REMARK  Name = BDB016206
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.079   0.445  -1.683  0.00  0.00    +0.005 A 
ATOM      2  C   LIG    1        2.023   0.550  -0.600  0.00  0.00    +0.058 A 
ATOM      3  N   LIG    1        1.652  -0.080   0.606  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1        1.035  -0.872   0.420  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1        2.639  -0.396   1.625  0.00  0.00    +0.076 C 
ATOM      6  C   LIG    1        3.051   0.890   2.300  0.00  0.00    +0.118 C 
ATOM      7  C   LIG    1        4.194   1.487   1.554  0.00  0.00    +0.219 C 
ATOM      8  N   LIG    1        4.161   1.643   0.207  0.00  0.00    -0.283 N 
ATOM      9  H   LIG    1        5.000   2.138  -0.081  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1        5.188   1.897   2.161  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1        1.986  -1.336   2.644  0.00  0.00    +0.028 C 
ATOM     12  C   LIG    1        3.194   1.336  -0.791  0.00  0.00    +0.073 A 
ATOM     13  C   LIG    1        3.449   1.873  -2.085  0.00  0.00    +0.075 A 
ATOM     14  C   LIG    1        2.548   1.705  -3.139  0.00  0.00    +0.021 A 
ATOM     15  C   LIG    1        1.366   1.014  -2.934  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1  19
ATOM     16  C   LIG    1       -2.713  -1.575  -1.238  0.00  0.00    +0.036 A 
ATOM     17  C   LIG    1       -2.444  -0.393  -0.507  0.00  0.00    +0.017 A 
ATOM     18  C   LIG    1       -1.210   0.259  -0.680  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1       -0.220  -0.250  -1.537  0.00  0.00    -0.015 A 
ATOM     20  C   LIG    1       -0.495  -1.423  -2.248  0.00  0.00    +0.010 A 
ATOM     21  C   LIG    1       -1.725  -2.069  -2.105  0.00  0.00    +0.024 A 
BRANCH  16  23
ATOM     22  C   LIG    1       -3.860  -3.618  -0.660  0.00  0.00    +0.125 C 
ATOM     23  N   LIG    1       -3.954  -2.252  -1.154  0.00  0.00    -0.346 N 
ATOM     24  H   LIG    1       -4.566  -1.692  -0.531  0.00  0.00    +0.146 HD
ENDBRANCH  16  23
BRANCH  17  25
ATOM     25  C   LIG    1       -3.434   0.166   0.468  0.00  0.00    +0.044 C 
ATOM     26  N   LIG    1       -4.644  -0.292   0.567  0.00  0.00    -0.303 NA
ATOM     27  H   LIG    1       -5.170   0.240   1.270  0.00  0.00    +0.186 HD
BRANCH  25  28
ATOM     28  C   LIG    1       -3.057   1.295   1.366  0.00  0.00    +0.038 C 
ATOM     29  C   LIG    1       -2.000   1.104   2.432  0.00  0.00    +0.010 C 
ATOM     30  C   LIG    1       -3.432   1.272   2.833  0.00  0.00    +0.010 C 
ENDBRANCH  25  28
ENDBRANCH  17  25
ENDBRANCH   1  19
BRANCH  13  31
ATOM     31  C   LIG    1        4.634   2.633  -2.372  0.00  0.00    +0.101 C 
ATOM     32  N   LIG    1        5.601   3.240  -2.582  0.00  0.00    -0.191 NA
ENDBRANCH  13  31
TORSDOF 5