRUCTURE
1     ****    1