REMARK  Name = BDB021835
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.612   0.865   0.233  0.00  0.00    -0.281 N 
ATOM      2  C   LIG    1        1.372  -0.312   0.198  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1        2.739  -0.130   0.130  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1        3.080   0.768  -0.195  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1        0.828  -1.413   0.226  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1   9
ATOM      6  N   LIG    1       -3.281  -0.906  -0.269  0.00  0.00    -0.300 NA
ATOM      7  C   LIG    1       -2.844   0.102  -1.235  0.00  0.00    +0.086 C 
ATOM      8  C   LIG    1       -1.328   0.283  -1.254  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1       -0.861   0.784   0.119  0.00  0.00    +0.080 C 
ATOM     10  C   LIG    1       -1.536   0.038   1.283  0.00  0.00    +0.038 C 
ATOM     11  C   LIG    1       -2.344  -1.177   0.823  0.00  0.00    +0.086 C 
BRANCH   6  12
ATOM     12  C   LIG    1       -4.715  -0.832   0.061  0.00  0.00    +0.054 C 
ATOM     13  C   LIG    1       -5.032   0.186   1.163  0.00  0.00    +0.024 C 
BRANCH  12  14
ATOM     14  C   LIG    1       -5.247  -2.246   0.396  0.00  0.00    +0.018 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -7.598  -1.932  -0.562  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1       -6.758  -2.348   0.635  0.00  0.00    -0.002 C 
ENDBRANCH  14  16
ENDBRANCH  12  14
ENDBRANCH   6  12
ENDBRANCH   1   9
BRANCH   3  17
ATOM     17  C   LIG    1        3.735  -1.129   0.241  0.00  0.00    +0.035 A 
ATOM     18  C   LIG    1        5.051  -0.758  -0.066  0.00  0.00    +0.035 A 
ATOM     19  C   LIG    1        6.111  -1.678   0.024  0.00  0.00    +0.057 A 
ATOM     20  C   LIG    1        5.838  -2.985   0.447  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1        4.534  -3.360   0.762  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        3.490  -2.436   0.662  0.00  0.00    +0.023 A 
BRANCH  19  23
ATOM     23  C   LIG    1        7.516  -1.242  -0.301  0.00  0.00    +0.417 C 
ATOM     24  F   LIG    1        8.374  -2.281  -0.506  0.00  0.00    -0.166 F 
ATOM     25  F   LIG    1        8.071  -0.493   0.693  0.00  0.00    -0.166 F 
ATOM     26  F   LIG    1        7.588  -0.477  -1.427  0.00  0.00    -0.166 F 
ENDBRANCH  19  23
ENDBRANCH   3  17
BRANCH   1  27
ATOM     27  C   LIG    1        1.192   2.209   0.309  0.00  0.00    +0.128 C 
BRANCH  27  28
ATOM     28  C   LIG    1        1.430   2.808  -1.085  0.00  0.00    +0.123 C 
BRANCH  28  29
ATOM     29  N   LIG    1        2.388   3.894  -1.075  0.00  0.00    -0.313 N 
ATOM     30  H   LIG    1        2.059   4.854  -1.024  0.00  0.00    +0.149 HD
ATOM     31  C   LIG    1        3.729   3.656  -0.865  0.00  0.00    +0.228 C 
ATOM     32  O   LIG    1        4.164   2.512  -0.728  0.00  0.00    -0.275 OA
BRANCH  31  33
ATOM     33  C   LIG    1        4.642   4.868  -0.886  0.00  0.00    +0.204 C 
ATOM     34 CL   LIG    1        3.820   6.310  -0.245  0.00  0.00    -0.116 Cl
ENDBRANCH  31  33
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH   1  27
TORSDOF 10