REMARK  Name = BDB023956
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.249   4.973   0.363  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -3.951   4.392   0.862  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -3.617   3.113   0.438  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -2.294   2.615   0.866  0.00  0.00    +0.146 C 
ATOM      5  C   LIG    1       -2.223   1.137   0.712  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1       -1.218   0.210   1.094  0.00  0.00    +0.098 A 
ATOM      7  N   LIG    1       -1.557  -1.038   0.730  0.00  0.00    -0.170 NA
ATOM      8  N   LIG    1       -2.765  -0.917   0.143  0.00  0.00    -0.264 N 
ATOM      9  C   LIG    1       -3.186   0.376   0.085  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -4.432   0.919  -0.504  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -4.256   2.439  -0.715  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -3.237   5.044   1.625  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        0.042   0.482   1.780  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        1.300   0.214   1.171  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1        2.480   0.522   1.873  0.00  0.00    -0.013 A 
ATOM     16  C   LIG    1        3.724   0.273   1.271  0.00  0.00    +0.052 A 
ATOM     17  C   LIG    1        3.808  -0.262  -0.015  0.00  0.00    +0.122 A 
ATOM     18  N   LIG    1        2.686  -0.577  -0.691  0.00  0.00    -0.240 NA
ATOM     19  C   LIG    1        2.398   1.073   3.163  0.00  0.00    +0.009 A 
ATOM     20  C   LIG    1        1.164   1.327   3.757  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        1.486  -0.339  -0.102  0.00  0.00    +0.122 A 
ATOM     22  C   LIG    1       -0.010   1.034   3.069  0.00  0.00    +0.011 A 
BRANCH  17  23
ATOM     23  N   LIG    1        5.049  -0.514  -0.604  0.00  0.00    -0.315 N 
ATOM     24  C   LIG    1        6.098   0.499  -0.454  0.00  0.00    +0.106 C 
ATOM     25  C   LIG    1        6.805   0.781  -1.778  0.00  0.00    +0.019 C 
ATOM     26  C   LIG    1        7.349  -0.488  -2.427  0.00  0.00    +0.003 C 
ATOM     27  C   LIG    1        6.426  -1.692  -2.240  0.00  0.00    +0.019 C 
ATOM     28  C   LIG    1        5.007  -1.278  -1.854  0.00  0.00    +0.106 C 
ENDBRANCH  17  23
ENDBRANCH   6  13
BRANCH   8  29
ATOM     29  C   LIG    1       -3.439  -2.104  -0.365  0.00  0.00    +0.112 C 
ATOM     30  C   LIG    1       -3.527  -3.221   0.676  0.00  0.00    +0.055 C 
ATOM     31  C   LIG    1       -4.300  -4.410   0.114  0.00  0.00    +0.162 C 
ATOM     32  O   LIG    1       -4.277  -4.465  -1.315  0.00  0.00    -0.380 OA
ATOM     33  C   LIG    1       -3.009  -4.102  -1.851  0.00  0.00    +0.162 C 
ATOM     34  C   LIG    1       -2.784  -2.608  -1.659  0.00  0.00    +0.055 C 
ENDBRANCH   8  29
TORSDOF 3