REMARK  Name = BDB021943
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.872   0.160   0.018  0.00  0.00    -0.269 N 
ATOM      2  H   LIG    1        1.747   1.058  -0.423  0.00  0.00    +0.156 HD
ATOM      3  C   LIG    1        0.751  -0.388   0.607  0.00  0.00    +0.307 C 
ATOM      4  N   LIG    1       -0.470   0.108   0.117  0.00  0.00    -0.275 N 
ATOM      5  O   LIG    1        0.783  -1.238   1.493  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1       -1.708  -0.467   0.698  0.00  0.00    +0.081 C 
ATOM      7  C   LIG    1       -2.116  -1.750  -0.045  0.00  0.00    +0.041 C 
ATOM      8  C   LIG    1       -3.563  -2.116   0.247  0.00  0.00    +0.109 C 
ATOM      9  N   LIG    1       -4.484  -1.060  -0.167  0.00  0.00    -0.302 N 
ATOM     10  C   LIG    1       -5.762  -1.426  -0.572  0.00  0.00    +0.212 C 
ATOM     11  O   LIG    1       -6.163  -2.589  -0.536  0.00  0.00    -0.276 OA
ATOM     12  C   LIG    1       -6.670  -0.327  -1.062  0.00  0.00    +0.109 C 
ATOM     13  C   LIG    1       -3.998   0.319  -0.145  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1       -2.874   0.527   0.861  0.00  0.00    +0.041 C 
ENDBRANCH   4   6
BRANCH   1  18
ATOM     15  C   LIG    1        5.949  -0.837   0.535  0.00  0.00    +0.120 A 
ATOM     16  C   LIG    1        4.969  -1.704   1.013  0.00  0.00    +0.047 A 
ATOM     17  C   LIG    1        3.610  -1.393   0.860  0.00  0.00    +0.027 A 
ATOM     18  C   LIG    1        3.217  -0.208   0.235  0.00  0.00    +0.035 A 
ATOM     19  C   LIG    1        4.204   0.657  -0.247  0.00  0.00    +0.027 A 
ATOM     20  C   LIG    1        5.559   0.346  -0.091  0.00  0.00    +0.047 A 
BRANCH  15  22
ATOM     21  C   LIG    1        7.744  -2.279   1.118  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1        7.300  -1.026   0.613  0.00  0.00    -0.495 OA
ENDBRANCH  15  22
ENDBRANCH   1  18
BRANCH   4  23
ATOM     23  C   LIG    1       -0.570   0.844  -1.148  0.00  0.00    +0.183 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -0.448   2.312  -0.929  0.00  0.00    +0.122 A 
ATOM     25  O   LIG    1       -0.706   3.093  -2.018  0.00  0.00    -0.466 OA
ATOM     26  C   LIG    1       -0.542   4.384  -1.634  0.00  0.00    +0.195 A 
ATOM     27  C   LIG    1       -0.177   4.450  -0.310  0.00  0.00    +0.041 A 
ATOM     28  C   LIG    1       -0.114   3.113   0.147  0.00  0.00    +0.046 A 
ENDBRANCH  23  24
ENDBRANCH   4  23
TORSDOF 5