REMARK  Name = BDB045788
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.308   0.190  -3.152  0.00  0.00    +0.058 A 
ATOM      2  C   LIG    1        1.057   0.850  -3.229  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1        0.671   1.401  -4.458  0.00  0.00    +0.024 A 
ATOM      4  C   LIG    1        1.510   1.335  -5.574  0.00  0.00    +0.002 A 
ATOM      5  C   LIG    1        2.755   0.723  -5.482  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        3.156   0.155  -4.274  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1        3.591  -1.552  -1.997  0.00  0.00    -0.311 N 
ATOM      8  H   LIG    1        3.782  -1.943  -2.910  0.00  0.00    +0.149 HD
ATOM      9  C   LIG    1        2.743  -0.469  -1.880  0.00  0.00    +0.246 C 
ATOM     10  O   LIG    1        2.311  -0.080  -0.799  0.00  0.00    -0.270 OA
BRANCH   7  11
ATOM     11  C   LIG    1        4.082  -2.278  -0.842  0.00  0.00    +0.105 C 
BRANCH  11  12
ATOM     12  C   LIG    1        3.289  -3.558  -0.575  0.00  0.00    +0.030 C 
BRANCH  12  13
ATOM     13  C   LIG    1        1.848  -3.332  -0.113  0.00  0.00    +0.122 C 
BRANCH  13  15
ATOM     14  O   LIG    1        0.675  -2.093   1.609  0.00  0.00    -0.251 OA
ATOM     15  C   LIG    1        1.695  -2.634   1.213  0.00  0.00    +0.305 C 
BRANCH  15  16
ATOM     16  O   LIG    1        2.769  -2.720   2.017  0.00  0.00    -0.481 OA
ATOM     17  H   LIG    1        2.495  -2.226   2.819  0.00  0.00    +0.295 HD
ENDBRANCH  15  16
ENDBRANCH  13  15
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   7  11
ENDBRANCH   1   9
BRANCH   2  18
ATOM     18  N   LIG    1        0.242   0.939  -2.071  0.00  0.00    -0.281 N 
ATOM     19  H   LIG    1        0.695   0.601  -1.219  0.00  0.00    +0.155 HD
ATOM     20  C   LIG    1       -0.997   1.535  -1.934  0.00  0.00    +0.248 C 
ATOM     21  O   LIG    1       -1.631   2.106  -2.815  0.00  0.00    -0.270 OA
BRANCH  20  22
ATOM     22  C   LIG    1       -1.586   1.483  -0.563  0.00  0.00    +0.037 A 
ATOM     23  C   LIG    1       -2.464   2.502  -0.177  0.00  0.00    +0.013 A 
ATOM     24  C   LIG    1       -3.044   2.494   1.097  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1       -2.769   1.464   2.012  0.00  0.00    -0.018 A 
ATOM     26  C   LIG    1       -1.898   0.440   1.605  0.00  0.00    +0.009 A 
ATOM     27  C   LIG    1       -1.316   0.443   0.331  0.00  0.00    +0.013 A 
BRANCH  25  28
ATOM     28  C   LIG    1       -3.377   1.456   3.353  0.00  0.00    -0.018 A 
ATOM     29  C   LIG    1       -2.587   1.315   4.506  0.00  0.00    +0.008 A 
ATOM     30  C   LIG    1       -3.163   1.309   5.779  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -4.541   1.442   5.922  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -5.344   1.582   4.793  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1       -4.766   1.589   3.520  0.00  0.00    +0.008 A 
ENDBRANCH  25  28
ENDBRANCH  20  22
ENDBRANCH   2  18
TORSDOF 9