REMARK  Name = BDB013727
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.182  -0.343  -0.634  0.00  0.00    +0.106 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.222   0.036  -0.133  0.00  0.00    -0.028 A 
ATOM      3  C   LIG    1        2.242   0.397  -1.031  0.00  0.00    +0.009 A 
ATOM      4  C   LIG    1        3.508   0.753  -0.562  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1        3.770   0.737   0.809  0.00  0.00    +0.128 A 
ATOM      6  C   LIG    1        2.762   0.403   1.713  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1        1.496   0.046   1.245  0.00  0.00    +0.009 A 
BRANCH   5   8
ATOM      8  O   LIG    1        4.985   1.110   1.337  0.00  0.00    -0.456 OA
BRANCH   8   9
ATOM      9  C   LIG    1        6.115   0.557   0.777  0.00  0.00    +0.128 A 
ATOM     10  C   LIG    1        7.193   1.415   0.554  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1        8.381   0.915   0.021  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1        8.496  -0.444  -0.274  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1        7.426  -1.305  -0.030  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1        6.236  -0.808   0.504  0.00  0.00    +0.046 A 
ENDBRANCH   8   9
ENDBRANCH   5   8
ENDBRANCH   1   2
BRANCH   1  15
ATOM     15  N   LIG    1       -0.061  -1.442  -1.660  0.00  0.00    -0.300 NA
ATOM     16  C   LIG    1        0.440  -2.677  -1.036  0.00  0.00    +0.105 C 
ATOM     17  C   LIG    1       -1.321  -1.749  -2.337  0.00  0.00    +0.105 C 
ENDBRANCH   1  15
BRANCH   1  19
ATOM     18  C   LIG    1       -0.746   2.202  -0.204  0.00  0.00    +0.030 C 
ATOM     19  C   LIG    1       -0.938   0.973  -1.109  0.00  0.00    +0.090 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -2.389   0.782  -1.323  0.00  0.00    -0.323 N 
ATOM     21  H   LIG    1       -2.735   1.379  -2.065  0.00  0.00    +0.148 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -3.299   0.450  -0.334  0.00  0.00    +0.147 A 
ATOM     23  C   LIG    1       -4.748   0.403  -0.680  0.00  0.00    +0.029 A 
ATOM     24  C   LIG    1       -5.656   0.176   0.347  0.00  0.00    +0.051 A 
ATOM     25  C   LIG    1       -7.033   0.143   0.083  0.00  0.00    +0.014 A 
ATOM     26  C   LIG    1       -7.498   0.322  -1.219  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -6.591   0.524  -2.257  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -5.163  -0.059   1.713  0.00  0.00    +0.275 A 
ATOM     29  O   LIG    1       -5.969  -0.217   2.627  0.00  0.00    -0.266 OA
ATOM     30  N   LIG    1       -3.784  -0.104   1.867  0.00  0.00    -0.230 N 
ATOM     31  C   LIG    1       -3.212  -0.316   3.182  0.00  0.00    +0.176 C 
ATOM     32  C   LIG    1       -5.218   0.561  -1.992  0.00  0.00    +0.012 A 
ATOM     33  N   LIG    1       -2.889   0.187   0.874  0.00  0.00    -0.153 NA
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 7