REMARK  Name = BDB014955
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.309  -4.543   0.778  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -4.892  -3.183   0.487  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -3.997  -2.152   0.223  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -2.575  -2.407  -0.077  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -1.773  -1.158   0.019  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -0.374  -0.938  -0.076  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -0.098   0.363   0.062  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -1.284   0.971   0.259  0.00  0.00    -0.261 N 
ATOM      9  C   LIG    1       -2.323   0.091   0.222  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1       -3.777   0.349   0.385  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -4.557  -0.849  -0.192  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -6.113  -3.022   0.501  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   8  13
ATOM     13  C   LIG    1       -1.288   2.411   0.448  0.00  0.00    +0.135 C 
ATOM     14  C   LIG    1       -2.067   2.874   1.672  0.00  0.00    +0.186 C 
ATOM     15  O   LIG    1       -3.195   3.617   1.184  0.00  0.00    -0.378 OA
ATOM     16  C   LIG    1       -2.789   4.197  -0.059  0.00  0.00    +0.162 C 
ATOM     17  C   LIG    1       -1.902   3.167  -0.722  0.00  0.00    +0.057 C 
ENDBRANCH   8  13
BRANCH   6  18
ATOM     18  N   LIG    1        0.503  -1.950  -0.296  0.00  0.00    -0.298 N 
ATOM     19  H   LIG    1        0.119  -2.877  -0.423  0.00  0.00    +0.154 HD
BRANCH  18  20
ATOM     20  C   LIG    1        1.917  -1.966  -0.367  0.00  0.00    +0.036 A 
ATOM     21  C   LIG    1        2.726  -0.850  -0.097  0.00  0.00    +0.035 A 
ATOM     22  C   LIG    1        4.132  -0.896  -0.199  0.00  0.00    +0.025 A 
ATOM     23  C   LIG    1        4.724  -2.103  -0.578  0.00  0.00    +0.166 A 
ATOM     24  F   LIG    1        6.057  -2.213  -0.697  0.00  0.00    -0.202 F 
ATOM     25  C   LIG    1        3.938  -3.215  -0.852  0.00  0.00    +0.161 A 
ATOM     26  F   LIG    1        4.513  -4.368  -1.221  0.00  0.00    -0.202 F 
ATOM     27  C   LIG    1        2.552  -3.155  -0.753  0.00  0.00    +0.064 A 
BRANCH  22  28
ATOM     28  C   LIG    1        4.943   0.278   0.091  0.00  0.00    +0.022 A 
ATOM     29  C   LIG    1        4.505   1.587   0.032  0.00  0.00    +0.116 A 
ATOM     30  N   LIG    1        5.572   2.369   0.365  0.00  0.00    -0.274 N 
ATOM     31  C   LIG    1        5.606   3.809   0.441  0.00  0.00    +0.172 C 
ATOM     32  N   LIG    1        6.685   1.668   0.639  0.00  0.00    -0.179 NA
ATOM     33  C   LIG    1        6.304   0.399   0.465  0.00  0.00    +0.143 A 
ENDBRANCH  22  28
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 4