REMARK  Name = BDB003962
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.046   0.103   0.247  0.00  0.00    -0.309 N 
ATOM      2  C   LIG    1       -1.050   1.039   0.460  0.00  0.00    +0.123 C 
ATOM      3  C   LIG    1       -2.069   0.670  -0.647  0.00  0.00    +0.064 C 
ATOM      4  C   LIG    1       -3.478   1.016  -0.181  0.00  0.00    +0.227 C 
ATOM      5  O   LIG    1       -3.720   1.659   0.836  0.00  0.00    -0.275 OA
ATOM      6  N   LIG    1       -4.499   0.499  -0.937  0.00  0.00    -0.256 N 
ATOM      7  H   LIG    1       -5.332   0.414  -0.360  0.00  0.00    +0.157 HD
ATOM      8  C   LIG    1       -4.952   1.161  -2.043  0.00  0.00    +0.219 C 
ATOM      9  O   LIG    1       -6.166   1.291  -2.202  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -3.972   1.825  -2.980  0.00  0.00    +0.096 C 
ATOM     11  C   LIG    1       -2.638   1.115  -3.138  0.00  0.00    +0.010 C 
ATOM     12  C   LIG    1       -1.698   1.382  -1.963  0.00  0.00    +0.018 C 
ATOM     13  C   LIG    1       -1.873  -0.858  -0.714  0.00  0.00    +0.036 C 
ATOM     14  C   LIG    1       -0.374  -1.069  -0.501  0.00  0.00    +0.108 C 
ENDROOT
BRANCH   1  19
ATOM     15  C   LIG    1        4.277  -1.547   1.932  0.00  0.00    +0.146 A 
ATOM     16  C   LIG    1        3.148  -0.703   1.745  0.00  0.00    +0.122 A 
ATOM     17  C   LIG    1        3.086   0.484   2.478  0.00  0.00    +0.044 A 
ATOM     18  S   LIG    1        1.641   1.324   2.080  0.00  0.00    -0.052 S 
ATOM     19  C   LIG    1        1.188   0.075   0.982  0.00  0.00    +0.162 A 
ATOM     20  C   LIG    1        4.091   0.867   3.384  0.00  0.00    +0.017 A 
ATOM     21  C   LIG    1        5.188   0.024   3.553  0.00  0.00    +0.005 A 
ATOM     22  N   LIG    1        2.058  -0.906   0.904  0.00  0.00    -0.221 NA
ATOM     23  C   LIG    1        5.280  -1.165   2.838  0.00  0.00    +0.048 A 
BRANCH  15  25
ATOM     24  C   LIG    1        3.573  -3.196   0.357  0.00  0.00    +0.277 C 
ATOM     25  O   LIG    1        4.537  -2.764   1.308  0.00  0.00    -0.493 OA
ENDBRANCH  15  25
ENDBRANCH   1  19
TORSDOF 2