REMARK  Name = BDB032190
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.684  -0.431   0.252  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -2.569  -0.582   1.064  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -2.483  -0.403   2.264  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -1.466  -1.005   0.196  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1       -1.936  -1.023  -1.112  0.00  0.00    +0.017 A 
ATOM      6  C   LIG    1       -1.086  -1.376  -2.133  0.00  0.00    +0.129 A 
ATOM      7  C   LIG    1        0.236  -1.715  -1.839  0.00  0.00    +0.045 A 
ATOM      8  C   LIG    1        0.708  -1.702  -0.506  0.00  0.00    -0.007 A 
ATOM      9  F   LIG    1       -1.517  -1.391  -3.399  0.00  0.00    -0.205 F 
ATOM     10  C   LIG    1       -0.163  -1.331   0.531  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -3.360  -0.601  -1.161  0.00  0.00    +0.147 C 
ENDROOT
BRANCH   1  18
ATOM     12  O   LIG    1       -8.334   2.468   0.318  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -7.325   1.800   0.524  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1       -6.086   2.386   0.573  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -6.076   3.372   0.344  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -4.882   1.741   0.402  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1       -3.896   2.361   0.010  0.00  0.00    -0.273 OA
ATOM     18  C   LIG    1       -4.892   0.237   0.723  0.00  0.00    +0.163 C 
ATOM     19  C   LIG    1       -6.164  -0.385   0.154  0.00  0.00    +0.041 C 
ATOM     20  C   LIG    1       -7.377   0.308   0.756  0.00  0.00    +0.098 C 
ENDBRANCH   1  18
BRANCH   8  21
ATOM     21  C   LIG    1        2.147  -2.035  -0.203  0.00  0.00    +0.269 C 
BRANCH  21  22
ATOM     22  O   LIG    1        2.857  -0.800  -0.092  0.00  0.00    -0.445 OA
BRANCH  22  23
ATOM     23  C   LIG    1        4.181  -0.951   0.169  0.00  0.00    +0.405 C 
ATOM     24  N   LIG    1        4.738   0.293   0.264  0.00  0.00    -0.251 N 
ATOM     25  H   LIG    1        4.067   1.039   0.131  0.00  0.00    +0.158 HD
ATOM     26  O   LIG    1        4.734  -2.032   0.288  0.00  0.00    -0.226 OA
BRANCH  24  27
ATOM     27  C   LIG    1        6.077   0.631   0.522  0.00  0.00    +0.041 A 
ATOM     28  C   LIG    1        6.394   1.996   0.575  0.00  0.00    +0.046 A 
ATOM     29  C   LIG    1        7.707   2.410   0.826  0.00  0.00    +0.081 A 
ATOM     30 CL   LIG    1        8.062   4.094   0.883  0.00  0.00    -0.080 Cl
ATOM     31  C   LIG    1        8.708   1.467   1.026  0.00  0.00    +0.177 A 
ATOM     32  F   LIG    1        9.972   1.847   1.268  0.00  0.00    -0.201 F 
ATOM     33  C   LIG    1        8.394   0.117   0.975  0.00  0.00    +0.162 A 
ATOM     34  F   LIG    1        9.353  -0.800   1.166  0.00  0.00    -0.202 F 
ATOM     35  C   LIG    1        7.090  -0.309   0.725  0.00  0.00    +0.064 A 
ENDBRANCH  24  27
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   8  21
TORSDOF 5