REMARK  Name = BDB016163
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.165   0.063   1.365  0.00  0.00    +0.036 A 
ATOM      2  C   LIG    1       -1.848  -0.813   0.299  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -0.524  -1.249   0.131  0.00  0.00    +0.020 A 
ATOM      4  C   LIG    1        0.490  -0.855   1.017  0.00  0.00    -0.015 A 
ATOM      5  C   LIG    1        0.150  -0.056   2.114  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1       -1.159   0.393   2.286  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        1.893  -1.236   0.768  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1        2.848  -0.301   0.237  0.00  0.00    +0.057 A 
ATOM      9  N   LIG    1        2.399   1.003   0.001  0.00  0.00    -0.339 N 
ATOM     10  H   LIG    1        1.385   1.072  -0.100  0.00  0.00    +0.146 HD
ATOM     11  C   LIG    1        3.069   1.967  -0.851  0.00  0.00    +0.076 C 
ATOM     12  C   LIG    1        4.420   2.331  -0.289  0.00  0.00    +0.118 C 
ATOM     13  C   LIG    1        5.478   1.325  -0.592  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1        5.287   0.004  -0.364  0.00  0.00    -0.284 N 
ATOM     15  H   LIG    1        6.145  -0.506  -0.532  0.00  0.00    +0.155 HD
ATOM     16  O   LIG    1        6.585   1.688  -1.002  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1        3.043   1.557  -2.321  0.00  0.00    +0.028 C 
ATOM     18  C   LIG    1        4.179  -0.749   0.074  0.00  0.00    +0.055 A 
ATOM     19  C   LIG    1        4.502  -2.096   0.346  0.00  0.00    +0.025 A 
ATOM     20  C   LIG    1        3.557  -2.998   0.823  0.00  0.00    +0.003 A 
ATOM     21  C   LIG    1        2.261  -2.565   1.043  0.00  0.00    +0.010 A 
ENDBRANCH   4   7
BRANCH   2  22
ATOM     22  C   LIG    1       -2.883  -1.240  -0.691  0.00  0.00    +0.044 C 
ATOM     23  N   LIG    1       -4.022  -0.626  -0.814  0.00  0.00    -0.303 NA
ATOM     24  H   LIG    1       -4.577  -1.071  -1.555  0.00  0.00    +0.186 HD
BRANCH  22  25
ATOM     25  C   LIG    1       -2.629  -2.395  -1.596  0.00  0.00    +0.038 C 
ATOM     26  C   LIG    1       -3.675  -3.477  -1.766  0.00  0.00    +0.010 C 
ATOM     27  C   LIG    1       -2.408  -3.778  -1.027  0.00  0.00    +0.010 C 
ENDBRANCH  22  25
ENDBRANCH   2  22
BRANCH   1  28
ATOM     28  N   LIG    1       -3.453   0.632   1.512  0.00  0.00    -0.340 N 
ATOM     29  H   LIG    1       -4.058   0.223   0.776  0.00  0.00    +0.146 HD
BRANCH  28  31
ATOM     30  C   LIG    1       -4.896   2.510   1.990  0.00  0.00    +0.029 C 
ATOM     31  C   LIG    1       -3.510   2.109   1.469  0.00  0.00    +0.081 C 
BRANCH  31  32
ATOM     32  C   LIG    1       -3.312   2.676   0.049  0.00  0.00    +0.140 C 
BRANCH  32  33
ATOM     33  C   LIG    1       -1.901   2.678  -0.367  0.00  0.00    +0.064 C 
ATOM     34  N   LIG    1       -0.791   2.698  -0.710  0.00  0.00    -0.197 NA
ENDBRANCH  32  33
ENDBRANCH  31  32
ENDBRANCH  28  31
ENDBRANCH   1  28
TORSDOF 7