REMARK  Name = BDB015951
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.157   1.716  -0.429  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1       -0.579   0.604  -0.220  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -1.907   0.741  -0.039  0.00  0.00    +0.131 A 
ATOM      4  C   LIG    1       -2.519   1.997  -0.084  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -1.674   3.066  -0.321  0.00  0.00    +0.125 A 
ATOM      6  N   LIG    1       -0.344   2.960  -0.494  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        3.666   0.252  -0.193  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        2.282   0.434  -0.049  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        1.615   1.556  -0.578  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        2.395   2.516  -1.246  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        3.775   2.353  -1.393  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.406   1.224  -0.873  0.00  0.00    +0.008 A 
BRANCH   7  17
ATOM     13  C   LIG    1        6.694  -3.624   0.495  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        5.645  -2.645   0.644  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        4.777  -2.755   1.666  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        3.963  -1.710   1.496  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        4.300  -0.930   0.365  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        5.400  -1.572  -0.164  0.00  0.00    +0.116 A 
ENDBRANCH   7  17
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1       -3.947   2.207   0.069  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1       -4.525   3.236   0.787  0.00  0.00    +0.116 A 
ATOM     21  N   LIG    1       -5.875   3.062   0.682  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1       -6.907   3.886   1.264  0.00  0.00    +0.172 C 
ATOM     23  N   LIG    1       -6.221   1.990  -0.051  0.00  0.00    -0.179 NA
ATOM     24  C   LIG    1       -5.049   1.475  -0.432  0.00  0.00    +0.143 A 
ENDBRANCH   4  19
BRANCH   3  25
ATOM     25  N   LIG    1       -2.680  -0.403   0.171  0.00  0.00    -0.322 N 
ATOM     26  H   LIG    1       -3.290  -0.279   0.976  0.00  0.00    +0.148 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -2.128  -1.761   0.094  0.00  0.00    +0.115 C 
ATOM     28  C   LIG    1       -1.492  -2.138  -1.260  0.00  0.00    +0.150 C 
ATOM     29  C   LIG    1       -0.111  -2.691  -0.889  0.00  0.00    +0.114 C 
ATOM     30  N   LIG    1       -0.262  -3.163   0.498  0.00  0.00    -0.312 NA
ATOM     31  H   LIG    1        0.653  -3.238   0.943  0.00  0.00    +0.122 HD
ATOM     32  C   LIG    1       -1.067  -2.114   1.143  0.00  0.00    +0.105 C 
BRANCH  28  33
ATOM     33  O   LIG    1       -2.266  -3.167  -1.901  0.00  0.00    -0.389 OA
ATOM     34  H   LIG    1       -2.171  -3.962  -1.343  0.00  0.00    +0.210 HD
ENDBRANCH  28  33
ENDBRANCH  25  27
ENDBRANCH   3  25
TORSDOF 6