REMARK  Name = BDB027944
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.521   0.459   0.126  0.00  0.00    -0.332 N 
ATOM      2  H   LIG    1       -0.581   1.373   0.575  0.00  0.00    +0.147 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -1.643   0.195  -0.792  0.00  0.00    +0.158 C 
ATOM      4  C   LIG    1       -2.093  -1.273  -0.724  0.00  0.00    +0.239 C 
ATOM      5  O   LIG    1       -1.851  -2.092  -1.610  0.00  0.00    -0.273 OA
ATOM      6  N   LIG    1       -2.826  -1.636   0.380  0.00  0.00    -0.255 N 
ATOM      7  H   LIG    1       -3.113  -2.605   0.395  0.00  0.00    +0.158 HD
ATOM      8  C   LIG    1       -3.655  -0.798   1.077  0.00  0.00    +0.219 C 
ATOM      9  O   LIG    1       -4.588  -1.242   1.741  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -3.362   0.680   0.987  0.00  0.00    +0.098 C 
ATOM     11  C   LIG    1       -2.843   1.061  -0.394  0.00  0.00    +0.041 C 
ENDBRANCH   1   3
BRANCH   1  15
ATOM     12  C   LIG    1        4.320   0.544   1.379  0.00  0.00    +0.045 C 
ATOM     13  C   LIG    1        3.201   0.120   0.465  0.00  0.00    -0.031 A 
ATOM     14  C   LIG    1        1.860   0.508   0.701  0.00  0.00    +0.075 A 
ATOM     15  C   LIG    1        0.808   0.115  -0.172  0.00  0.00    +0.046 A 
ATOM     16  C   LIG    1        1.149  -0.718  -1.247  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1        2.470  -1.106  -1.485  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1        3.491  -0.688  -0.638  0.00  0.00    +0.005 A 
BRANCH  14  19
ATOM     19  C   LIG    1        1.559   1.325   1.848  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1        1.300   2.006   2.752  0.00  0.00    -0.191 NA
ENDBRANCH  14  19
ENDBRANCH   1  15
TORSDOF 3