REMARK  Name = BDB046485
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.974   1.641   0.861  0.00  0.00    -0.310 N 
ATOM      2  H   LIG    1       -0.449   2.127   0.144  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1       -0.406   0.551   1.480  0.00  0.00    +0.246 C 
ATOM      4  O   LIG    1       -0.985  -0.098   2.349  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.997   0.190   1.117  0.00  0.00    +0.055 A 
ATOM      6  C   LIG    1        1.632   0.467  -0.101  0.00  0.00    +0.055 A 
ATOM      7 CL   LIG    1        0.861   1.262  -1.431  0.00  0.00    -0.083 Cl
ATOM      8  C   LIG    1        2.967   0.075  -0.312  0.00  0.00    +0.044 A 
ATOM      9  C   LIG    1        3.683  -0.604   0.675  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1        3.047  -0.895   1.883  0.00  0.00    +0.024 A 
ATOM     11  C   LIG    1        1.722  -0.506   2.100  0.00  0.00    +0.016 A 
BRANCH   9  12
ATOM     12  N   LIG    1        5.017  -1.028   0.537  0.00  0.00    -0.279 N 
ATOM     13  H   LIG    1        5.430  -1.527   1.319  0.00  0.00    +0.155 HD
ATOM     14  C   LIG    1        5.870  -0.853  -0.539  0.00  0.00    +0.284 C 
ATOM     15  O   LIG    1        5.587  -0.271  -1.581  0.00  0.00    -0.266 OA
BRANCH  14  16
ATOM     16  C   LIG    1        7.179  -1.440  -0.313  0.00  0.00    +0.189 A 
ATOM     17  O   LIG    1        7.438  -2.073   0.877  0.00  0.00    -0.458 OA
ATOM     18  C   LIG    1        8.718  -2.522   0.821  0.00  0.00    +0.196 A 
ATOM     19  C   LIG    1        9.294  -2.190  -0.382  0.00  0.00    +0.042 A 
ATOM     20  C   LIG    1        8.304  -1.493  -1.114  0.00  0.00    +0.054 A 
ENDBRANCH  14  16
ENDBRANCH   9  12
ENDBRANCH   3   5
BRANCH   1  21
ATOM     21  C   LIG    1       -2.359   2.032   1.085  0.00  0.00    +0.116 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.286   1.814  -0.165  0.00  0.00    +0.015 C 
ATOM     23  C   LIG    1       -4.765   2.115   0.235  0.00  0.00    +0.041 C 
ATOM     24  C   LIG    1       -5.181   3.567   0.006  0.00  0.00    +0.160 C 
ATOM     25  O   LIG    1       -4.073   4.438   0.182  0.00  0.00    -0.380 OA
ATOM     26  C   LIG    1       -3.099   4.286  -0.848  0.00  0.00    +0.160 C 
ATOM     27  C   LIG    1       -2.906   2.830  -1.275  0.00  0.00    +0.041 C 
BRANCH  22  31
ATOM     28  C   LIG    1       -3.044  -2.396  -1.378  0.00  0.00    +0.120 A 
ATOM     29  C   LIG    1       -2.679  -1.387  -2.268  0.00  0.00    +0.046 A 
ATOM     30  C   LIG    1       -2.754  -0.039  -1.899  0.00  0.00    +0.008 A 
ATOM     31  C   LIG    1       -3.201   0.340  -0.624  0.00  0.00    -0.039 A 
ATOM     32  C   LIG    1       -3.571  -0.693   0.259  0.00  0.00    +0.008 A 
ATOM     33  C   LIG    1       -3.492  -2.042  -0.110  0.00  0.00    +0.046 A 
BRANCH  28  35
ATOM     34  C   LIG    1       -3.229  -4.727  -0.970  0.00  0.00    +0.277 C 
ATOM     35  O   LIG    1       -2.917  -3.667  -1.865  0.00  0.00    -0.495 OA
ENDBRANCH  28  35
ENDBRANCH  22  31
ENDBRANCH  21  22
ENDBRANCH   1  21
TORSDOF 7