REMARK  Name = BDB063551
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.532  -4.546  -1.338  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1       -0.116  -3.264  -1.106  0.00  0.00    -0.308 N 
ATOM      3  C   LIG    1        0.651  -2.147  -0.662  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1        0.018  -0.915  -0.441  0.00  0.00    +0.025 A 
ATOM      5  C   LIG    1        0.786   0.185  -0.005  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1        2.164   0.089   0.226  0.00  0.00    +0.032 A 
ATOM      7  C   LIG    1        2.776  -1.141  -0.004  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -1.435  -0.779  -0.673  0.00  0.00    +0.085 A 
ATOM      9  N   LIG    1       -2.004   0.482  -0.460  0.00  0.00    -0.332 N 
ATOM     10  H   LIG    1       -2.429   0.786  -1.344  0.00  0.00    +0.147 HD
ATOM     11  C   LIG    1       -3.056   0.629   0.579  0.00  0.00    +0.146 C 
ATOM     12  C   LIG    1       -4.399  -0.041   0.197  0.00  0.00    +0.300 C 
ATOM     13  C   LIG    1       -4.267  -1.521  -0.161  0.00  0.00    +0.306 C 
ATOM     14  O   LIG    1       -3.501  -1.758  -1.348  0.00  0.00    -0.479 OA
ATOM     15  F   LIG    1       -4.983   0.611  -0.847  0.00  0.00    -0.200 F 
ATOM     16  F   LIG    1       -5.270   0.055   1.244  0.00  0.00    -0.200 F 
ATOM     17  C   LIG    1       -2.140  -1.848  -1.085  0.00  0.00    +0.207 A 
ATOM     18  C   LIG    1        2.032  -2.246  -0.437  0.00  0.00    +0.028 A 
ATOM     19  C   LIG    1       -1.486  -3.176  -1.323  0.00  0.00    +0.295 A 
ATOM     20  O   LIG    1       -2.180  -4.131  -1.676  0.00  0.00    -0.264 OA
ENDROOT
BRANCH  11  21
ATOM     21  C   LIG    1       -3.108   2.108   0.908  0.00  0.00    +0.015 C 
ATOM     22  C   LIG    1       -4.375   2.895   1.153  0.00  0.00    +0.006 C 
ATOM     23  C   LIG    1       -3.573   3.139  -0.096  0.00  0.00    +0.006 C 
ENDBRANCH  11  21
BRANCH   6  24
ATOM     24  N   LIG    1        2.862   1.244   0.619  0.00  0.00    -0.313 N 
ATOM     25  H   LIG    1        2.318   1.848   1.233  0.00  0.00    +0.152 HD
BRANCH  24  26
ATOM     26  C   LIG    1        4.232   1.589   0.573  0.00  0.00    +0.054 A 
ATOM     27  C   LIG    1        4.791   2.429   1.554  0.00  0.00    +0.099 A 
ATOM     28 CL   LIG    1        3.787   3.067   2.814  0.00  0.00    -0.078 Cl
ATOM     29  C   LIG    1        6.151   2.717   1.474  0.00  0.00    +0.149 A 
ATOM     30 CL   LIG    1        6.971   3.723   2.607  0.00  0.00    -0.060 Cl
ATOM     31  N   LIG    1        6.975   2.247   0.509  0.00  0.00    -0.242 NA
ATOM     32  C   LIG    1        6.415   1.456  -0.426  0.00  0.00    +0.114 A 
ATOM     33  C   LIG    1        5.075   1.105  -0.434  0.00  0.00    +0.044 A 
ENDBRANCH  24  26
ENDBRANCH   6  24
TORSDOF 3