REMARK  Name = BDB044612
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.930  -3.141  -0.312  0.00  0.00    +0.047 A 
ATOM      2  C   LIG    1        2.186  -2.711   0.183  0.00  0.00    +0.058 A 
ATOM      3  C   LIG    1        3.262  -3.614   0.262  0.00  0.00    +0.016 A 
ATOM      4  C   LIG    1        3.110  -4.926  -0.185  0.00  0.00    +0.021 A 
ATOM      5  C   LIG    1        1.885  -5.341  -0.699  0.00  0.00    +0.043 A 
ATOM      6 CL   LIG    1        1.705  -6.963  -1.247  0.00  0.00    -0.083 Cl
ATOM      7  C   LIG    1        0.801  -4.462  -0.760  0.00  0.00    +0.044 A 
ENDROOT
BRANCH   1   9
ATOM      8  C   LIG    1       -1.419  -2.404  -0.851  0.00  0.00    +0.248 C 
ATOM      9  N   LIG    1       -0.157  -2.230  -0.318  0.00  0.00    -0.281 N 
ATOM     10  H   LIG    1        0.043  -1.332   0.125  0.00  0.00    +0.155 HD
ATOM     11  O   LIG    1       -1.790  -3.356  -1.528  0.00  0.00    -0.270 OA
BRANCH   8  15
ATOM     12  C   LIG    1       -4.261   0.804  -0.209  0.00  0.00    -0.042 A 
ATOM     13  C   LIG    1       -3.244   0.544   0.731  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1       -2.316  -0.489   0.545  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1       -2.378  -1.288  -0.599  0.00  0.00    +0.037 A 
ATOM     16  C   LIG    1       -3.391  -1.057  -1.533  0.00  0.00    +0.013 A 
ATOM     17  C   LIG    1       -4.316  -0.023  -1.342  0.00  0.00    +0.005 A 
BRANCH  12  19
ATOM     18  C   LIG    1       -4.500   3.288   0.148  0.00  0.00    +0.015 C 
ATOM     19  C   LIG    1       -5.261   1.949   0.033  0.00  0.00    -0.013 C 
ATOM     20  C   LIG    1       -6.306   2.115  -1.093  0.00  0.00    +0.015 C 
ATOM     21  C   LIG    1       -6.037   1.692   1.343  0.00  0.00    +0.015 C 
ENDBRANCH  12  19
ENDBRANCH   8  15
ENDBRANCH   1   9
BRANCH   2  22
ATOM     22  C   LIG    1        2.380  -1.299   0.642  0.00  0.00    +0.250 C 
ATOM     23  N   LIG    1        3.620  -0.752   0.361  0.00  0.00    -0.281 N 
ATOM     24  H   LIG    1        4.239  -1.292  -0.232  0.00  0.00    +0.155 HD
ATOM     25  O   LIG    1        1.433  -0.724   1.170  0.00  0.00    -0.270 OA
BRANCH  23  26
ATOM     26  C   LIG    1        4.088   0.533   0.712  0.00  0.00    +0.034 A 
ATOM     27  C   LIG    1        5.343   0.912   0.219  0.00  0.00    +0.038 A 
ATOM     28  C   LIG    1        5.882   2.170   0.527  0.00  0.00    +0.061 A 
ATOM     29  C   LIG    1        5.163   3.054   1.336  0.00  0.00    +0.015 A 
ATOM     30  C   LIG    1        3.917   2.680   1.834  0.00  0.00    +0.003 A 
ATOM     31  C   LIG    1        3.383   1.425   1.524  0.00  0.00    +0.023 A 
BRANCH  28  32
ATOM     32  C   LIG    1        7.206   2.602   0.019  0.00  0.00    +0.337 C 
ATOM     33  O   LIG    1        7.739   3.674   0.237  0.00  0.00    -0.245 OA
BRANCH  32  34
ATOM     34  O   LIG    1        7.804   1.668  -0.741  0.00  0.00    -0.477 OA
ATOM     35  H   LIG    1        8.650   2.089  -1.002  0.00  0.00    +0.295 HD
ENDBRANCH  32  34
ENDBRANCH  28  32
ENDBRANCH  23  26
ENDBRANCH   2  22
TORSDOF 7