REMARK  Name = BDB006722
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.258  -1.747  -0.175  0.00  0.00    -0.259 N 
ATOM      2  C   LIG    1        2.039  -1.219   0.031  0.00  0.00    +0.129 A 
ATOM      3  C   LIG    1        0.675  -1.589  -0.064  0.00  0.00    +0.270 C 
ATOM      4  N   LIG    1       -0.041  -0.436   0.384  0.00  0.00    -0.253 N 
ATOM      5  C   LIG    1        0.899   0.690   0.736  0.00  0.00    +0.149 C 
ATOM      6  O   LIG    1        0.255  -2.671  -0.440  0.00  0.00    -0.268 OA
ATOM      7  C   LIG    1        2.206   0.053   0.482  0.00  0.00    +0.031 A 
ATOM      8  C   LIG    1        3.589   0.247   0.550  0.00  0.00    +0.066 A 
ATOM      9  C   LIG    1        4.340   1.447   0.986  0.00  0.00    +0.068 C 
ATOM     10  N   LIG    1        4.241  -0.859   0.136  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -1.425  -0.352   0.531  0.00  0.00    +0.055 A 
ATOM     12  C   LIG    1       -2.273  -1.326   0.139  0.00  0.00    +0.118 A 
ATOM     13  N   LIG    1       -3.645  -1.171   0.303  0.00  0.00    -0.285 N 
ATOM     14  C   LIG    1       -4.229  -0.049   0.858  0.00  0.00    +0.164 A 
ATOM     15  N   LIG    1       -5.536  -0.192   0.870  0.00  0.00    -0.129 NA
ATOM     16  N   LIG    1       -5.830  -1.418   0.321  0.00  0.00    -0.134 NA
ATOM     17  C   LIG    1       -3.374   1.008   1.302  0.00  0.00    -0.004 A 
ATOM     18  C   LIG    1       -3.916   2.263   1.937  0.00  0.00    +0.047 C 
ATOM     19  C   LIG    1       -4.698  -2.002  -0.016  0.00  0.00    +0.135 A 
ATOM     20  C   LIG    1       -4.547  -3.335  -0.639  0.00  0.00    +0.088 C 
ATOM     21  C   LIG    1       -2.038   0.842   1.140  0.00  0.00    +0.032 A 
ENDBRANCH   4  11
BRANCH   5  22
ATOM     22  C   LIG    1        0.839   1.884  -0.189  0.00  0.00    +0.013 A 
ATOM     23  C   LIG    1        1.071   3.159   0.342  0.00  0.00    +0.130 A 
ATOM     24  F   LIG    1        1.329   3.291   1.651  0.00  0.00    -0.205 F 
ATOM     25  C   LIG    1        1.039   4.303  -0.448  0.00  0.00    +0.058 A 
ATOM     26  C   LIG    1        0.771   4.180  -1.806  0.00  0.00    +0.044 A 
ATOM     27 CL   LIG    1        0.728   5.583  -2.799  0.00  0.00    -0.083 Cl
ATOM     28  C   LIG    1        0.538   2.926  -2.369  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1        0.573   1.782  -1.566  0.00  0.00    +0.010 A 
ENDBRANCH   5  22
BRANCH   1  31
ATOM     30  C   LIG    1        3.724  -4.072   0.479  0.00  0.00    +0.029 C 
ATOM     31  C   LIG    1        3.589  -3.072  -0.654  0.00  0.00    +0.141 C 
ENDBRANCH   1  31
TORSDOF 3