REMARK  Name = BDB062933
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.371  -2.310  -1.595  0.00  0.00    +0.162 C 
ATOM      2  N   LIG    1       -0.704  -1.862  -0.675  0.00  0.00    -0.289 N 
ATOM      3  C   LIG    1       -1.351  -0.668  -0.958  0.00  0.00    +0.227 C 
ATOM      4  O   LIG    1       -1.010  -0.049  -1.973  0.00  0.00    -0.275 OA
ATOM      5  C   LIG    1       -1.205  -2.993   0.095  0.00  0.00    +0.108 C 
ATOM      6  C   LIG    1       -0.699  -4.222  -0.643  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1        0.640  -3.760  -1.186  0.00  0.00    +0.033 C 
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1       -2.476  -0.084  -0.033  0.00  0.00    +0.072 C 
ATOM      9  C   LIG    1       -2.344  -0.401   1.488  0.00  0.00    +0.021 C 
ATOM     10  C   LIG    1       -3.595  -1.181   1.894  0.00  0.00    +0.001 C 
ATOM     11  C   LIG    1       -4.629  -0.837   0.838  0.00  0.00    +0.001 C 
ATOM     12  C   LIG    1       -3.815  -0.747  -0.444  0.00  0.00    +0.021 C 
BRANCH   8  13
ATOM     13  C   LIG    1       -2.456   1.469  -0.131  0.00  0.00    -0.031 A 
ATOM     14  C   LIG    1       -1.247   2.152   0.135  0.00  0.00    +0.024 A 
ATOM     15  C   LIG    1       -1.175   3.545   0.090  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1        0.317   4.331   0.435  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1       -2.301   4.297  -0.218  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1       -3.505   3.647  -0.481  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1       -3.583   2.250  -0.435  0.00  0.00    +0.005 A 
ENDBRANCH   8  13
ENDBRANCH   3   8
BRANCH   1  21
ATOM     20  O   LIG    1        2.567  -1.643  -2.342  0.00  0.00    -0.273 OA
ATOM     21  C   LIG    1        1.687  -1.506  -1.496  0.00  0.00    +0.238 C 
ATOM     22  N   LIG    1        1.791  -0.776  -0.323  0.00  0.00    -0.284 N 
ATOM     23  H   LIG    1        0.971  -0.813   0.269  0.00  0.00    +0.155 HD
BRANCH  22  24
ATOM     24  C   LIG    1        2.839   0.070   0.084  0.00  0.00    +0.036 A 
ATOM     25  C   LIG    1        4.007   0.267  -0.662  0.00  0.00    +0.051 A 
ATOM     26  C   LIG    1        4.942   1.135  -0.146  0.00  0.00    +0.069 A 
ATOM     27  C   LIG    1        4.757   1.802   1.062  0.00  0.00    +0.067 A 
ATOM     28  N   LIG    1        5.875   2.596   1.290  0.00  0.00    -0.306 N 
ATOM     29  H   LIG    1        6.044   3.207   2.071  0.00  0.00    +0.170 HD
ATOM     30  C   LIG    1        6.769   2.432   0.222  0.00  0.00    +0.325 A 
ATOM     31  O   LIG    1        7.850   2.978   0.090  0.00  0.00    -0.247 OA
ATOM     32  C   LIG    1        3.627   1.635   1.820  0.00  0.00    +0.029 A 
ATOM     33  N   LIG    1        6.176   1.519  -0.661  0.00  0.00    -0.306 N 
ATOM     34  H   LIG    1        6.592   1.217  -1.527  0.00  0.00    +0.170 HD
ATOM     35  C   LIG    1        2.660   0.753   1.317  0.00  0.00    +0.025 A 
ENDBRANCH  22  24
ENDBRANCH   1  21
TORSDOF 4