REMARK  Name = BDB016312
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.762  -1.531  -1.685  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -1.869  -1.638  -0.449  0.00  0.00    +0.076 C 
ATOM      3  N   LIG    1       -0.939  -0.515  -0.344  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -0.400  -0.460  -1.211  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -1.332   0.783   0.025  0.00  0.00    +0.052 A 
ATOM      6  C   LIG    1       -2.583   1.163   0.564  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -2.851   2.527   0.806  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -1.891   3.512   0.607  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -0.626   3.147   0.181  0.00  0.00    +0.005 A 
ATOM     10  N   LIG    1       -3.661   0.323   0.903  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -4.529   0.774   1.166  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -3.763  -1.020   1.045  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1       -4.851  -1.495   1.382  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -0.332   1.801  -0.097  0.00  0.00    -0.024 A 
ATOM     15  C   LIG    1       -2.573  -1.899   0.859  0.00  0.00    +0.118 C 
ENDROOT
BRANCH  14  16
ATOM     16  C   LIG    1        1.109   1.469  -0.452  0.00  0.00    +0.042 C 
BRANCH  16  17
ATOM     17  C   LIG    1        1.855   0.917   0.769  0.00  0.00    +0.043 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.957  -0.030   0.367  0.00  0.00    -0.006 A 
ATOM     19  C   LIG    1        2.719  -1.382   0.084  0.00  0.00    +0.120 A 
ATOM     20  C   LIG    1        3.762  -2.228  -0.291  0.00  0.00    +0.045 A 
ATOM     21  C   LIG    1        5.060  -1.732  -0.399  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1        5.313  -0.390  -0.131  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        4.269   0.456   0.247  0.00  0.00    +0.007 A 
BRANCH  19  24
ATOM     24  O   LIG    1        1.482  -1.958   0.150  0.00  0.00    -0.506 OA
ATOM     25  H   LIG    1        0.797  -1.289   0.350  0.00  0.00    +0.292 HD
ENDBRANCH  19  24
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  14  16
TORSDOF 4