REMARK  Name = BDB016059
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.392  -0.154  -0.004  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1       -0.830  -0.707   0.133  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -1.912   0.090   0.075  0.00  0.00    +0.131 A 
ATOM      4  C   LIG    1       -1.782   1.472  -0.097  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -0.486   1.938  -0.225  0.00  0.00    +0.125 A 
ATOM      6  N   LIG    1        0.610   1.159  -0.190  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        4.008  -1.387  -0.046  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        2.880  -0.550  -0.093  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        1.567  -1.050   0.049  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        1.427  -2.437   0.239  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        2.536  -3.283   0.285  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        3.820  -2.760   0.142  0.00  0.00    +0.008 A 
BRANCH   7  17
ATOM     13  C   LIG    1        7.938   1.648   0.077  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        7.077   0.509  -0.128  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        7.585  -0.618  -0.655  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        6.535  -1.443  -0.695  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        5.350  -0.850  -0.197  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        5.747   0.422   0.166  0.00  0.00    +0.116 A 
ENDBRANCH   7  17
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1       -2.903   2.394  -0.122  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1       -3.030   3.466  -0.982  0.00  0.00    +0.116 A 
ATOM     21  N   LIG    1       -4.223   4.059  -0.677  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1       -4.802   5.221  -1.306  0.00  0.00    +0.172 C 
ATOM     23  N   LIG    1       -4.885   3.449   0.320  0.00  0.00    -0.179 NA
ATOM     24  C   LIG    1       -4.078   2.441   0.663  0.00  0.00    +0.143 A 
ENDBRANCH   4  19
BRANCH   3  25
ATOM     25  N   LIG    1       -3.189  -0.474   0.213  0.00  0.00    -0.324 N 
ATOM     26  H   LIG    1       -3.783  -0.110  -0.530  0.00  0.00    +0.148 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -3.418  -1.913   0.430  0.00  0.00    +0.025 C 
ATOM     28  C   LIG    1       -4.949  -2.081   0.565  0.00  0.00    +0.031 C 
ATOM     29  C   LIG    1       -2.786  -2.401   1.741  0.00  0.00    +0.031 C 
ATOM     30  C   LIG    1       -2.957  -2.750  -0.770  0.00  0.00    +0.031 C 
ENDBRANCH  25  27
ENDBRANCH   3  25
TORSDOF 5