REMARK  Name = BDB045668
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.634  -0.520  -1.571  0.00  0.00    +0.217 A 
ATOM      2  N   LIG    1        0.813  -0.874  -0.573  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1       -0.489  -1.077  -0.852  0.00  0.00    +0.129 A 
ATOM      4  C   LIG    1       -0.967  -0.953  -2.135  0.00  0.00    +0.063 A 
ATOM      5  C   LIG    1       -0.054  -0.590  -3.095  0.00  0.00    +0.118 A 
ATOM      6  N   LIG    1        1.242  -0.359  -2.837  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1        2.982  -0.295  -1.329  0.00  0.00    -0.309 N 
ATOM      8  H   LIG    1        3.314   0.229  -2.133  0.00  0.00    +0.149 HD
BRANCH   7   9
ATOM      9  C   LIG    1        3.241   0.338  -0.053  0.00  0.00    +0.141 C 
BRANCH   9  20
ATOM     10 CL   LIG    1        4.380   3.185  -0.895  0.00  0.00    -0.081 Cl
ATOM     11  C   LIG    1        5.280   1.857  -0.294  0.00  0.00    +0.073 A 
ATOM     12  C   LIG    1        6.667   2.078  -0.188  0.00  0.00    +0.107 A 
ATOM     13  C   LIG    1        7.467   1.032   0.270  0.00  0.00    +0.067 A 
ATOM     14  N   LIG    1        8.741   1.541   0.260  0.00  0.00    -0.344 N 
ATOM     15  H   LIG    1        9.580   1.048   0.530  0.00  0.00    +0.167 HD
ATOM     16  C   LIG    1        8.678   2.830  -0.186  0.00  0.00    +0.197 A 
ATOM     17  C   LIG    1        6.964  -0.221   0.623  0.00  0.00    +0.028 A 
ATOM     18  C   LIG    1        5.579  -0.405   0.505  0.00  0.00    +0.009 A 
ATOM     19  N   LIG    1        7.446   3.185  -0.464  0.00  0.00    -0.234 NA
ATOM     20  C   LIG    1        4.721   0.620   0.064  0.00  0.00    -0.010 A 
ENDBRANCH   9  20
ENDBRANCH   7   9
ENDBRANCH   1   7
BRANCH   3  21
ATOM     21  N   LIG    1       -1.274  -1.437   0.242  0.00  0.00    -0.283 N 
ATOM     22  H   LIG    1       -0.664  -1.618   1.032  0.00  0.00    +0.155 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -2.590  -1.518   0.504  0.00  0.00    +0.146 A 
ATOM     24  N   LIG    1       -3.046  -2.102   1.616  0.00  0.00    -0.158 NA
ATOM     25  N   LIG    1       -4.378  -1.986   1.536  0.00  0.00    -0.277 N 
ATOM     26  H   LIG    1       -4.958  -2.386   2.268  0.00  0.00    +0.189 HD
ATOM     27  C   LIG    1       -4.807  -1.287   0.445  0.00  0.00    +0.067 A 
ATOM     28  C   LIG    1       -3.657  -0.975  -0.250  0.00  0.00    +0.070 A 
BRANCH  27  29
ATOM     29  C   LIG    1       -6.248  -1.016   0.193  0.00  0.00    +0.166 C 
ATOM     30  O   LIG    1       -6.968  -1.461   1.359  0.00  0.00    -0.370 OA
ATOM     31  C   LIG    1       -7.605  -0.327   1.966  0.00  0.00    +0.161 C 
ATOM     32  C   LIG    1       -6.909   0.899   1.422  0.00  0.00    +0.031 C 
ATOM     33  C   LIG    1       -6.571   0.461   0.018  0.00  0.00    +0.040 C 
ENDBRANCH  27  29
ENDBRANCH  21  23
ENDBRANCH   3  21
TORSDOF 6