REMARK  Name = BDB044610
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.915  -3.130  -0.652  0.00  0.00    +0.046 A 
ATOM      2  C   LIG    1        2.153  -2.783  -0.061  0.00  0.00    +0.058 A 
ATOM      3  C   LIG    1        3.213  -3.708  -0.047  0.00  0.00    +0.015 A 
ATOM      4  C   LIG    1        3.067  -4.955  -0.651  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1        1.863  -5.288  -1.261  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        0.794  -4.386  -1.257  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -1.405  -2.307  -1.188  0.00  0.00    +0.248 C 
ATOM      8  N   LIG    1       -0.163  -2.211  -0.595  0.00  0.00    -0.281 N 
ATOM      9  H   LIG    1        0.029  -1.374  -0.043  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1       -1.765  -3.168  -1.983  0.00  0.00    -0.270 OA
BRANCH   7  14
ATOM     11  C   LIG    1       -4.234   0.848  -0.277  0.00  0.00    -0.042 A 
ATOM     12  C   LIG    1       -3.261   0.458   0.665  0.00  0.00    +0.005 A 
ATOM     13  C   LIG    1       -2.339  -0.560   0.392  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1       -2.362  -1.213  -0.842  0.00  0.00    +0.037 A 
ATOM     15  C   LIG    1       -3.331  -0.853  -1.782  0.00  0.00    +0.013 A 
ATOM     16  C   LIG    1       -4.251   0.166  -1.504  0.00  0.00    +0.005 A 
BRANCH  11  18
ATOM     17  C   LIG    1       -4.458   3.274   0.371  0.00  0.00    +0.015 C 
ATOM     18  C   LIG    1       -5.230   1.972   0.062  0.00  0.00    -0.013 C 
ATOM     19  C   LIG    1       -6.224   2.291  -1.077  0.00  0.00    +0.015 C 
ATOM     20  C   LIG    1       -6.064   1.571   1.298  0.00  0.00    +0.015 C 
ENDBRANCH  11  18
ENDBRANCH   7  14
ENDBRANCH   1   8
BRANCH   2  21
ATOM     21  C   LIG    1        2.346  -1.437   0.563  0.00  0.00    +0.250 C 
ATOM     22  N   LIG    1        3.604  -0.883   0.393  0.00  0.00    -0.281 N 
ATOM     23  H   LIG    1        4.235  -1.368  -0.233  0.00  0.00    +0.155 HD
ATOM     24  O   LIG    1        1.389  -0.904   1.116  0.00  0.00    -0.270 OA
BRANCH  22  25
ATOM     25  C   LIG    1        4.074   0.343   0.908  0.00  0.00    +0.035 A 
ATOM     26  C   LIG    1        5.349   0.758   0.509  0.00  0.00    +0.039 A 
ATOM     27  C   LIG    1        5.892   1.967   0.977  0.00  0.00    +0.079 A 
ATOM     28  C   LIG    1        5.174   2.755   1.879  0.00  0.00    +0.055 A 
ATOM     29 CL   LIG    1        5.803   4.196   2.592  0.00  0.00    -0.083 Cl
ATOM     30  C   LIG    1        3.902   2.340   2.280  0.00  0.00    +0.022 A 
ATOM     31  C   LIG    1        3.355   1.145   1.795  0.00  0.00    +0.025 A 
BRANCH  27  32
ATOM     32  C   LIG    1        7.238   2.311   0.490  0.00  0.00    +0.338 C 
ATOM     33  O   LIG    1        8.170   1.535   0.399  0.00  0.00    -0.245 OA
BRANCH  32  34
ATOM     34  O   LIG    1        7.305   3.568   0.026  0.00  0.00    -0.477 OA
ATOM     35  H   LIG    1        8.226   3.672  -0.292  0.00  0.00    +0.295 HD
ENDBRANCH  32  34
ENDBRANCH  27  32
ENDBRANCH  22  25
ENDBRANCH   2  21
TORSDOF 7