REMARK  Name = BDB017521
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.115   1.206  -1.532  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1        0.164   0.391  -1.049  0.00  0.00    -0.195 NA
ATOM      3  C   LIG    1       -0.719  -0.043  -1.948  0.00  0.00    +0.167 A 
ATOM      4  N   LIG    1       -1.813  -0.894  -1.730  0.00  0.00    -0.273 N 
ATOM      5  C   LIG    1       -2.494  -1.080  -2.952  0.00  0.00    +0.331 A 
ATOM      6  N   LIG    1       -1.784  -0.337  -3.917  0.00  0.00    -0.292 N 
ATOM      7  C   LIG    1       -2.113  -0.223  -5.308  0.00  0.00    +0.154 C 
ATOM      8  O   LIG    1       -3.498  -1.747  -3.143  0.00  0.00    -0.246 OA
ATOM      9  C   LIG    1       -0.711   0.286  -3.283  0.00  0.00    +0.107 A 
ATOM     10  C   LIG    1        0.279   1.111  -3.703  0.00  0.00    +0.144 A 
ATOM     11  N   LIG    1        1.204   1.579  -2.835  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1       -2.197  -1.463  -0.454  0.00  0.00    +0.094 C 
ATOM     13  C   LIG    1       -2.685  -0.395   0.544  0.00  0.00    +0.025 C 
ATOM     14  C   LIG    1       -2.535  -0.820   2.007  0.00  0.00    +0.002 C 
ATOM     15  C   LIG    1       -2.680  -2.325   2.180  0.00  0.00    +0.000 C 
ATOM     16  C   LIG    1       -1.617  -3.098   1.397  0.00  0.00    +0.002 C 
ATOM     17  C   LIG    1       -1.114  -2.363   0.152  0.00  0.00    +0.025 C 
ENDBRANCH   4  12
BRANCH   1  18
ATOM     18  N   LIG    1        2.110   1.736  -0.713  0.00  0.00    -0.282 N 
ATOM     19  H   LIG    1        2.734   2.295  -1.275  0.00  0.00    +0.155 HD
BRANCH  18  22
ATOM     20  C   LIG    1        4.515   2.996   0.260  0.00  0.00    +0.046 C 
ATOM     21  C   LIG    1        3.581   2.265   1.190  0.00  0.00    -0.024 A 
ATOM     22  C   LIG    1        2.351   1.625   0.639  0.00  0.00    +0.055 A 
ATOM     23  C   LIG    1        1.562   0.986   1.530  0.00  0.00    +0.138 A 
ATOM     24  N   LIG    1        1.883   0.926   2.880  0.00  0.00    -0.219 N 
ATOM     25  C   LIG    1        3.026   1.515   3.406  0.00  0.00    +0.156 A 
ATOM     26  N   LIG    1        3.091   1.311   4.702  0.00  0.00    -0.215 NA
ATOM     27  C   LIG    1        1.963   0.588   4.946  0.00  0.00    +0.246 A 
ATOM     28  N   LIG    1        1.197   0.326   3.886  0.00  0.00    -0.154 NA
ATOM     29  C   LIG    1        3.881   2.199   2.508  0.00  0.00    +0.053 A 
ENDBRANCH  18  22
ENDBRANCH   1  18
TORSDOF 3