REMARK  Name = BDB039590
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.648   1.074   0.891  0.00  0.00    -0.324 N 
ATOM      2  C   LIG    1       -1.496   0.598   2.279  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1       -0.005   0.537   2.692  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1        0.683   1.831   2.587  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1        0.213   2.631   1.445  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1       -0.512   1.833   0.334  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1       -4.705  -0.353  -1.570  0.00  0.00    +0.129 A 
ATOM      8  N   LIG    1       -3.566   0.061  -2.160  0.00  0.00    -0.213 NA
ATOM      9  C   LIG    1       -2.590   0.513  -1.339  0.00  0.00    +0.235 A 
ATOM     10  F   LIG    1       -1.463   0.897  -1.962  0.00  0.00    -0.182 F 
ATOM     11  C   LIG    1       -2.659   0.587   0.070  0.00  0.00    +0.085 A 
ATOM     12  C   LIG    1       -3.873   0.145   0.615  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1       -4.905  -0.331  -0.197  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1       -8.162  -0.749  -3.060  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1       -7.072  -0.441  -2.168  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1       -7.181   0.353  -1.551  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1       -5.784  -0.854  -2.481  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1       -5.523  -1.570  -3.440  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1        2.135   1.774   2.760  0.00  0.00    +0.119 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.923   1.038   1.693  0.00  0.00    -0.031 A 
ATOM     21  C   LIG    1        3.196  -0.336   1.832  0.00  0.00    +0.032 A 
ATOM     22  C   LIG    1        3.915  -1.011   0.848  0.00  0.00    +0.068 A 
ATOM     23  N   LIG    1        4.181  -2.384   0.985  0.00  0.00    -0.319 N 
ATOM     24  H   LIG    1        3.853  -2.895   1.795  0.00  0.00    +0.169 HD
ATOM     25  C   LIG    1        4.885  -3.128   0.059  0.00  0.00    +0.278 A 
ATOM     26  C   LIG    1        5.341  -2.397  -1.079  0.00  0.00    +0.167 A 
ATOM     27  N   LIG    1        5.090  -1.058  -1.225  0.00  0.00    -0.223 N 
ATOM     28  N   LIG    1        5.607  -0.533  -2.364  0.00  0.00    -0.171 NA
ATOM     29  C   LIG    1        6.192  -1.583  -2.954  0.00  0.00    +0.174 A 
ATOM     30  C   LIG    1        6.052  -2.747  -2.193  0.00  0.00    +0.174 A 
ATOM     31  F   LIG    1        6.522  -3.958  -2.498  0.00  0.00    -0.201 F 
ATOM     32  O   LIG    1        5.080  -4.324   0.250  0.00  0.00    -0.265 OA
ATOM     33  C   LIG    1        4.372  -0.314  -0.275  0.00  0.00    +0.090 A 
ATOM     34  C   LIG    1        4.126   1.048  -0.430  0.00  0.00    +0.030 A 
ATOM     35  C   LIG    1        3.404   1.719   0.559  0.00  0.00    +0.007 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 4