REMARK  Name = BDB063828
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.549  -1.601  -1.846  0.00  0.00    +0.041 C 
ATOM      2  C   LIG    1        0.352  -1.186  -1.414  0.00  0.00    +0.130 C 
ATOM      3  C   LIG    1       -0.911  -1.821  -1.877  0.00  0.00    +0.269 C 
ATOM      4  O   LIG    1       -1.066  -2.744  -2.651  0.00  0.00    -0.268 OA
ATOM      5  N   LIG    1       -1.854  -1.102  -1.219  0.00  0.00    -0.253 N 
ATOM      6  H   LIG    1       -2.838  -1.261  -1.325  0.00  0.00    +0.158 HD
ATOM      7  C   LIG    1       -1.246  -0.155  -0.470  0.00  0.00    +0.188 C 
ATOM      8  N   LIG    1        0.053  -0.160  -0.543  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   1  15
ATOM      9  C   LIG    1        7.257   1.197   1.704  0.00  0.00    +0.172 C 
ATOM     10  N   LIG    1        6.255   0.640   0.828  0.00  0.00    -0.273 N 
ATOM     11  N   LIG    1        6.579   0.382  -0.457  0.00  0.00    -0.171 NA
ATOM     12  C   LIG    1        5.455  -0.116  -0.999  0.00  0.00    +0.093 A 
ATOM     13  C   LIG    1        4.423  -0.157   0.003  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        3.117  -0.607  -0.150  0.00  0.00    +0.019 A 
ATOM     15  C   LIG    1        2.863  -1.042  -1.473  0.00  0.00    -0.022 A 
ATOM     16  C   LIG    1        3.877  -1.026  -2.497  0.00  0.00    +0.010 A 
ATOM     17  C   LIG    1        5.200  -0.561  -2.305  0.00  0.00    +0.031 A 
ATOM     18  C   LIG    1        4.967   0.330   1.159  0.00  0.00    +0.116 A 
ENDBRANCH   1  15
BRANCH   7  19
ATOM     19  N   LIG    1       -1.923   0.734   0.297  0.00  0.00    -0.314 N 
ATOM     20  H   LIG    1       -1.298   1.310   0.855  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -3.296   0.698   0.763  0.00  0.00    +0.073 C 
ATOM     22  C   LIG    1       -3.601  -0.585   1.538  0.00  0.00    +0.022 C 
ATOM     23  C   LIG    1       -5.014  -0.569   2.127  0.00  0.00    +0.002 C 
ATOM     24  C   LIG    1       -6.039   0.153   1.250  0.00  0.00    +0.000 C 
ATOM     25  C   LIG    1       -5.612   0.214  -0.211  0.00  0.00    +0.002 C 
ATOM     26  C   LIG    1       -4.291   0.967  -0.378  0.00  0.00    +0.022 C 
ENDBRANCH  19  21
ENDBRANCH   7  19
TORSDOF 3