REMARK  Name = BDB036183
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.673   0.536  -1.240  0.00  0.00    -0.324 N 
ATOM      2  C   LIG    1        2.187   1.860  -0.788  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1        1.173   1.714   0.365  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -0.051   0.967  -0.016  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1        0.223   0.005  -1.106  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        1.666  -0.551  -1.146  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        6.522  -0.768  -0.281  0.00  0.00    +0.129 A 
ATOM      8  N   LIG    1        5.966   0.156   0.542  0.00  0.00    -0.213 NA
ATOM      9  C   LIG    1        4.719   0.568   0.215  0.00  0.00    +0.235 A 
ATOM     10  F   LIG    1        4.167   1.442   1.073  0.00  0.00    -0.182 F 
ATOM     11  C   LIG    1        3.968   0.118  -0.890  0.00  0.00    +0.085 A 
ATOM     12  C   LIG    1        4.603  -0.839  -1.696  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        5.888  -1.290  -1.398  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1        9.771  -0.865   1.648  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1        8.416  -0.650   1.218  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        7.853   0.081   1.644  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        7.905  -1.224   0.073  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1        8.508  -2.033  -0.622  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1       -0.667   0.363   1.172  0.00  0.00    +0.122 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.116  -0.006   0.964  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -3.100   0.987   0.907  0.00  0.00    +0.133 A 
ATOM     22  F   LIG    1       -2.753   2.272   1.074  0.00  0.00    -0.205 F 
ATOM     23  C   LIG    1       -4.447   0.676   0.698  0.00  0.00    +0.021 A 
ATOM     24  C   LIG    1       -5.478   1.762   0.658  0.00  0.00    +0.121 C 
ATOM     25  C   LIG    1       -6.731   1.310  -0.029  0.00  0.00    +0.184 C 
ATOM     26  C   LIG    1       -7.075  -0.152   0.141  0.00  0.00    +0.118 C 
ATOM     27  N   LIG    1       -6.169  -1.050   0.398  0.00  0.00    -0.245 NA
ATOM     28  O   LIG    1       -7.469   2.049  -0.664  0.00  0.00    -0.290 OA
ATOM     29  C   LIG    1       -4.832  -0.661   0.565  0.00  0.00    +0.071 A 
ATOM     30  C   LIG    1       -3.859  -1.661   0.631  0.00  0.00    +0.028 A 
ATOM     31  C   LIG    1       -2.512  -1.342   0.825  0.00  0.00    +0.010 A 
BRANCH  26  32
ATOM     32  C   LIG    1       -8.524  -0.544  -0.004  0.00  0.00    +0.215 C 
ATOM     33  F   LIG    1       -9.354   0.321   0.645  0.00  0.00    -0.239 F 
ATOM     34  C   LIG    1       -8.944  -0.636  -1.459  0.00  0.00    +0.050 C 
ENDBRANCH  26  32
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 5