REMARK  Name = BDB016035
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.398   0.223   0.112  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1       -0.773  -0.426  -0.020  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -1.914   0.274   0.139  0.00  0.00    +0.131 A 
ATOM      4  C   LIG    1       -1.907   1.631   0.460  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -0.651   2.200   0.574  0.00  0.00    +0.125 A 
ATOM      6  N   LIG    1        0.506   1.531   0.400  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        4.102  -0.672  -0.143  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        2.911   0.052   0.032  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        1.641  -0.554  -0.073  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        1.608  -1.930  -0.364  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        2.782  -2.666  -0.539  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.022  -2.039  -0.429  0.00  0.00    +0.008 A 
BRANCH   7  17
ATOM     13  C   LIG    1        8.888   0.545  -0.692  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        7.506   0.521  -0.280  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        7.052   1.464   0.563  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        5.764   1.146   0.719  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        5.387  -0.002  -0.018  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        6.551  -0.378  -0.658  0.00  0.00    +0.116 A 
ENDBRANCH   7  17
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1       -3.104   2.416   0.690  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1       -3.301   3.709   0.248  0.00  0.00    +0.116 A 
ATOM     21  N   LIG    1       -4.551   4.069   0.667  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1       -5.212   5.332   0.447  0.00  0.00    +0.172 C 
ATOM     23  N   LIG    1       -5.185   3.099   1.349  0.00  0.00    -0.179 NA
ATOM     24  C   LIG    1       -4.302   2.099   1.371  0.00  0.00    +0.143 A 
ENDBRANCH   4  19
BRANCH   3  25
ATOM     25  N   LIG    1       -3.142  -0.424  -0.002  0.00  0.00    -0.326 N 
ATOM     26  H   LIG    1       -3.746   0.122  -0.614  0.00  0.00    +0.148 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -3.192  -1.820  -0.343  0.00  0.00    +0.075 C 
ATOM     28  C   LIG    1       -4.627  -2.389  -0.222  0.00  0.00    +0.040 C 
ATOM     29  C   LIG    1       -4.038  -3.606   0.520  0.00  0.00    +0.054 C 
ATOM     30  C   LIG    1       -2.788  -2.756   0.823  0.00  0.00    +0.040 C 
BRANCH  29  31
ATOM     31  N   LIG    1       -3.690  -4.634  -0.462  0.00  0.00    -0.327 NA
ATOM     32  H   LIG    1       -4.499  -5.127  -0.838  0.00  0.00    +0.118 HD
ATOM     33  H   LIG    1       -3.075  -5.358  -0.089  0.00  0.00    +0.118 HD
ENDBRANCH  29  31
ENDBRANCH  25  27
ENDBRANCH   3  25
TORSDOF 6