REMARK  Name = BDB007516
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.547  -3.377  -1.756  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -1.570  -2.316  -1.145  0.00  0.00    +0.244 C 
ATOM      3  N   LIG    1       -0.672  -1.294  -1.375  0.00  0.00    -0.309 N 
ATOM      4  H   LIG    1       -0.607  -0.532  -0.714  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -2.561  -2.090  -0.058  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1       -3.038  -0.809   0.254  0.00  0.00    +0.017 A 
ATOM      7  C   LIG    1       -3.971  -0.623   1.289  0.00  0.00    -0.042 A 
ATOM      8  C   LIG    1       -4.426  -1.750   1.992  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1       -3.966  -3.028   1.671  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -3.038  -3.200   0.646  0.00  0.00    +0.013 A 
BRANCH   7  11
ATOM     11  C   LIG    1       -4.514   0.745   1.638  0.00  0.00    +0.034 C 
ATOM     12  C   LIG    1       -3.456   1.839   1.862  0.00  0.00    +0.089 C 
ATOM     13  N   LIG    1       -3.792   2.953   0.958  0.00  0.00    -0.315 NA
ATOM     14  H   LIG    1       -3.292   2.821   0.078  0.00  0.00    +0.122 HD
ATOM     15  C   LIG    1       -5.228   2.816   0.694  0.00  0.00    +0.081 C 
ATOM     16  C   LIG    1       -5.426   1.320   0.553  0.00  0.00    +0.024 C 
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   3  17
ATOM     17  C   LIG    1        0.380  -1.429  -2.365  0.00  0.00    +0.137 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.519  -2.387  -1.969  0.00  0.00    +0.145 C 
BRANCH  18  19
ATOM     19  O   LIG    1        2.484  -2.451  -3.026  0.00  0.00    -0.389 OA
ATOM     20  H   LIG    1        2.063  -2.912  -3.772  0.00  0.00    +0.210 HD
ENDBRANCH  18  19
BRANCH  18  21
ATOM     21  C   LIG    1        2.216  -2.079  -0.614  0.00  0.00    +0.117 C 
BRANCH  21  22
ATOM     22  N   LIG    1        3.269  -1.043  -0.542  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1        2.825   0.282  -0.989  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1        3.773   1.422  -0.667  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1        4.825   1.260   0.248  0.00  0.00    -0.042 A 
ATOM     26  C   LIG    1        5.675   2.337   0.535  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        5.465   3.578  -0.064  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        4.411   3.749  -0.959  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        5.071  -0.090   0.866  0.00  0.00    +0.051 C 
ATOM     30  C   LIG    1        3.569   2.678  -1.259  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1        3.821  -0.976   0.820  0.00  0.00    +0.089 C 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 7