REMARK  Name = BDB003095
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.403  -0.751   0.603  0.00  0.00    +0.049 A 
ATOM      2  C   LIG    1       -1.421   0.173   0.511  0.00  0.00    +0.039 A 
ATOM      3  N   LIG    1       -0.975   1.267   1.204  0.00  0.00    -0.281 N 
ATOM      4  H   LIG    1       -1.450   2.151   1.351  0.00  0.00    +0.189 HD
ATOM      5  N   LIG    1        0.238   1.106   1.750  0.00  0.00    -0.177 NA
ATOM      6  C   LIG    1        0.616  -0.121   1.361  0.00  0.00    +0.077 A 
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1       -2.753   0.113  -0.169  0.00  0.00    +0.037 C 
ATOM      8  C   LIG    1       -3.909   0.088   0.850  0.00  0.00    +0.010 C 
ATOM      9  C   LIG    1       -5.228   0.629   0.290  0.00  0.00    +0.001 C 
ATOM     10  C   LIG    1       -5.348   0.395  -1.209  0.00  0.00    +0.000 C 
ATOM     11  C   LIG    1       -4.229   1.088  -1.987  0.00  0.00    +0.001 C 
ATOM     12  C   LIG    1       -2.932   1.244  -1.188  0.00  0.00    +0.010 C 
ENDBRANCH   2   7
BRANCH   6  13
ATOM     13  C   LIG    1        1.948  -0.694   1.764  0.00  0.00    +0.141 C 
BRANCH  13  14
ATOM     14  N   LIG    1        3.011  -0.354   0.799  0.00  0.00    -0.297 NA
ATOM     15  C   LIG    1        2.810  -0.988  -0.514  0.00  0.00    +0.085 C 
ATOM     16  C   LIG    1        4.103  -1.193  -1.316  0.00  0.00    +0.015 C 
ATOM     17  C   LIG    1        5.114  -0.093  -1.030  0.00  0.00    +0.002 C 
ATOM     18  C   LIG    1        5.423  -0.009   0.466  0.00  0.00    +0.015 C 
ATOM     19  C   LIG    1        4.336  -0.637   1.346  0.00  0.00    +0.085 C 
ENDBRANCH  13  14
ENDBRANCH   6  13
TORSDOF 3