REMARK  Name = BDB026351
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.155   0.117   1.131  0.00  0.00    -0.324 N 
ATOM      2  C   LIG    1       -1.672  -0.504   2.384  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1       -0.135  -0.367   2.509  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1        0.305   1.036   2.417  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1       -0.161   1.620   1.147  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1       -1.698   1.523   0.986  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1       -6.086  -0.521  -0.152  0.00  0.00    +0.129 A 
ATOM      8  N   LIG    1       -5.210   0.024  -1.030  0.00  0.00    -0.213 NA
ATOM      9  C   LIG    1       -3.950   0.206  -0.567  0.00  0.00    +0.235 A 
ATOM     10  F   LIG    1       -3.080   0.699  -1.465  0.00  0.00    -0.182 F 
ATOM     11  C   LIG    1       -3.486  -0.103   0.734  0.00  0.00    +0.085 A 
ATOM     12  C   LIG    1       -4.445  -0.678   1.579  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1       -5.755  -0.887   1.143  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1       -8.925  -0.537  -2.648  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1       -7.691  -0.304  -1.948  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1       -6.866   0.012  -2.454  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1       -7.483  -0.731  -0.654  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1       -8.342  -1.249   0.049  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1        1.736   1.230   2.675  0.00  0.00    +0.119 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.709   0.560   1.727  0.00  0.00    -0.031 A 
ATOM     21  C   LIG    1        3.151   1.219   0.570  0.00  0.00    +0.032 A 
ATOM     22  C   LIG    1        4.046   0.587  -0.295  0.00  0.00    +0.068 A 
ATOM     23  C   LIG    1        4.524  -0.705  -0.029  0.00  0.00    +0.088 A 
ATOM     24  N   LIG    1        5.426  -1.368  -0.880  0.00  0.00    -0.245 NA
ATOM     25  C   LIG    1        5.815  -0.751  -1.958  0.00  0.00    +0.108 A 
ATOM     26  C   LIG    1        5.362   0.662  -2.320  0.00  0.00    +0.271 A 
ATOM     27  O   LIG    1        5.785   1.213  -3.325  0.00  0.00    -0.266 OA
ATOM     28  C   LIG    1        4.090  -1.355   1.125  0.00  0.00    +0.030 A 
ATOM     29  N   LIG    1        4.481   1.248  -1.448  0.00  0.00    -0.319 N 
ATOM     30  H   LIG    1        4.163   2.180  -1.669  0.00  0.00    +0.169 HD
ATOM     31  C   LIG    1        3.192  -0.730   1.997  0.00  0.00    +0.007 A 
BRANCH  25  32
ATOM     32  C   LIG    1        6.781  -1.419  -2.898  0.00  0.00    +0.094 C 
BRANCH  32  33
ATOM     33  C   LIG    1        8.178  -0.893  -2.661  0.00  0.00    +0.219 C 
ATOM     34  F   LIG    1        9.041  -1.571  -3.466  0.00  0.00    -0.249 F 
ENDBRANCH  32  33
ENDBRANCH  25  32
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 6