REMARK  Name = BDB014744
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.420   2.252   2.572  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -3.971   1.948   2.293  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -3.671   1.291   1.107  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -2.234   1.103   0.825  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -2.034   0.091  -0.247  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -0.852  -0.512  -0.751  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -1.151  -1.375  -1.729  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -2.486  -1.313  -1.868  0.00  0.00    -0.258 N 
ATOM      9  C   LIG    1       -3.061  -0.452  -0.989  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1       -4.496  -0.132  -0.802  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -4.607   1.204  -0.037  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -3.104   2.271   3.107  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1        0.372  -0.217  -0.257  0.00  0.00    -0.296 N 
ATOM     14  H   LIG    1        0.435   0.430   0.526  0.00  0.00    +0.154 HD
BRANCH  13  15
ATOM     15  C   LIG    1        1.671  -0.656  -0.616  0.00  0.00    +0.069 A 
ATOM     16  C   LIG    1        2.765  -0.191   0.143  0.00  0.00    +0.152 A 
ATOM     17  F   LIG    1        2.497   0.660   1.152  0.00  0.00    -0.203 F 
ATOM     18  C   LIG    1        4.088  -0.568  -0.132  0.00  0.00    +0.022 A 
ATOM     19  C   LIG    1        4.316  -1.437  -1.206  0.00  0.00    +0.011 A 
ATOM     20  C   LIG    1        3.249  -1.912  -1.971  0.00  0.00    +0.003 A 
ATOM     21  C   LIG    1        1.939  -1.524  -1.676  0.00  0.00    +0.026 A 
BRANCH  18  22
ATOM     22  C   LIG    1        5.212  -0.081   0.651  0.00  0.00    +0.022 A 
ATOM     23  C   LIG    1        5.180   0.225   1.996  0.00  0.00    +0.116 A 
ATOM     24  N   LIG    1        6.439   0.626   2.333  0.00  0.00    -0.274 N 
ATOM     25  C   LIG    1        6.896   1.056   3.631  0.00  0.00    +0.172 C 
ATOM     26  N   LIG    1        7.305   0.589   1.304  0.00  0.00    -0.179 NA
ATOM     27  C   LIG    1        6.557   0.161   0.284  0.00  0.00    +0.143 A 
ENDBRANCH  18  22
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   8  28
ATOM     28  C   LIG    1       -3.131  -2.189  -2.817  0.00  0.00    +0.256 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -3.321  -1.523  -4.151  0.00  0.00    +0.409 C 
ATOM     30  F   LIG    1       -3.976  -2.365  -4.992  0.00  0.00    -0.169 F 
ATOM     31  F   LIG    1       -2.162  -1.190  -4.753  0.00  0.00    -0.169 F 
ATOM     32  F   LIG    1       -4.081  -0.408  -4.055  0.00  0.00    -0.169 F 
ENDBRANCH  28  29
ENDBRANCH   8  28
TORSDOF 5