REMARK  Name = BDB016100
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.651   2.039  -0.082  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1       -0.070   0.941   0.211  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -1.420   1.019   0.203  0.00  0.00    +0.133 A 
ATOM      4  C   LIG    1       -2.061   2.234  -0.061  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -1.225   3.301  -0.345  0.00  0.00    +0.125 A 
ATOM      6  N   LIG    1        0.119   3.235  -0.376  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        4.151   0.531   0.166  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        2.753   0.675   0.168  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        2.124   1.913  -0.085  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        2.958   3.016  -0.343  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        4.349   2.892  -0.347  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.941   1.656  -0.094  0.00  0.00    +0.008 A 
BRANCH   7  17
ATOM     13  C   LIG    1        7.256  -3.347   0.195  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        6.133  -2.473   0.431  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        5.109  -2.903   1.189  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        4.269  -1.863   1.193  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        4.748  -0.766   0.437  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        5.964  -1.205  -0.045  0.00  0.00    +0.116 A 
ENDBRANCH   7  17
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1       -3.494   2.441   0.022  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1       -4.243   3.191  -0.863  0.00  0.00    +0.116 A 
ATOM     21  N   LIG    1       -5.532   3.133  -0.414  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1       -6.689   3.758  -1.008  0.00  0.00    +0.172 C 
ATOM     23  N   LIG    1       -5.678   2.403   0.704  0.00  0.00    -0.179 NA
ATOM     24  C   LIG    1       -4.437   1.986   0.972  0.00  0.00    +0.143 A 
ENDBRANCH   4  19
BRANCH   3  25
ATOM     25  N   LIG    1       -2.135  -0.155   0.465  0.00  0.00    -0.314 N 
ATOM     26  C   LIG    1       -1.389  -1.281   1.045  0.00  0.00    +0.111 C 
ATOM     27  C   LIG    1       -2.242  -2.501   0.685  0.00  0.00    +0.021 C 
ATOM     28  C   LIG    1       -2.684  -2.144  -0.732  0.00  0.00    +0.025 C 
ATOM     29  C   LIG    1       -2.981  -0.647  -0.638  0.00  0.00    +0.107 C 
BRANCH  27  30
ATOM     30  C   LIG    1       -1.460  -3.805   0.800  0.00  0.00    +0.082 C 
BRANCH  30  31
ATOM     31  N   LIG    1       -2.282  -4.957   0.441  0.00  0.00    -0.330 NA
ATOM     32  H   LIG    1       -1.734  -5.810   0.554  0.00  0.00    +0.118 HD
ATOM     33  H   LIG    1       -2.532  -4.913  -0.546  0.00  0.00    +0.118 HD
ENDBRANCH  30  31
ENDBRANCH  27  30
ENDBRANCH   3  25
TORSDOF 6