REMARK  Name = BDB015752
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.182   0.447   0.102  0.00  0.00    +0.126 A 
ATOM      2  N   LIG    1       -0.963  -0.633  -0.012  0.00  0.00    -0.180 NA
ATOM      3  C   LIG    1       -2.228  -0.528   0.428  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -2.760   0.553   1.009  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1       -1.958   1.628   1.113  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1       -0.654   1.621   0.653  0.00  0.00    +0.072 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -2.582   2.835   1.714  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -1.881   3.621   2.554  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -2.429   4.752   3.143  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -1.596   5.544   4.034  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -3.747   5.146   2.921  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -4.281   6.137   3.410  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -4.535   4.270   2.018  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -3.972   3.189   1.465  0.00  0.00    +0.017 A 
ENDBRANCH   5   7
BRANCH   1  15
ATOM     15  N   LIG    1        1.128   0.428  -0.398  0.00  0.00    -0.325 N 
ATOM     16  H   LIG    1        1.785   0.776   0.293  0.00  0.00    +0.148 HD
BRANCH  15  17
ATOM     17  C   LIG    1        1.557  -0.857  -0.941  0.00  0.00    +0.138 C 
BRANCH  17  21
ATOM     18  C   LIG    1        5.003   0.549  -4.316  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1        4.680  -0.034  -2.973  0.00  0.00    -0.050 A 
ATOM     20  C   LIG    1        3.349  -0.179  -2.564  0.00  0.00    +0.008 A 
ATOM     21  C   LIG    1        3.021  -0.757  -1.323  0.00  0.00    -0.027 A 
ATOM     22  C   LIG    1        4.059  -1.182  -0.467  0.00  0.00    -0.046 A 
ATOM     23  C   LIG    1        3.782  -1.794   0.879  0.00  0.00    +0.044 C 
ATOM     24  C   LIG    1        5.390  -1.055  -0.894  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        5.697  -0.493  -2.135  0.00  0.00    +0.003 A 
ENDBRANCH  17  21
ENDBRANCH  15  17
ENDBRANCH   1  15
BRANCH   3  26
ATOM     26  O   LIG    1       -3.069  -1.633   0.366  0.00  0.00    -0.420 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -2.684  -2.630  -0.498  0.00  0.00    +0.170 A 
ATOM     28  C   LIG    1       -2.749  -2.430  -1.880  0.00  0.00    +0.166 A 
ATOM     29  F   LIG    1       -3.172  -1.258  -2.376  0.00  0.00    -0.202 F 
ATOM     30  C   LIG    1       -2.387  -3.442  -2.761  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1       -1.967  -4.673  -2.259  0.00  0.00    +0.003 A 
ATOM     32  C   LIG    1       -1.921  -4.888  -0.877  0.00  0.00    +0.007 A 
ATOM     33  C   LIG    1       -2.290  -3.873   0.019  0.00  0.00    -0.005 A 
ATOM     34  C   LIG    1       -2.232  -4.109   1.500  0.00  0.00    +0.047 C 
ENDBRANCH  26  27
ENDBRANCH   3  26
TORSDOF 6