REMARK  Name = BDB023914
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.733  -4.153   1.096  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -3.427  -3.460   1.385  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -3.337  -2.110   1.067  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -2.073  -1.446   1.433  0.00  0.00    +0.146 C 
ATOM      5  C   LIG    1       -1.948  -0.139   0.737  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1       -0.856   0.742   0.632  0.00  0.00    +0.100 A 
ATOM      7  N   LIG    1       -1.143   1.800  -0.132  0.00  0.00    -0.170 NA
ATOM      8  N   LIG    1       -2.430   1.618  -0.513  0.00  0.00    -0.262 N 
ATOM      9  C   LIG    1       -2.953   0.461  -0.003  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -4.291  -0.153  -0.202  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -4.516  -1.244   0.867  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -2.490  -4.090   1.876  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        0.460   0.535   1.237  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        1.678   0.497   0.493  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1        2.704   0.257   1.405  0.00  0.00    +0.048 A 
ATOM     16  C   LIG    1        4.049   0.142   1.024  0.00  0.00    +0.034 A 
ATOM     17  C   LIG    1        4.370   0.276  -0.338  0.00  0.00    -0.013 A 
ATOM     18  C   LIG    1        3.354   0.522  -1.268  0.00  0.00    +0.009 A 
ATOM     19  N   LIG    1        2.128   0.176   2.652  0.00  0.00    -0.358 N 
ATOM     20  H   LIG    1        2.644   0.022   3.506  0.00  0.00    +0.166 HD
ATOM     21  C   LIG    1        2.014   0.630  -0.870  0.00  0.00    +0.011 A 
ATOM     22  C   LIG    1        0.766   0.356   2.575  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1       -0.073   0.357   3.798  0.00  0.00    +0.064 C 
BRANCH  17  24
ATOM     24  C   LIG    1        5.750   0.174  -0.786  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        6.717  -0.627  -0.215  0.00  0.00    +0.116 A 
ATOM     26  N   LIG    1        7.853  -0.440  -0.949  0.00  0.00    -0.274 N 
ATOM     27  C   LIG    1        9.134  -1.070  -0.742  0.00  0.00    +0.172 C 
ATOM     28  N   LIG    1        7.700   0.429  -1.963  0.00  0.00    -0.179 NA
ATOM     29  C   LIG    1        6.420   0.799  -1.864  0.00  0.00    +0.142 A 
ENDBRANCH  17  24
ENDBRANCH   6  13
BRANCH   8  30
ATOM     30  C   LIG    1       -2.976   2.626  -1.408  0.00  0.00    +0.135 C 
ATOM     31  C   LIG    1       -4.444   2.959  -1.240  0.00  0.00    +0.186 C 
ATOM     32  O   LIG    1       -5.174   2.167  -2.191  0.00  0.00    -0.378 OA
ATOM     33  C   LIG    1       -4.257   1.670  -3.175  0.00  0.00    +0.162 C 
ATOM     34  C   LIG    1       -2.887   2.235  -2.868  0.00  0.00    +0.057 C 
ENDBRANCH   8  30
TORSDOF 3