REMARK  Name = BDB045568
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.530   0.350   0.258  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1       -2.200   0.149  -0.155  0.00  0.00    +0.102 A 
ATOM      3  C   LIG    1       -1.960  -0.164  -1.490  0.00  0.00    +0.067 A 
ATOM      4  N   LIG    1       -0.596  -0.292  -1.572  0.00  0.00    -0.338 N 
ATOM      5  H   LIG    1       -0.079  -0.496  -2.412  0.00  0.00    +0.167 HD
ATOM      6  C   LIG    1       -0.050  -0.087  -0.326  0.00  0.00    +0.139 A 
ATOM      7  C   LIG    1       -2.968  -0.290  -2.450  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1       -4.283  -0.088  -2.019  0.00  0.00    +0.003 A 
ATOM      9  N   LIG    1       -1.013   0.171   0.541  0.00  0.00    -0.227 NA
ATOM     10  C   LIG    1       -4.566   0.228  -0.688  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1        1.384  -0.140  -0.019  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1        1.820   0.245   1.258  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1        3.175   0.215   1.601  0.00  0.00    +0.006 A 
ATOM     14  C   LIG    1        4.129  -0.209   0.671  0.00  0.00    -0.022 A 
ATOM     15  C   LIG    1        3.703  -0.590  -0.608  0.00  0.00    +0.006 A 
ATOM     16  C   LIG    1        2.346  -0.559  -0.949  0.00  0.00    +0.012 A 
BRANCH  14  17
ATOM     17  C   LIG    1        5.593  -0.225   1.018  0.00  0.00    +0.191 C 
BRANCH  17  18
ATOM     18  O   LIG    1        6.263   0.851   0.376  0.00  0.00    -0.390 OA
ATOM     19  H   LIG    1        5.605   1.550   0.217  0.00  0.00    +0.210 HD
ENDBRANCH  17  18
ENDBRANCH  14  17
ENDBRANCH   6  11
BRANCH   1  23
ATOM     20  N   LIG    1       -4.899   0.046   2.221  0.00  0.00    -0.325 N 
ATOM     21  H   LIG    1       -5.010   0.184   3.218  0.00  0.00    +0.145 HD
ATOM     22  H   LIG    1       -5.244  -0.817   1.828  0.00  0.00    +0.145 HD
ATOM     23  C   LIG    1       -3.836   0.704   1.657  0.00  0.00    +0.244 C 
ATOM     24  O   LIG    1       -3.205   1.537   2.291  0.00  0.00    -0.270 OA
ENDBRANCH   1  23
TORSDOF 4