REMARK  Name = BDB012683
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.996  -0.135   0.490  0.00  0.00    +0.153 A 
ATOM      2  C   LIG    1       -0.424   0.387   1.692  0.00  0.00    +0.044 A 
ATOM      3  C   LIG    1        0.949   0.180   1.569  0.00  0.00    +0.071 A 
ATOM      4  C   LIG    1        1.869   0.568   2.556  0.00  0.00    +0.031 A 
ATOM      5  C   LIG    1        1.358   1.183   3.702  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1       -0.008   1.394   3.842  0.00  0.00    +0.124 A 
ATOM      7  F   LIG    1       -0.467   1.986   4.954  0.00  0.00    -0.205 F 
ATOM      8  N   LIG    1        1.101  -0.431   0.350  0.00  0.00    -0.262 N 
ATOM      9  C   LIG    1       -0.917   1.008   2.858  0.00  0.00    +0.051 A 
ATOM     10  N   LIG    1       -0.051  -0.626  -0.313  0.00  0.00    -0.155 NA
ENDROOT
BRANCH   1  11
ATOM     11  N   LIG    1       -2.332  -0.102   0.262  0.00  0.00    -0.296 N 
ATOM     12  H   LIG    1       -2.921   0.312   0.987  0.00  0.00    +0.154 HD
BRANCH  11  14
ATOM     13  C   LIG    1       -4.522  -0.396  -0.836  0.00  0.00    +0.083 A 
ATOM     14  C   LIG    1       -3.119  -0.542  -0.826  0.00  0.00    +0.065 A 
ATOM     15  C   LIG    1       -2.579  -1.149  -1.962  0.00  0.00    +0.134 A 
ATOM     16  N   LIG    1       -3.290  -1.591  -3.035  0.00  0.00    -0.261 NA
ATOM     17  C   LIG    1       -4.622  -1.428  -2.994  0.00  0.00    +0.111 A 
ATOM     18  C   LIG    1       -5.277  -0.844  -1.931  0.00  0.00    +0.036 A 
BRANCH  13  20
ATOM     19  O   LIG    1       -6.523   0.356   0.275  0.00  0.00    -0.245 OA
ATOM     20  C   LIG    1       -5.312   0.221   0.264  0.00  0.00    +0.339 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -4.578   0.648   1.311  0.00  0.00    -0.477 OA
ATOM     22  H   LIG    1       -5.263   1.014   1.915  0.00  0.00    +0.295 HD
ENDBRANCH  20  21
ENDBRANCH  13  20
ENDBRANCH  11  14
ENDBRANCH   1  11
BRANCH   8  23
ATOM     23  C   LIG    1        2.343  -0.864  -0.261  0.00  0.00    +0.144 C 
BRANCH  23  24
ATOM     24  C   LIG    1        2.973   0.235  -1.111  0.00  0.00    +0.027 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.269  -0.218  -1.718  0.00  0.00    -0.009 C 
ATOM     26  C   LIG    1        5.554  -0.121  -0.939  0.00  0.00    +0.004 C 
ATOM     27  C   LIG    1        5.312   0.796  -2.107  0.00  0.00    +0.004 C 
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   8  23
TORSDOF 7