REMARK  Name = BDB031056
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.058  -1.522  -0.789  0.00  0.00    +0.091 A 
ATOM      2  N   LIG    1       -1.279  -1.210  -0.299  0.00  0.00    -0.231 NA
ATOM      3  C   LIG    1       -2.253  -0.883  -1.168  0.00  0.00    +0.120 A 
ATOM      4  C   LIG    1       -2.031  -0.887  -2.543  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -0.772  -1.220  -3.037  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1        0.238  -1.546  -2.144  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   1  14
ATOM      7  C   LIG    1        3.961   0.268   0.109  0.00  0.00    -0.000 A 
ATOM      8  C   LIG    1        2.731  -0.166  -0.242  0.00  0.00    +0.099 A 
ATOM      9  N   LIG    1        2.142  -1.248   0.422  0.00  0.00    -0.298 N 
ATOM     10  C   LIG    1        2.755  -1.910   1.482  0.00  0.00    +0.138 A 
ATOM     11  N   LIG    1        1.986  -2.850   1.984  0.00  0.00    -0.235 NA
ATOM     12  C   LIG    1        0.840  -2.809   1.234  0.00  0.00    +0.141 A 
ATOM     13  C   LIG    1        4.054  -1.476   1.856  0.00  0.00    +0.047 A 
ATOM     14  C   LIG    1        0.916  -1.862   0.229  0.00  0.00    +0.091 A 
ATOM     15  C   LIG    1        4.630  -0.447   1.207  0.00  0.00    +0.011 A 
BRANCH   7  17
ATOM     16  C   LIG    1        3.820   2.351  -1.403  0.00  0.00    +0.046 C 
ATOM     17  C   LIG    1        4.699   1.445  -0.527  0.00  0.00    +0.087 C 
ATOM     18  C   LIG    1        5.894   0.958  -1.355  0.00  0.00    +0.046 C 
BRANCH  17  19
ATOM     19  O   LIG    1        5.215   2.277   0.520  0.00  0.00    -0.384 OA
ATOM     20  H   LIG    1        4.474   2.479   1.118  0.00  0.00    +0.211 HD
ENDBRANCH  17  19
ENDBRANCH   7  17
ENDBRANCH   1  14
BRANCH   3  21
ATOM     21  N   LIG    1       -3.538  -0.583  -0.706  0.00  0.00    -0.319 N 
ATOM     22  H   LIG    1       -3.893   0.257  -1.148  0.00  0.00    +0.148 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -3.733  -0.584   0.769  0.00  0.00    +0.155 C 
ATOM     24  C   LIG    1       -5.232  -0.657   1.161  0.00  0.00    +0.269 C 
ATOM     25  F   LIG    1       -5.390  -1.520   2.206  0.00  0.00    -0.204 F 
ATOM     26  F   LIG    1       -5.965  -1.190   0.141  0.00  0.00    -0.204 F 
ATOM     27  C   LIG    1       -5.857   0.672   1.559  0.00  0.00    +0.092 C 
ATOM     28  C   LIG    1       -5.247   1.803   0.751  0.00  0.00    +0.087 C 
ATOM     29  N   LIG    1       -3.808   1.936   0.980  0.00  0.00    -0.314 NA
ATOM     30  H   LIG    1       -3.348   2.316   0.153  0.00  0.00    +0.122 HD
ATOM     31  C   LIG    1       -3.143   0.691   1.407  0.00  0.00    +0.109 C 
ENDBRANCH  21  23
ENDBRANCH   3  21
TORSDOF 5