REMARK  Name = BDB018393
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.031   4.225   0.915  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1       -3.423   2.923   0.687  0.00  0.00    -0.318 N 
ATOM      3  C   LIG    1       -4.087   1.780   1.110  0.00  0.00    +0.252 A 
ATOM      4  O   LIG    1       -5.179   1.763   1.670  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1       -3.395   0.496   0.840  0.00  0.00    +0.079 A 
ATOM      6  C   LIG    1       -2.189   0.448   0.242  0.00  0.00    -0.002 A 
ATOM      7  C   LIG    1       -1.528   1.713  -0.140  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1       -2.176   2.871   0.090  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1       -1.618  -0.886  -0.007  0.00  0.00    -0.001 A 
ATOM     10  C   LIG    1       -1.595  -1.375  -1.264  0.00  0.00    +0.094 A 
ATOM     11  N   LIG    1       -1.063  -2.610  -1.542  0.00  0.00    -0.329 N 
ATOM     12  H   LIG    1       -1.054  -2.957  -2.493  0.00  0.00    +0.168 HD
ATOM     13  C   LIG    1       -0.512  -3.440  -0.598  0.00  0.00    +0.249 A 
ATOM     14  O   LIG    1       -0.042  -4.538  -0.870  0.00  0.00    -0.268 OA
ATOM     15  C   LIG    1       -0.521  -2.924   0.792  0.00  0.00    +0.071 A 
ATOM     16  C   LIG    1       -1.051  -1.719   1.050  0.00  0.00    +0.015 A 
ENDBRANCH   6   9
BRANCH   7  17
ATOM     17  C   LIG    1       -0.228   1.717  -0.737  0.00  0.00    +0.022 A 
ATOM     18  C   LIG    1        0.924   1.211  -0.182  0.00  0.00    +0.117 A 
ATOM     19  N   LIG    1        1.900   1.364  -1.129  0.00  0.00    -0.267 N 
ATOM     20  N   LIG    1        1.468   2.017  -2.232  0.00  0.00    -0.179 NA
ATOM     21  C   LIG    1        0.169   2.219  -1.992  0.00  0.00    +0.143 A 
BRANCH  19  22
ATOM     22  C   LIG    1        3.293   0.940  -1.033  0.00  0.00    +0.178 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.424  -0.505  -0.615  0.00  0.00    -0.026 A 
ATOM     24  C   LIG    1        4.030  -0.842   0.605  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1        4.134  -2.178   0.999  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        3.636  -3.188   0.178  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        3.040  -2.866  -1.039  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        2.936  -1.533  -1.436  0.00  0.00    +0.005 A 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH   7  17
TORSDOF 4