REMARK  Name = BDB021344
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.501   2.123   1.526  0.00  0.00    +0.159 A 
ATOM      2  N   LIG    1        2.911   1.010   0.833  0.00  0.00    -0.217 NA
ATOM      3  C   LIG    1        1.984   0.815  -0.084  0.00  0.00    +0.151 A 
ATOM      4  N   LIG    1        0.968   1.742   0.017  0.00  0.00    -0.270 N 
ATOM      5  C   LIG    1       -0.150   1.739  -0.838  0.00  0.00    +0.202 A 
ATOM      6  N   LIG    1       -0.218   0.880  -1.819  0.00  0.00    -0.223 NA
ATOM      7  C   LIG    1        0.785  -0.061  -1.921  0.00  0.00    +0.126 A 
ATOM      8  C   LIG    1        1.860  -0.161  -1.111  0.00  0.00    +0.044 A 
ATOM      9  C   LIG    1        1.310   2.606   1.031  0.00  0.00    +0.134 A 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1        2.800  -1.287  -1.298  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1        2.881  -2.344  -0.369  0.00  0.00    +0.060 A 
ATOM     12  C   LIG    1        3.795  -3.387  -0.577  0.00  0.00    +0.019 A 
ATOM     13  C   LIG    1        4.626  -3.384  -1.698  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        4.550  -2.341  -2.618  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        3.644  -1.297  -2.421  0.00  0.00    +0.010 A 
BRANCH  11  16
ATOM     16  C   LIG    1        2.024  -2.396   0.784  0.00  0.00    +0.100 C 
ATOM     17  N   LIG    1        1.309  -2.442   1.697  0.00  0.00    -0.191 NA
ENDBRANCH  11  16
ENDBRANCH   8  10
BRANCH   1  19
ATOM     18  N   LIG    1        3.871   3.137   3.479  0.00  0.00    -0.189 NA
ATOM     19  C   LIG    1        3.272   2.667   2.602  0.00  0.00    +0.121 C 
ENDBRANCH   1  19
BRANCH   5  20
ATOM     20  N   LIG    1       -1.168   2.650  -0.661  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -1.766   2.619  -1.487  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -2.023   2.585   0.524  0.00  0.00    +0.143 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.063   1.509   0.396  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1       -2.885   0.214   0.877  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -1.715  -0.425   1.530  0.00  0.00    +0.080 C 
ATOM     26  C   LIG    1       -2.371  -1.714   2.024  0.00  0.00    +0.234 C 
ATOM     27  O   LIG    1       -3.547  -1.977   1.224  0.00  0.00    -0.491 OA
ATOM     28  C   LIG    1       -3.873  -0.750   0.709  0.00  0.00    +0.124 A 
ATOM     29  C   LIG    1       -5.063  -0.486   0.060  0.00  0.00    +0.049 A 
ATOM     30  C   LIG    1       -5.264   0.803  -0.430  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1       -4.273   1.778  -0.260  0.00  0.00    +0.129 A 
ATOM     32  F   LIG    1       -4.492   3.005  -0.757  0.00  0.00    -0.205 F 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   5  20
TORSDOF 6