REMARK  Name = BDB046845
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.308  -0.241   1.194  0.00  0.00    -0.298 NA
ATOM      2  C   LIG    1       -1.171   0.689   1.928  0.00  0.00    +0.089 C 
ATOM      3  C   LIG    1       -2.650   0.426   1.587  0.00  0.00    +0.051 C 
ATOM      4  C   LIG    1       -2.885   0.306   0.098  0.00  0.00    -0.042 C 
ATOM      5  C   LIG    1       -1.843   0.093  -0.729  0.00  0.00    -0.008 C 
ATOM      6  C   LIG    1       -0.421  -0.040  -0.255  0.00  0.00    +0.112 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -4.269   0.416  -0.405  0.00  0.00    -0.022 A 
ATOM      8  C   LIG    1       -4.566   1.190  -1.536  0.00  0.00    +0.009 A 
ATOM      9  C   LIG    1       -5.879   1.308  -2.002  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -6.931   0.661  -1.340  0.00  0.00    +0.055 A 
ATOM     11  C   LIG    1       -6.638  -0.116  -0.211  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1       -5.323  -0.231   0.253  0.00  0.00    +0.009 A 
BRANCH  10  13
ATOM     13  C   LIG    1       -8.345   0.768  -1.855  0.00  0.00    +0.417 C 
ATOM     14  F   LIG    1       -9.284   0.640  -0.875  0.00  0.00    -0.166 F 
ATOM     15  F   LIG    1       -8.635  -0.190  -2.778  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1       -8.604   1.961  -2.460  0.00  0.00    -0.166 F 
ENDBRANCH  10  13
ENDBRANCH   4   7
BRANCH   1  17
ATOM     17  C   LIG    1        1.078  -0.271   1.665  0.00  0.00    +0.085 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.847   1.060   1.633  0.00  0.00    +0.023 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.273   0.917   2.173  0.00  0.00    +0.075 C 
BRANCH  19  28
ATOM     20  O   LIG    1        5.561  -3.135   1.427  0.00  0.00    -0.267 OA
ATOM     21  C   LIG    1        5.256  -2.031   0.991  0.00  0.00    +0.259 A 
ATOM     22  C   LIG    1        5.694  -1.556  -0.331  0.00  0.00    +0.065 A 
ATOM     23  C   LIG    1        5.292  -0.275  -0.718  0.00  0.00    +0.078 A 
ATOM     24  C   LIG    1        5.695   0.201  -1.967  0.00  0.00    +0.028 A 
ATOM     25  C   LIG    1        6.483  -0.590  -2.809  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        6.877  -1.867  -2.408  0.00  0.00    +0.001 A 
ATOM     27  N   LIG    1        4.499   0.549   0.100  0.00  0.00    -0.234 NA
ATOM     28  C   LIG    1        4.137   0.087   1.252  0.00  0.00    +0.110 A 
ATOM     29  C   LIG    1        6.482  -2.357  -1.164  0.00  0.00    +0.015 A 
ATOM     30  N   LIG    1        4.482  -1.155   1.709  0.00  0.00    -0.310 N 
ATOM     31  H   LIG    1        4.187  -1.484   2.617  0.00  0.00    +0.170 HD
ENDBRANCH  19  28
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 6