REMARK  Name = BDB019834
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.374  -0.152   0.020  0.00  0.00    +0.072 A 
ATOM      2  N   LIG    1       -0.113   0.055   0.461  0.00  0.00    -0.242 NA
ATOM      3  C   LIG    1        0.514   1.189   0.047  0.00  0.00    +0.126 A 
ATOM      4  C   LIG    1       -0.059   2.134  -0.792  0.00  0.00    +0.038 A 
ATOM      5  C   LIG    1       -1.361   1.915  -1.245  0.00  0.00    -0.023 A 
ATOM      6  C   LIG    1       -2.022   0.751  -0.826  0.00  0.00    +0.033 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -0.123  -2.864  -0.358  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1       -1.451  -2.668   0.327  0.00  0.00    -0.039 A 
ATOM      9  C   LIG    1       -2.028  -1.384   0.496  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1       -3.276  -1.292   1.153  0.00  0.00    +0.013 A 
ATOM     11  C   LIG    1       -3.929  -2.428   1.635  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1       -3.341  -3.671   1.471  0.00  0.00    +0.124 A 
ATOM     13  F   LIG    1       -3.960  -4.763   1.938  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1       -2.115  -3.801   0.829  0.00  0.00    +0.042 A 
ENDBRANCH   1   9
BRANCH   3  15
ATOM     15  C   LIG    1        1.915   1.376   0.541  0.00  0.00    +0.263 C 
ATOM     16  N   LIG    1        2.335   0.398   1.415  0.00  0.00    -0.306 N 
ATOM     17  H   LIG    1        1.686  -0.371   1.563  0.00  0.00    +0.149 HD
ATOM     18  O   LIG    1        2.607   2.315   0.167  0.00  0.00    -0.269 OA
BRANCH  16  19
ATOM     19  C   LIG    1        3.701   0.272   1.851  0.00  0.00    +0.140 C 
BRANCH  19  20
ATOM     20  C   LIG    1        4.430  -0.746   1.011  0.00  0.00    -0.029 A 
ATOM     21  C   LIG    1        4.972  -0.378  -0.231  0.00  0.00    +0.026 A 
ATOM     22  C   LIG    1        5.618  -1.322  -1.036  0.00  0.00    +0.060 A 
ATOM     23 CL   LIG    1        6.255  -0.787  -2.551  0.00  0.00    -0.082 Cl
ATOM     24  C   LIG    1        5.723  -2.648  -0.605  0.00  0.00    +0.059 A 
ATOM     25 CL   LIG    1        6.503  -3.870  -1.545  0.00  0.00    -0.082 Cl
ATOM     26  C   LIG    1        5.179  -3.023   0.626  0.00  0.00    +0.022 A 
ATOM     27  C   LIG    1        4.532  -2.079   1.428  0.00  0.00    +0.007 A 
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH   3  15
BRANCH   5  28
ATOM     28  C   LIG    1       -2.047   2.922  -2.139  0.00  0.00    +0.161 C 
BRANCH  28  29
ATOM     29  N   LIG    1       -3.052   3.662  -1.408  0.00  0.00    -0.295 N 
ATOM     30  C   LIG    1       -4.395   3.355  -1.338  0.00  0.00    +0.296 A 
ATOM     31  N   LIG    1       -5.087   2.465  -1.951  0.00  0.00    -0.250 NA
ATOM     32  H   LIG    1       -4.502   1.945  -2.601  0.00  0.00    +0.191 HD
ATOM     33  O   LIG    1       -5.035   4.192  -0.431  0.00  0.00    -0.431 OA
ATOM     34  C   LIG    1       -3.976   4.990   0.012  0.00  0.00    +0.217 A 
ATOM     35  C   LIG    1       -2.809   4.691  -0.544  0.00  0.00    +0.129 A 
ENDBRANCH  28  29
ENDBRANCH   5  28
TORSDOF 6