REMARK  Name = BDB007458
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.041  -0.673  -0.127  0.00  0.00    +0.074 C 
ATOM      2  C   LIG    1       -0.426  -0.258  -0.414  0.00  0.00    +0.097 C 
ATOM      3  C   LIG    1       -1.397  -1.380  -0.050  0.00  0.00    -0.006 A 
ATOM      4  C   LIG    1       -2.141  -1.729  -1.179  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -3.111  -2.712  -1.173  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -3.331  -3.381   0.031  0.00  0.00    +0.078 A 
ATOM      7  C   LIG    1       -2.579  -3.058   1.172  0.00  0.00    +0.142 A 
ATOM      8  F   LIG    1       -2.784  -3.709   2.327  0.00  0.00    -0.204 F 
ATOM      9 CL   LIG    1       -4.529  -4.615   0.100  0.00  0.00    -0.081 Cl
ATOM     10  N   LIG    1       -1.755  -0.959  -2.259  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -2.155  -0.992  -3.186  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -1.602  -2.061   1.141  0.00  0.00    +0.046 A 
ATOM     13  C   LIG    1       -0.769  -0.045  -1.914  0.00  0.00    +0.230 C 
ATOM     14  O   LIG    1       -0.309   0.784  -2.682  0.00  0.00    -0.274 OA
ATOM     15  C   LIG    1       -0.564   1.065   0.361  0.00  0.00    +0.059 C 
ATOM     16  CA  LIG    1        0.293   0.816   1.617  0.00  0.00    +0.088 C 
ATOM     17  N   LIG    1        1.347  -0.145   1.220  0.00  0.00    -0.306 NA
ATOM     18  H   LIG    1        1.411  -0.904   1.897  0.00  0.00    +0.123 HD
ENDROOT
BRANCH  15  19
ATOM     19  C   LIG    1       -1.984   1.572   0.569  0.00  0.00    -0.040 A 
ATOM     20  C   LIG    1       -2.546   2.411  -0.413  0.00  0.00    +0.024 A 
ATOM     21  C   LIG    1       -3.851   2.886  -0.288  0.00  0.00    +0.041 A 
ATOM     22 CL   LIG    1       -4.513   3.905  -1.507  0.00  0.00    -0.084 Cl
ATOM     23  C   LIG    1       -4.625   2.539   0.814  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1       -4.086   1.710   1.796  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -2.778   1.230   1.674  0.00  0.00    +0.004 A 
ENDBRANCH  15  19
BRANCH   1  26
ATOM     26  C   LIG    1        2.088  -0.154  -1.142  0.00  0.00    +0.026 C 
BRANCH  26  28
ATOM     27  C   LIG    1        4.238   0.195   0.237  0.00  0.00    +0.010 C 
ATOM     28  C   LIG    1        3.586  -0.546  -0.943  0.00  0.00    -0.036 C 
ATOM     29  C   LIG    1        3.751  -2.062  -0.746  0.00  0.00    +0.010 C 
ATOM     30  C   LIG    1        4.347  -0.138  -2.224  0.00  0.00    +0.010 C 
ENDBRANCH  26  28
ENDBRANCH   1  26
BRANCH  16  31
ATOM     31  C   LIG    1        0.892   2.103   2.219  0.00  0.00    +0.175 C 
BRANCH  31  32
ATOM     32  O   LIG    1        1.607   2.861   1.250  0.00  0.00    -0.393 OA
ATOM     33  H   LIG    1        2.104   3.545   1.729  0.00  0.00    +0.209 HD
ENDBRANCH  31  32
ENDBRANCH  16  31
TORSDOF 5