REMARK  Name = BDB036205
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.478  -0.705   0.606  0.00  0.00    -0.325 N 
ATOM      2  C   LIG    1        0.398   0.290   0.778  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1       -0.947  -0.439   1.024  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -1.285  -1.399  -0.055  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1       -0.163  -2.353  -0.228  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        1.190  -1.649  -0.493  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        5.366   0.793   0.745  0.00  0.00    +0.127 A 
ATOM      8  N   LIG    1        4.615   1.182  -0.317  0.00  0.00    -0.229 NA
ATOM      9  C   LIG    1        3.351   0.697  -0.364  0.00  0.00    +0.151 A 
ATOM     10 CL   LIG    1        2.521   1.273  -1.761  0.00  0.00    -0.060 Cl
ATOM     11  C   LIG    1        2.775  -0.164   0.589  0.00  0.00    +0.067 A 
ATOM     12  C   LIG    1        3.606  -0.527   1.659  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1        4.912  -0.051   1.746  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1        8.409   2.705  -0.427  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1        7.083   2.187  -0.235  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        6.380   2.294  -0.963  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        6.766   1.328   0.796  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1        7.541   1.004   1.688  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1       -2.530  -2.132   0.224  0.00  0.00    +0.122 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.763  -1.271   0.100  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1       -4.260  -0.922  -1.159  0.00  0.00    +0.153 A 
ATOM     22  F   LIG    1       -3.659  -1.380  -2.269  0.00  0.00    -0.203 F 
ATOM     23  C   LIG    1       -5.389  -0.112  -1.286  0.00  0.00    +0.104 A 
ATOM     24  C   LIG    1       -6.052   0.368  -0.148  0.00  0.00    +0.090 A 
ATOM     25  N   LIG    1       -7.194   1.188  -0.231  0.00  0.00    -0.248 NA
ATOM     26  C   LIG    1       -7.625   1.492  -1.418  0.00  0.00    +0.181 A 
ATOM     27  C   LIG    1       -6.980   1.024  -2.704  0.00  0.00    +0.267 A 
ATOM     28  O   LIG    1       -7.457   1.361  -3.776  0.00  0.00    -0.266 OA
ATOM     29  C   LIG    1       -5.562   0.020   1.112  0.00  0.00    +0.030 A 
ATOM     30  N   LIG    1       -5.875   0.229  -2.556  0.00  0.00    -0.317 N 
ATOM     31  H   LIG    1       -5.404  -0.107  -3.386  0.00  0.00    +0.169 HD
ATOM     32  C   LIG    1       -4.429  -0.791   1.239  0.00  0.00    +0.010 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 4