REMARK  Name = BDB036188
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.156  -0.468  -0.406  0.00  0.00    -0.324 N 
ATOM      2  C   LIG    1       -1.231   0.678  -0.354  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1        0.235   0.186  -0.389  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1        0.596  -0.574  -1.610  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1       -0.582  -1.271  -2.168  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1       -1.690  -1.648  -1.155  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1       -6.108  -0.133   0.892  0.00  0.00    +0.129 A 
ATOM      8  N   LIG    1       -5.422   1.014   0.678  0.00  0.00    -0.213 NA
ATOM      9  C   LIG    1       -4.143   0.869   0.254  0.00  0.00    +0.235 A 
ATOM     10  F   LIG    1       -3.497   2.025   0.023  0.00  0.00    -0.182 F 
ATOM     11  C   LIG    1       -3.475  -0.354   0.017  0.00  0.00    +0.085 A 
ATOM     12  C   LIG    1       -4.251  -1.496   0.268  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1       -5.573  -1.397   0.705  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1       -9.226   1.675   2.031  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1       -7.947   1.324   1.477  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1       -7.241   2.040   1.321  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1       -7.522   0.017   1.364  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1       -8.215  -0.959   1.629  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1        1.707  -1.508  -1.354  0.00  0.00    +0.121 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.012  -0.804  -1.028  0.00  0.00    -0.015 A 
ATOM     21  C   LIG    1        3.713  -0.970   0.181  0.00  0.00    +0.051 A 
ATOM     22 CL   LIG    1        3.078  -2.008   1.421  0.00  0.00    -0.083 Cl
ATOM     23  C   LIG    1        4.935  -0.293   0.415  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1        5.684  -0.461   1.710  0.00  0.00    +0.119 C 
ATOM     25  C   LIG    1        7.032   0.187   1.747  0.00  0.00    +0.181 C 
ATOM     26  C   LIG    1        7.371   1.144   0.633  0.00  0.00    +0.081 C 
ATOM     27  N   LIG    1        6.628   1.298  -0.416  0.00  0.00    -0.249 NA
ATOM     28  C   LIG    1        8.640   1.933   0.780  0.00  0.00    +0.069 C 
ATOM     29  O   LIG    1        7.844   0.007   2.647  0.00  0.00    -0.290 OA
ATOM     30  C   LIG    1        5.445   0.566  -0.565  0.00  0.00    +0.069 A 
ATOM     31  C   LIG    1        4.749   0.731  -1.763  0.00  0.00    +0.028 A 
ATOM     32  C   LIG    1        3.554   0.055  -1.997  0.00  0.00    +0.008 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 4