REMARK  Name = BDB033676
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.519  -0.426   2.035  0.00  0.00    +0.270 C 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1       -1.201  -1.725   0.667  0.00  0.00    +0.129 A 
ATOM      3  C   LIG    1        0.076  -1.642   1.252  0.00  0.00    +0.031 A 
ATOM      4  C   LIG    1        0.979  -2.710   1.092  0.00  0.00    +0.012 A 
ATOM      5  C   LIG    1        0.617  -3.844   0.367  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1       -0.651  -3.920  -0.199  0.00  0.00    +0.044 A 
ATOM      7 CL   LIG    1       -1.106  -5.324  -1.087  0.00  0.00    -0.083 Cl
ATOM      8  C   LIG    1       -1.561  -2.872  -0.051  0.00  0.00    +0.066 A 
BRANCH   2   9
ATOM      9  O   LIG    1       -2.026  -0.652   0.873  0.00  0.00    -0.487 OA
BRANCH   9  10
ATOM     10  C   LIG    1       -3.184  -0.537   0.041  0.00  0.00    +0.264 C 
BRANCH  10  13
ATOM     11  C   LIG    1       -4.765   0.844  -2.110  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1       -4.628   1.430  -0.729  0.00  0.00    -0.044 A 
ATOM     13  C   LIG    1       -3.869   0.797   0.282  0.00  0.00    -0.007 A 
ATOM     14  C   LIG    1       -3.818   1.388   1.559  0.00  0.00    +0.007 A 
ATOM     15  C   LIG    1       -4.460   2.597   1.821  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -5.179   3.232   0.814  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -5.263   2.653  -0.451  0.00  0.00    +0.004 A 
ENDBRANCH  10  13
ENDBRANCH   9  10
ENDBRANCH   2   9
ENDBRANCH   1   3
BRANCH   1  18
ATOM     18  O   LIG    1        1.619   0.211   1.381  0.00  0.00    -0.471 OA
BRANCH  18  19
ATOM     19  C   LIG    1        1.346   1.134   0.451  0.00  0.00    +0.220 A 
ATOM     20  N   LIG    1        2.315   1.563  -0.470  0.00  0.00    -0.182 N 
ATOM     21  N   LIG    1        1.846   2.608  -1.218  0.00  0.00    -0.170 NA
ATOM     22  C   LIG    1        0.578   2.756  -0.847  0.00  0.00    +0.138 A 
ATOM     23  C   LIG    1        0.212   1.874   0.175  0.00  0.00    +0.088 A 
BRANCH  20  24
ATOM     24  C   LIG    1        3.641   1.050  -0.721  0.00  0.00    +0.158 A 
ATOM     25  N   LIG    1        4.447   1.754  -1.569  0.00  0.00    -0.236 NA
ATOM     26  C   LIG    1        5.683   1.283  -1.834  0.00  0.00    +0.114 A 
ATOM     27  C   LIG    1        6.183   0.114  -1.301  0.00  0.00    +0.035 A 
ATOM     28  C   LIG    1        5.356  -0.611  -0.448  0.00  0.00    +0.064 A 
ATOM     29  C   LIG    1        4.071  -0.141  -0.149  0.00  0.00    +0.063 A 
BRANCH  28  30
ATOM     30  C   LIG    1        5.782  -1.894   0.157  0.00  0.00    +0.337 C 
ATOM     31  O   LIG    1        5.091  -2.614   0.855  0.00  0.00    -0.245 OA
BRANCH  30  32
ATOM     32  O   LIG    1        7.054  -2.210  -0.138  0.00  0.00    -0.477 OA
ATOM     33  H   LIG    1        7.202  -3.064   0.321  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  28  30
ENDBRANCH  20  24
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 9