REMARK  Name = BDB040503
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.107  -2.464  -0.102  0.00  0.00    +0.139 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.208  -1.835  -0.472  0.00  0.00    -0.028 A 
ATOM      3  C   LIG    1        1.340  -1.084  -1.641  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1        2.558  -0.472  -1.972  0.00  0.00    +0.047 A 
ATOM      5 CL   LIG    1        2.577   0.391  -3.474  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1        3.687  -0.576  -1.130  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        3.535  -1.345   0.044  0.00  0.00    +0.047 A 
ATOM      8 CL   LIG    1        4.836  -1.615   1.156  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1        2.316  -1.956   0.369  0.00  0.00    +0.025 A 
BRANCH   6  10
ATOM     10  C   LIG    1        5.022   0.090  -1.460  0.00  0.00    +0.108 C 
ATOM     11  C   LIG    1        4.903   1.585  -1.749  0.00  0.00    +0.227 C 
ATOM     12  O   LIG    1        4.119   2.326  -1.158  0.00  0.00    -0.275 OA
ATOM     13  N   LIG    1        5.787   2.102  -2.665  0.00  0.00    -0.256 N 
ATOM     14  H   LIG    1        5.702   3.094  -2.844  0.00  0.00    +0.157 HD
ATOM     15  C   LIG    1        6.874   1.486  -3.229  0.00  0.00    +0.219 C 
ATOM     16  O   LIG    1        7.672   2.114  -3.919  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1        7.080   0.033  -2.879  0.00  0.00    +0.097 C 
ATOM     18  C   LIG    1        5.759  -0.655  -2.579  0.00  0.00    +0.027 C 
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  20
ATOM     19  C   LIG    1       -1.975  -2.113   1.443  0.00  0.00    +0.225 C 
ATOM     20  N   LIG    1       -0.784  -1.678   0.897  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -0.618  -0.674   0.916  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1       -2.441  -3.221   1.187  0.00  0.00    -0.275 OA
BRANCH  19  24
ATOM     23  C   LIG    1       -3.927  -1.762   2.994  0.00  0.00    +0.027 C 
ATOM     24  C   LIG    1       -2.663  -1.107   2.394  0.00  0.00    +0.083 C 
ATOM     25  C   LIG    1       -1.717  -0.809   3.579  0.00  0.00    +0.027 C 
BRANCH  24  26
ATOM     26  C   LIG    1       -2.970   0.176   1.613  0.00  0.00    +0.059 A 
ATOM     27  N   LIG    1       -1.947   1.049   1.459  0.00  0.00    -0.239 NA
ATOM     28  C   LIG    1       -2.200   2.164   0.756  0.00  0.00    +0.221 A 
ATOM     29  N   LIG    1       -3.361   2.478   0.172  0.00  0.00    -0.240 NA
ATOM     30  C   LIG    1       -4.372   1.597   0.306  0.00  0.00    +0.048 A 
ATOM     31  C   LIG    1       -4.201   0.418   1.021  0.00  0.00    +0.048 A 
BRANCH  30  32
ATOM     32  C   LIG    1       -5.689   1.907  -0.366  0.00  0.00    +0.038 C 
ATOM     33  C   LIG    1       -6.951   2.049   0.454  0.00  0.00    +0.010 C 
ATOM     34  C   LIG    1       -6.330   3.262  -0.172  0.00  0.00    +0.010 C 
ENDBRANCH  30  32
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH   1  20
TORSDOF 6