REMARK  Name = BDB039683
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.349  -0.201   0.513  0.00  0.00    -0.323 N 
ATOM      2  C   LIG    1       -1.589  -1.378   0.914  0.00  0.00    +0.091 C 
ATOM      3  C   LIG    1       -0.131  -1.191   1.442  0.00  0.00    +0.077 C 
ATOM      4  C   LIG    1       -0.477  -2.259   2.515  0.00  0.00    +0.022 C 
ATOM      5  N   LIG    1        0.069   0.105   2.118  0.00  0.00    -0.292 NA
ATOM      6  C   LIG    1       -0.361   1.166   1.207  0.00  0.00    +0.104 C 
ATOM      7  C   LIG    1       -1.971  -1.923   2.311  0.00  0.00    +0.025 C 
ATOM      8  C   LIG    1       -1.885   1.110   1.013  0.00  0.00    +0.121 C 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1       -6.361  -0.433  -0.733  0.00  0.00    +0.125 A 
ATOM     10  N   LIG    1       -5.892   0.776  -0.329  0.00  0.00    -0.249 NA
ATOM     11  C   LIG    1       -4.591   0.809   0.068  0.00  0.00    +0.134 A 
ATOM     12  C   LIG    1       -3.705  -0.278   0.096  0.00  0.00    +0.048 A 
ATOM     13  C   LIG    1       -4.258  -1.493  -0.340  0.00  0.00    +0.027 A 
ATOM     14  C   LIG    1       -5.589  -1.582  -0.756  0.00  0.00    +0.035 A 
BRANCH   9  18
ATOM     15  C   LIG    1       -9.793   0.912  -1.567  0.00  0.00    +0.128 C 
ATOM     16  N   LIG    1       -8.457   0.723  -1.071  0.00  0.00    -0.313 N 
ATOM     17  H   LIG    1       -7.887   1.521  -0.803  0.00  0.00    +0.149 HD
ATOM     18  C   LIG    1       -7.793  -0.481  -1.175  0.00  0.00    +0.262 C 
ATOM     19  O   LIG    1       -8.300  -1.514  -1.598  0.00  0.00    -0.269 OA
ENDBRANCH   9  18
ENDBRANCH   1  12
BRANCH   5  20
ATOM     20  C   LIG    1        1.436   0.274   2.632  0.00  0.00    +0.121 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.563   0.318   1.630  0.00  0.00    -0.013 A 
ATOM     22  C   LIG    1        2.954   1.510   1.011  0.00  0.00    +0.034 A 
ATOM     23  C   LIG    1        4.002   1.491   0.097  0.00  0.00    +0.068 A 
ATOM     24  C   LIG    1        4.647   0.285  -0.175  0.00  0.00    +0.094 A 
ATOM     25  C   LIG    1        5.756   0.266  -1.141  0.00  0.00    +0.027 A 
ATOM     26  C   LIG    1        6.466  -1.037  -1.378  0.00  0.00    +0.044 C 
ATOM     27  C   LIG    1        7.760  -0.831  -2.158  0.00  0.00    +0.046 C 
ATOM     28  C   LIG    1        7.533   0.197  -3.252  0.00  0.00    +0.229 C 
ATOM     29  O   LIG    1        7.138   1.460  -2.712  0.00  0.00    -0.486 OA
ATOM     30  C   LIG    1        6.122   1.402  -1.772  0.00  0.00    +0.190 A 
ATOM     31  C   LIG    1        5.424   2.702  -1.464  0.00  0.00    +0.291 A 
ATOM     32  O   LIG    1        5.733   3.760  -2.005  0.00  0.00    -0.264 OA
ATOM     33  N   LIG    1        4.295  -0.880   0.413  0.00  0.00    -0.253 NA
ATOM     34  N   LIG    1        4.407   2.663  -0.545  0.00  0.00    -0.318 N 
ATOM     35  H   LIG    1        3.954   3.547  -0.358  0.00  0.00    +0.169 HD
ATOM     36  C   LIG    1        3.272  -0.836   1.298  0.00  0.00    +0.116 A 
ENDBRANCH  20  21
ENDBRANCH   5  20
TORSDOF 4