REMARK  Name = BDB034527
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -4.429   0.511   0.465  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -3.822   1.710   0.119  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -4.302   2.826   0.104  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -2.444   1.391  -0.268  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1       -1.420   2.236  -0.642  0.00  0.00    +0.017 A 
ATOM      6  C   LIG    1       -0.195   1.649  -0.971  0.00  0.00    +0.049 A 
ATOM      7  C   LIG    1       -0.011   0.249  -0.918  0.00  0.00    +0.156 A 
ATOM      8  C   LIG    1       -1.088  -0.570  -0.552  0.00  0.00    +0.170 A 
ATOM      9  F   LIG    1       -1.000  -1.906  -0.532  0.00  0.00    -0.201 F 
ATOM     10  C   LIG    1       -2.296   0.010  -0.223  0.00  0.00    +0.021 A 
ATOM     11  C   LIG    1       -3.575  -0.634   0.174  0.00  0.00    +0.147 C 
ENDROOT
BRANCH   1  18
ATOM     12  O   LIG    1       -9.883   1.296   0.520  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -8.674   1.085   0.577  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1       -7.955   0.786  -0.553  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -8.473   0.787  -1.421  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -6.637   0.399  -0.639  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1       -6.170   0.022  -1.713  0.00  0.00    -0.273 OA
ATOM     18  C   LIG    1       -5.862   0.349   0.687  0.00  0.00    +0.163 C 
ATOM     19  C   LIG    1       -6.447   1.346   1.687  0.00  0.00    +0.041 C 
ATOM     20  C   LIG    1       -7.925   1.050   1.888  0.00  0.00    +0.098 C 
ENDBRANCH   1  18
BRANCH   7  21
ATOM     21  O   LIG    1        1.246  -0.150  -1.281  0.00  0.00    -0.484 OA
BRANCH  21  22
ATOM     22  C   LIG    1        1.707  -1.454  -0.898  0.00  0.00    +0.191 C 
ATOM     23  C   LIG    1        3.206  -1.407  -0.445  0.00  0.00    +0.097 C 
ATOM     24  C   LIG    1        3.634  -2.845  -0.032  0.00  0.00    +0.022 C 
ATOM     25  C   LIG    1        2.921  -3.971  -0.782  0.00  0.00    +0.002 C 
ATOM     26  C   LIG    1        2.516  -3.541  -2.178  0.00  0.00    +0.004 C 
ATOM     27  C   LIG    1        1.548  -2.363  -2.135  0.00  0.00    +0.046 C 
BRANCH  23  28
ATOM     28  N   LIG    1        3.418  -0.476   0.698  0.00  0.00    -0.295 NA
ATOM     29  C   LIG    1        4.829  -0.411   1.153  0.00  0.00    +0.090 C 
ATOM     30  C   LIG    1        5.067   0.837   0.285  0.00  0.00    +0.020 C 
ATOM     31  C   LIG    1        3.529   0.936   0.245  0.00  0.00    +0.090 C 
BRANCH  30  32
ATOM     32  C   LIG    1        5.870   1.991   0.844  0.00  0.00    -0.005 C 
ATOM     33  C   LIG    1        7.355   2.129   0.644  0.00  0.00    +0.004 C 
ATOM     34  C   LIG    1        6.415   3.101  -0.013  0.00  0.00    +0.004 C 
ENDBRANCH  30  32
ENDBRANCH  23  28
ENDBRANCH  21  22
ENDBRANCH   7  21
TORSDOF 5