REMARK  Name = BDB032685
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -4.476  -0.126  -0.212  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -3.388  -0.264  -1.062  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -3.281   0.121  -2.210  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -2.351  -0.979  -0.310  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -2.817  -1.181   0.987  0.00  0.00    -0.018 A 
ATOM      6  C   LIG    1       -2.026  -1.827   1.918  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1       -0.758  -2.269   1.515  0.00  0.00    +0.007 A 
ATOM      8  C   LIG    1       -0.293  -2.070   0.193  0.00  0.00    -0.010 A 
ATOM      9  C   LIG    1       -1.105  -1.402  -0.735  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1       -4.180  -0.591   1.137  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1       -8.783   3.219   0.319  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -7.851   2.499  -0.026  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1       -6.556   2.950   0.016  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -6.443   3.865   0.431  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -5.433   2.155   0.070  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1       -4.400   2.575   0.585  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1       -5.597   0.749  -0.533  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1       -6.936   0.171  -0.083  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1       -8.061   1.091  -0.533  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   8  20
ATOM     20  C   LIG    1        1.089  -2.528  -0.204  0.00  0.00    +0.269 C 
BRANCH  20  21
ATOM     21  O   LIG    1        1.975  -1.420  -0.037  0.00  0.00    -0.445 OA
BRANCH  21  22
ATOM     22  C   LIG    1        3.270  -1.705  -0.329  0.00  0.00    +0.405 C 
ATOM     23  N   LIG    1        4.002  -0.567  -0.144  0.00  0.00    -0.251 N 
ATOM     24  H   LIG    1        3.445   0.222   0.156  0.00  0.00    +0.158 HD
ATOM     25  O   LIG    1        3.660  -2.805  -0.688  0.00  0.00    -0.226 OA
BRANCH  23  26
ATOM     26  C   LIG    1        5.382  -0.376  -0.321  0.00  0.00    +0.040 A 
ATOM     27  C   LIG    1        5.893   0.903  -0.062  0.00  0.00    +0.069 A 
ATOM     28  C   LIG    1        7.257   1.187  -0.210  0.00  0.00    +0.132 A 
ATOM     29  C   LIG    1        8.120   0.174  -0.624  0.00  0.00    +0.046 A 
ATOM     30  C   LIG    1        7.619  -1.103  -0.884  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1        6.258  -1.378  -0.733  0.00  0.00    +0.023 A 
BRANCH  28  32
ATOM     32  O   LIG    1        7.599   2.477   0.079  0.00  0.00    -0.406 OA
BRANCH  32  33
ATOM     33  C   LIG    1        8.966   2.840  -0.030  0.00  0.00    +0.575 C 
ATOM     34  F   LIG    1        9.096   4.142   0.308  0.00  0.00    -0.133 F 
ATOM     35  F   LIG    1        9.411   2.689  -1.295  0.00  0.00    -0.133 F 
ATOM     36  F   LIG    1        9.732   2.111   0.810  0.00  0.00    -0.133 F 
ENDBRANCH  32  33
ENDBRANCH  28  32
ENDBRANCH  23  26
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   8  20
TORSDOF 7