REMARK  Name = BDB044920
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.509   0.199   0.181  0.00  0.00    +0.029 A 
ATOM      2  C   LIG    1       -1.147   0.464  -0.044  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1       -0.147  -0.420   0.369  0.00  0.00    +0.079 A 
ATOM      4  N   LIG    1        1.208  -0.104   0.087  0.00  0.00    -0.227 NA
ATOM      5  C   LIG    1        2.174  -0.916   0.454  0.00  0.00    +0.164 A 
ATOM      6  N   LIG    1        1.843  -2.096   1.147  0.00  0.00    -0.194 N 
ATOM      7  C   LIG    1        0.558  -2.462   1.459  0.00  0.00    +0.167 A 
ATOM      8  N   LIG    1        0.564  -3.600   2.119  0.00  0.00    -0.214 NA
ATOM      9  C   LIG    1        1.898  -3.885   2.204  0.00  0.00    +0.246 A 
ATOM     10  N   LIG    1        2.722  -3.002   1.632  0.00  0.00    -0.152 NA
ATOM     11  C   LIG    1       -0.519  -1.590   1.052  0.00  0.00    +0.045 A 
ATOM     12  C   LIG    1       -1.857  -1.859   1.323  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1       -2.841  -0.959   0.900  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   5  14
ATOM     14  C   LIG    1        3.574  -0.515   0.114  0.00  0.00    +0.023 A 
ATOM     15  C   LIG    1        3.885   0.855   0.090  0.00  0.00    +0.061 A 
ATOM     16  C   LIG    1        5.173   1.219  -0.240  0.00  0.00    +0.167 A 
ATOM     17  O   LIG    1        5.647   2.492  -0.304  0.00  0.00    -0.453 OA
ATOM     18  C   LIG    1        7.018   2.253  -0.688  0.00  0.00    +0.466 C 
ATOM     19  O   LIG    1        7.333   0.854  -0.847  0.00  0.00    -0.453 OA
ATOM     20  C   LIG    1        6.135   0.286  -0.550  0.00  0.00    +0.166 A 
ATOM     21  C   LIG    1        5.861  -1.064  -0.550  0.00  0.00    +0.050 A 
ATOM     22  C   LIG    1        4.562  -1.467  -0.218  0.00  0.00    +0.015 A 
ENDBRANCH   5  14
BRANCH   1  23
ATOM     23  N   LIG    1       -3.446   1.167  -0.203  0.00  0.00    -0.344 N 
ATOM     24  H   LIG    1       -3.112   1.701  -1.003  0.00  0.00    +0.146 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -4.860   0.808  -0.299  0.00  0.00    +0.104 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -5.654   2.016  -0.801  0.00  0.00    +0.046 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -7.130   1.690  -0.972  0.00  0.00    +0.157 C 
BRANCH  27  28
ATOM     28  O   LIG    1       -7.717   1.330   0.270  0.00  0.00    -0.395 OA
ATOM     29  H   LIG    1       -7.671   2.107   0.855  0.00  0.00    +0.209 HD
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   1  23
TORSDOF 6