REMARK  Name = BDB018442
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.331  -2.024   0.469  0.00  0.00    -0.003 A 
ATOM      2  C   LIG    1        0.054  -2.547  -0.052  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1       -0.175  -3.870   0.068  0.00  0.00    +0.098 A 
ATOM      4  N   LIG    1        0.725  -4.738   0.662  0.00  0.00    -0.318 N 
ATOM      5  C   LIG    1        0.373  -6.147   0.754  0.00  0.00    +0.152 C 
ATOM      6  C   LIG    1        1.936  -4.306   1.185  0.00  0.00    +0.252 A 
ATOM      7  O   LIG    1        2.766  -5.024   1.736  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1        2.216  -2.857   1.047  0.00  0.00    +0.079 A 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1        2.418   2.115   0.176  0.00  0.00    +0.162 A 
ATOM     10  C   LIG    1        2.061   1.567   1.425  0.00  0.00    +0.162 A 
ATOM     11  C   LIG    1        1.729   0.211   1.518  0.00  0.00    +0.058 A 
ATOM     12  C   LIG    1        1.750  -0.608   0.379  0.00  0.00    -0.013 A 
ATOM     13  C   LIG    1        2.123  -0.061  -0.853  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        2.453   1.292  -0.954  0.00  0.00    +0.050 A 
BRANCH   9  16
ATOM     15  C   LIG    1        3.101   4.039  -1.067  0.00  0.00    +0.277 C 
ATOM     16  O   LIG    1        2.709   3.457   0.169  0.00  0.00    -0.491 OA
ENDBRANCH   9  16
BRANCH  10  17
ATOM     17  O   LIG    1        2.036   2.440   2.485  0.00  0.00    -0.491 OA
ATOM     18  C   LIG    1        1.950   1.883   3.790  0.00  0.00    +0.277 C 
ENDBRANCH  10  17
ENDBRANCH   1  12
BRANCH   2  19
ATOM     19  C   LIG    1       -0.916  -1.696  -0.680  0.00  0.00    +0.022 A 
ATOM     20  C   LIG    1       -1.378  -0.483  -0.222  0.00  0.00    +0.123 A 
ATOM     21  N   LIG    1       -2.262   0.009  -1.164  0.00  0.00    -0.238 N 
ATOM     22  N   LIG    1       -2.446  -0.889  -2.158  0.00  0.00    -0.174 NA
ATOM     23  C   LIG    1       -1.625  -1.900  -1.875  0.00  0.00    +0.143 A 
BRANCH  21  24
ATOM     24  C   LIG    1       -2.908   1.282  -1.174  0.00  0.00    +0.083 A 
ATOM     25  C   LIG    1       -3.939   1.598  -2.084  0.00  0.00    +0.077 A 
ATOM     26  C   LIG    1       -4.516   2.883  -2.049  0.00  0.00    +0.021 A 
ATOM     27  C   LIG    1       -4.086   3.844  -1.135  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -3.071   3.534  -0.240  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1       -2.485   2.265  -0.256  0.00  0.00    +0.029 A 
BRANCH  25  30
ATOM     30  C   LIG    1       -4.499   0.688  -3.051  0.00  0.00    +0.101 C 
ATOM     31  N   LIG    1       -5.031   0.033  -3.849  0.00  0.00    -0.191 NA
ENDBRANCH  25  30
ENDBRANCH  21  24
ENDBRANCH   2  19
TORSDOF 6