REMARK  Name = BDB063852
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.976   1.356   0.238  0.00  0.00    +0.041 C 
ATOM      2  C   LIG    1        1.646   1.250   0.129  0.00  0.00    +0.130 C 
ATOM      3  C   LIG    1        0.742   2.398   0.404  0.00  0.00    +0.269 C 
ATOM      4  O   LIG    1        1.023   3.531   0.740  0.00  0.00    -0.268 OA
ATOM      5  N   LIG    1       -0.484   1.859   0.192  0.00  0.00    -0.253 N 
ATOM      6  H   LIG    1       -1.332   2.382   0.296  0.00  0.00    +0.158 HD
ATOM      7  C   LIG    1       -0.343   0.561  -0.156  0.00  0.00    +0.188 C 
ATOM      8  N   LIG    1        0.890   0.149  -0.210  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   1  15
ATOM      9  C   LIG    1        7.937  -0.271   2.201  0.00  0.00    +0.150 C 
ATOM     10  N   LIG    1        7.310  -0.985   1.119  0.00  0.00    -0.333 N 
ATOM     11  C   LIG    1        6.094  -0.692   0.552  0.00  0.00    +0.069 A 
ATOM     12  C   LIG    1        5.942  -1.662  -0.435  0.00  0.00    +0.089 A 
ATOM     13  C   LIG    1        4.787  -1.657  -1.227  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        3.813  -0.672  -0.997  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1        3.968   0.292   0.009  0.00  0.00    -0.021 A 
ATOM     16  N   LIG    1        7.023  -2.509  -0.466  0.00  0.00    -0.236 NA
ATOM     17  C   LIG    1        5.134   0.300   0.797  0.00  0.00    +0.036 A 
ATOM     18  C   LIG    1        7.826  -2.076   0.479  0.00  0.00    +0.200 A 
ENDBRANCH   1  15
BRANCH   7  19
ATOM     19  N   LIG    1       -1.381  -0.266  -0.433  0.00  0.00    -0.311 N 
ATOM     20  H   LIG    1       -1.066  -1.217  -0.605  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -2.814  -0.096  -0.274  0.00  0.00    +0.035 C 
ATOM     22  C   LIG    1       -3.189   0.241   1.186  0.00  0.00    +0.029 C 
ATOM     23  C   LIG    1       -4.716   0.366   1.330  0.00  0.00    -0.008 C 
ATOM     24  C   LIG    1       -5.373  -0.971   0.952  0.00  0.00    +0.007 C 
ATOM     25  C   LIG    1       -5.028  -1.332  -0.502  0.00  0.00    -0.008 C 
ATOM     26  C   LIG    1       -5.545  -0.228  -1.437  0.00  0.00    +0.007 C 
ATOM     27  C   LIG    1       -4.888   1.114  -1.075  0.00  0.00    -0.008 C 
ATOM     28  C   LIG    1       -5.226   1.468   0.384  0.00  0.00    +0.007 C 
ATOM     29  C   LIG    1       -3.501  -1.440  -0.645  0.00  0.00    +0.029 C 
ATOM     30  C   LIG    1       -3.361   0.990  -1.227  0.00  0.00    +0.029 C 
ENDBRANCH  19  21
ENDBRANCH   7  19
TORSDOF 3