REMARK  Name = BDB021193
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.096   0.200  -0.467  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1        0.573  -0.026   0.836  0.00  0.00    +0.151 A 
ATOM      3  N   LIG    1       -0.787   0.148   0.995  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1       -1.068  -0.047   2.327  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1        0.137  -0.382   2.901  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1       -1.639   0.488  -0.071  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -1.150   0.694  -1.264  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        1.148  -0.381   1.970  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1        0.212   0.542  -1.430  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1        5.251  -0.293  -1.483  0.00  0.00    -0.032 A 
ATOM     11  C   LIG    1        4.708   0.995  -1.370  0.00  0.00    +0.025 A 
ATOM     12  C   LIG    1        3.361   1.179  -1.037  0.00  0.00    +0.049 A 
ATOM     13 CL   LIG    1        2.788   2.806  -0.896  0.00  0.00    -0.083 Cl
ATOM     14  C   LIG    1        2.524   0.073  -0.820  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1        3.069  -1.215  -0.934  0.00  0.00    +0.010 A 
ATOM     16  C   LIG    1        4.415  -1.396  -1.264  0.00  0.00    +0.005 A 
BRANCH  10  17
ATOM     17  C   LIG    1        6.713  -0.488  -1.830  0.00  0.00    +0.119 C 
BRANCH  17  19
ATOM     18  C   LIG    1        7.448  -1.678   0.179  0.00  0.00    +0.104 C 
ATOM     19  N   LIG    1        7.662  -0.542  -0.710  0.00  0.00    -0.304 NA
ATOM     20  C   LIG    1        7.749   0.705   0.041  0.00  0.00    +0.104 C 
ENDBRANCH  17  19
ENDBRANCH  10  17
ENDBRANCH   1  14
BRANCH   5  21
ATOM     21  C   LIG    1        0.382  -0.698   4.275  0.00  0.00    +0.121 C 
ATOM     22  N   LIG    1        0.549  -0.957   5.395  0.00  0.00    -0.189 NA
ENDBRANCH   5  21
BRANCH   6  23
ATOM     23  N   LIG    1       -2.992   0.628   0.138  0.00  0.00    -0.310 N 
ATOM     24  H   LIG    1       -3.374   1.134  -0.660  0.00  0.00    +0.149 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -3.800  -0.570   0.344  0.00  0.00    +0.143 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -5.200  -0.174   0.704  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1       -6.157   0.165  -0.248  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -6.054   0.256  -1.725  0.00  0.00    +0.080 C 
ATOM     29  C   LIG    1       -7.538   0.381  -2.072  0.00  0.00    +0.234 C 
ATOM     30  O   LIG    1       -8.250   0.884  -0.919  0.00  0.00    -0.491 OA
ATOM     31  C   LIG    1       -7.431   0.567   0.133  0.00  0.00    +0.124 A 
ATOM     32  C   LIG    1       -7.813   0.656   1.457  0.00  0.00    +0.049 A 
ATOM     33  C   LIG    1       -6.873   0.315   2.428  0.00  0.00    +0.042 A 
ATOM     34  C   LIG    1       -5.587  -0.091   2.049  0.00  0.00    +0.129 A 
ATOM     35  F   LIG    1       -4.706  -0.404   3.011  0.00  0.00    -0.205 F 
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   6  23
TORSDOF 7