REMARK  Name = BDB013007
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.096  -0.306  -0.115  0.00  0.00    +0.047 A 
ATOM      2  C   LIG    1        1.620   0.681  -1.013  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1        0.338   1.134  -0.822  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1        0.122   2.042  -1.817  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        1.205   2.165  -2.551  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -0.498   0.678   0.207  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -0.049  -0.232   1.031  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        2.152   1.302  -2.046  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        1.241  -0.693   0.857  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        6.061  -1.759  -0.086  0.00  0.00    +0.215 A 
ATOM     11  N   LIG    1        5.834  -0.455   0.162  0.00  0.00    -0.221 NA
ATOM     12  C   LIG    1        4.544  -0.049   0.116  0.00  0.00    +0.123 A 
ATOM     13  C   LIG    1        3.454  -0.882  -0.149  0.00  0.00    +0.008 A 
ATOM     14  C   LIG    1        3.727  -2.232  -0.434  0.00  0.00    -0.036 A 
ATOM     15  C   LIG    1        2.654  -3.233  -0.757  0.00  0.00    +0.044 C 
ATOM     16  C   LIG    1        5.059  -2.670  -0.381  0.00  0.00    +0.071 A 
BRANCH  10  18
ATOM     17  C   LIG    1        8.323  -1.249   0.205  0.00  0.00    +0.279 C 
ATOM     18  O   LIG    1        7.349  -2.258  -0.045  0.00  0.00    -0.480 OA
ENDBRANCH  10  18
ENDBRANCH   1  13
BRANCH   6  19
ATOM     19  N   LIG    1       -1.771   1.199   0.313  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1       -1.910   2.147  -0.017  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -2.610   0.880   1.459  0.00  0.00    +0.143 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.003   1.382   1.215  0.00  0.00    +0.012 A 
ATOM     23  C   LIG    1       -4.846   0.808   0.268  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1       -4.595  -0.297  -0.690  0.00  0.00    +0.080 C 
ATOM     25  C   LIG    1       -6.029  -0.553  -1.150  0.00  0.00    +0.234 C 
ATOM     26  O   LIG    1       -6.815   0.641  -0.930  0.00  0.00    -0.491 OA
ATOM     27  C   LIG    1       -6.123   1.308   0.046  0.00  0.00    +0.124 A 
ATOM     28  C   LIG    1       -6.620   2.392   0.740  0.00  0.00    +0.049 A 
ATOM     29  C   LIG    1       -5.797   2.980   1.701  0.00  0.00    +0.042 A 
ATOM     30  C   LIG    1       -4.509   2.476   1.929  0.00  0.00    +0.129 A 
ATOM     31  F   LIG    1       -3.742   3.082   2.846  0.00  0.00    -0.205 F 
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   6  19
TORSDOF 5