REMARK  Name = BDB020524
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.851   0.211   0.337  0.00  0.00    +0.139 A 
ATOM      2  N   LIG    1        2.813  -0.607   0.629  0.00  0.00    -0.237 NA
ATOM      3  C   LIG    1        1.607  -0.307   0.086  0.00  0.00    +0.122 A 
ATOM      4  C   LIG    1        1.344   0.793  -0.745  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1        2.448   1.628  -1.025  0.00  0.00    -0.012 A 
ATOM      6  C   LIG    1        2.275   2.752  -1.849  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1        1.029   3.056  -2.396  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -0.066   2.243  -2.122  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1        0.073   1.117  -1.295  0.00  0.00    +0.011 A 
ATOM     10  C   LIG    1        3.707   1.329  -0.480  0.00  0.00    +0.055 A 
ENDROOT
BRANCH   9  11
ATOM     11  C   LIG    1       -1.097   0.299  -1.032  0.00  0.00    +0.094 A 
ATOM     12  C   LIG    1       -2.289   0.729  -0.487  0.00  0.00    +0.064 A 
ATOM     13  C   LIG    1       -2.805   2.018   0.000  0.00  0.00    +0.163 C 
ATOM     14  N   LIG    1       -3.729   1.780   1.103  0.00  0.00    -0.297 N 
ATOM     15  C   LIG    1       -4.644   0.730   1.084  0.00  0.00    +0.238 C 
ATOM     16  C   LIG    1       -4.432  -0.388   0.059  0.00  0.00    +0.171 C 
ATOM     17  C   LIG    1       -5.440  -0.241  -1.075  0.00  0.00    +0.041 C 
ATOM     18  O   LIG    1       -5.617   0.690   1.842  0.00  0.00    -0.273 OA
ATOM     19  C   LIG    1       -3.982   2.902   1.989  0.00  0.00    +0.132 C 
ATOM     20  N   LIG    1       -3.071  -0.392  -0.442  0.00  0.00    -0.318 N 
ATOM     21  C   LIG    1       -2.342  -1.445  -0.914  0.00  0.00    +0.114 A 
ATOM     22  N   LIG    1       -1.143  -1.051  -1.287  0.00  0.00    -0.232 NA
BRANCH  21  23
ATOM     23  C   LIG    1       -2.824  -2.918  -1.024  0.00  0.00    +0.055 C 
ATOM     24  C   LIG    1       -2.920  -3.751   0.228  0.00  0.00    +0.012 C 
ATOM     25  C   LIG    1       -1.834  -4.025  -0.771  0.00  0.00    +0.012 C 
ENDBRANCH  21  23
ENDBRANCH   9  11
BRANCH   1  30
ATOM     26  C   LIG    1        7.510  -2.033   2.899  0.00  0.00    +0.067 C 
ATOM     27  C   LIG    1        6.708  -1.126   2.049  0.00  0.00    +0.056 A 
ATOM     28  N   LIG    1        7.286  -0.037   1.447  0.00  0.00    -0.241 NA
ATOM     29  C   LIG    1        6.315   0.543   0.774  0.00  0.00    +0.205 A 
ATOM     30  N   LIG    1        5.114  -0.115   0.906  0.00  0.00    -0.290 N 
ATOM     31  C   LIG    1        5.370  -1.192   1.728  0.00  0.00    +0.117 A 
ENDBRANCH   1  30
TORSDOF 3