REMARK  Name = BDB014885
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.222  -0.994   0.650  0.00  0.00    -0.298 N 
ATOM      2  H   LIG    1       -0.491  -1.706   1.318  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1       -6.895  -2.294   1.888  0.00  0.00    +0.109 C 
ATOM      4  C   LIG    1       -5.390  -2.314   1.949  0.00  0.00    +0.213 C 
ATOM      5  N   LIG    1       -4.699  -1.611   0.969  0.00  0.00    -0.297 N 
ATOM      6  C   LIG    1       -3.230  -1.736   1.013  0.00  0.00    +0.148 C 
ATOM      7  C   LIG    1       -2.585  -0.692   0.174  0.00  0.00    +0.032 A 
ATOM      8  C   LIG    1       -1.218  -0.350  -0.008  0.00  0.00    +0.150 A 
ATOM      9  N   LIG    1       -1.101   0.637  -0.902  0.00  0.00    -0.155 NA
ATOM     10  N   LIG    1       -2.356   0.971  -1.237  0.00  0.00    -0.259 N 
ATOM     11  C   LIG    1       -3.282   0.160  -0.655  0.00  0.00    +0.048 A 
ATOM     12  C   LIG    1       -4.754   0.166  -0.820  0.00  0.00    +0.074 C 
ATOM     13  C   LIG    1       -5.311  -1.181  -0.309  0.00  0.00    +0.114 C 
ATOM     14  O   LIG    1       -4.813  -2.929   2.847  0.00  0.00    -0.276 OA
BRANCH  10  15
ATOM     15  C   LIG    1       -2.661   1.999  -2.237  0.00  0.00    +0.159 C 
ATOM     16  C   LIG    1       -3.484   3.161  -1.678  0.00  0.00    +0.189 C 
ATOM     17  O   LIG    1       -2.578   4.120  -2.287  0.00  0.00    -0.375 OA
ATOM     18  C   LIG    1       -1.576   3.067  -2.408  0.00  0.00    +0.189 C 
ENDBRANCH  10  15
ENDBRANCH   1   8
BRANCH   1  19
ATOM     19  C   LIG    1        1.181  -0.818   0.635  0.00  0.00    +0.033 A 
ATOM     20  C   LIG    1        1.841   0.146  -0.135  0.00  0.00    +0.033 A 
ATOM     21  C   LIG    1        3.248   0.277  -0.135  0.00  0.00    +0.027 A 
ATOM     22  C   LIG    1        4.012  -0.578   0.677  0.00  0.00    -0.006 A 
ATOM     23  C   LIG    1        3.364  -1.556   1.441  0.00  0.00    +0.011 A 
ATOM     24  C   LIG    1        1.970  -1.673   1.418  0.00  0.00    +0.024 A 
BRANCH  22  25
ATOM     25  C   LIG    1        5.456  -0.504   0.746  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1        6.168   0.593   1.180  0.00  0.00    +0.116 A 
ATOM     27  N   LIG    1        7.484   0.239   1.120  0.00  0.00    -0.274 N 
ATOM     28  C   LIG    1        8.620   1.056   1.469  0.00  0.00    +0.172 C 
ATOM     29  N   LIG    1        7.681  -1.020   0.686  0.00  0.00    -0.179 NA
ATOM     30  C   LIG    1        6.443  -1.476   0.474  0.00  0.00    +0.142 A 
ENDBRANCH  22  25
BRANCH  21  31
ATOM     31  C   LIG    1        3.879   1.338  -1.003  0.00  0.00    +0.372 C 
ATOM     32  F   LIG    1        4.244   2.445  -0.296  0.00  0.00    -0.204 F 
ATOM     33  F   LIG    1        3.051   1.797  -1.988  0.00  0.00    -0.204 F 
ENDBRANCH  21  31
ENDBRANCH   1  19
TORSDOF 5