REMARK  Name = BDB020472
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.593   2.026  -2.158  0.00  0.00    +0.041 C 
ATOM      2  C   LIG    1       -3.865   1.778  -0.678  0.00  0.00    +0.171 C 
ATOM      3  N   LIG    1       -2.800   0.999  -0.067  0.00  0.00    -0.318 N 
ATOM      4  C   LIG    1       -1.768   1.583   0.621  0.00  0.00    +0.064 A 
ATOM      5  C   LIG    1       -0.990   0.531   1.048  0.00  0.00    +0.094 A 
ATOM      6  N   LIG    1       -1.515  -0.659   0.613  0.00  0.00    -0.232 NA
ATOM      7  C   LIG    1       -1.679   3.050   0.725  0.00  0.00    +0.163 C 
ATOM      8  N   LIG    1       -3.024   3.599   0.826  0.00  0.00    -0.297 N 
ATOM      9  C   LIG    1       -3.143   4.928   1.397  0.00  0.00    +0.132 C 
ATOM     10  C   LIG    1       -2.613  -0.361  -0.058  0.00  0.00    +0.115 A 
ATOM     11  C   LIG    1       -4.066   3.119   0.036  0.00  0.00    +0.238 C 
ATOM     12  O   LIG    1       -5.117   3.745  -0.119  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   5  13
ATOM     13  C   LIG    1        0.238   0.623   1.812  0.00  0.00    +0.011 A 
ATOM     14  C   LIG    1        1.471   0.141   1.294  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1        2.639   0.269   2.069  0.00  0.00    -0.013 A 
ATOM     16  C   LIG    1        3.861  -0.191   1.553  0.00  0.00    +0.052 A 
ATOM     17  C   LIG    1        3.931  -0.760   0.281  0.00  0.00    +0.122 A 
ATOM     18  N   LIG    1        2.821  -0.906  -0.466  0.00  0.00    -0.240 NA
ATOM     19  C   LIG    1        2.565   0.850   3.346  0.00  0.00    +0.009 A 
ATOM     20  C   LIG    1        1.351   1.304   3.857  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        1.640  -0.467   0.042  0.00  0.00    +0.122 A 
ATOM     22  C   LIG    1        0.192   1.192   3.094  0.00  0.00    +0.011 A 
BRANCH  17  23
ATOM     23  N   LIG    1        5.172  -1.219  -0.205  0.00  0.00    -0.311 N 
ATOM     24  C   LIG    1        6.157  -0.129  -0.374  0.00  0.00    +0.134 C 
ATOM     25  C   LIG    1        7.499  -0.714  -0.849  0.00  0.00    +0.178 C 
ATOM     26  O   LIG    1        7.352  -1.465  -2.064  0.00  0.00    -0.377 OA
ATOM     27  C   LIG    1        6.420  -2.543  -1.868  0.00  0.00    +0.178 C 
ATOM     28  C   LIG    1        5.039  -2.021  -1.443  0.00  0.00    +0.134 C 
ENDBRANCH  17  23
ENDBRANCH   5  13
BRANCH  10  29
ATOM     29  C   LIG    1       -3.511  -1.362  -0.723  0.00  0.00    +0.060 C 
ATOM     30  C   LIG    1       -4.068  -2.357   0.298  0.00  0.00    +0.039 C 
ATOM     31  C   LIG    1       -4.987  -3.370  -0.382  0.00  0.00    +0.160 C 
ATOM     32  O   LIG    1       -4.705  -3.539  -1.773  0.00  0.00    -0.380 OA
ATOM     33  C   LIG    1       -3.307  -3.517  -2.046  0.00  0.00    +0.160 C 
ATOM     34  C   LIG    1       -2.764  -2.107  -1.841  0.00  0.00    +0.039 C 
ENDBRANCH  10  29
TORSDOF 3