REMARK  Name = BDB001100
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.191  -0.314   0.582  0.00  0.00    +0.139 A 
ATOM      2  N   LIG    1       -0.661  -0.888   1.742  0.00  0.00    -0.338 N 
ATOM      3  H   LIG    1       -0.110  -1.091   2.561  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1       -2.007  -1.119   1.615  0.00  0.00    +0.067 A 
ATOM      5  C   LIG    1       -2.320  -0.658   0.341  0.00  0.00    +0.102 A 
ATOM      6  C   LIG    1       -3.651  -0.752  -0.111  0.00  0.00    +0.064 A 
ATOM      7  C   LIG    1       -4.613  -1.310   0.751  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1       -4.263  -1.762   2.026  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -2.945  -1.675   2.487  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1       -1.185  -0.161  -0.275  0.00  0.00    -0.227 NA
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1        3.866   0.894  -0.149  0.00  0.00    +0.120 A 
ATOM     12  C   LIG    1        3.566   0.072   0.938  0.00  0.00    +0.046 A 
ATOM     13  C   LIG    1        2.251  -0.334   1.192  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1        1.205   0.081   0.358  0.00  0.00    +0.018 A 
ATOM     15  C   LIG    1        1.518   0.902  -0.735  0.00  0.00    +0.015 A 
ATOM     16  C   LIG    1        2.834   1.308  -0.989  0.00  0.00    +0.046 A 
BRANCH  11  18
ATOM     17  C   LIG    1        5.545   2.043  -1.378  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1        5.189   1.214  -0.278  0.00  0.00    -0.495 OA
ENDBRANCH  11  18
ENDBRANCH   1  14
BRANCH   6  19
ATOM     19  C   LIG    1       -4.064  -0.286  -1.456  0.00  0.00    +0.244 C 
ATOM     20  O   LIG    1       -5.227  -0.367  -1.834  0.00  0.00    -0.270 OA
ATOM     21  N   LIG    1       -3.097   0.239  -2.263  0.00  0.00    -0.325 N 
ATOM     22  H   LIG    1       -2.129   0.297  -1.953  0.00  0.00    +0.145 HD
ATOM     23  H   LIG    1       -3.347   0.554  -3.188  0.00  0.00    +0.145 HD
ENDBRANCH   6  19
TORSDOF 3