REMARK  Name = BDB008236
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.522   0.205   1.025  0.00  0.00    +0.128 A 
ATOM      2  N   LIG    1        0.044  -0.734   0.243  0.00  0.00    -0.217 NA
ATOM      3  C   LIG    1        0.794  -0.348  -0.800  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1        1.006   0.990  -1.099  0.00  0.00    +0.052 A 
ATOM      5  C   LIG    1        0.422   1.971  -0.291  0.00  0.00    -0.008 A 
ATOM      6  C   LIG    1       -0.356   1.560   0.795  0.00  0.00    +0.052 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1        0.619   3.396  -0.582  0.00  0.00    +0.024 A 
ATOM      8  C   LIG    1       -0.207   4.103  -1.462  0.00  0.00    +0.049 A 
ATOM      9  C   LIG    1       -1.371   3.446  -2.151  0.00  0.00    +0.066 C 
ATOM     10  N   LIG    1       -0.023   5.412  -1.756  0.00  0.00    -0.240 NA
ATOM     11  C   LIG    1        1.001   6.021  -1.147  0.00  0.00    +0.221 A 
ATOM     12  N   LIG    1        1.854   5.454  -0.286  0.00  0.00    -0.240 NA
ATOM     13  C   LIG    1        1.651   4.145  -0.008  0.00  0.00    +0.049 A 
ATOM     14  C   LIG    1        2.617   3.537   0.971  0.00  0.00    +0.066 C 
ENDBRANCH   5   7
BRANCH   1  16
ATOM     15  C   LIG    1       -2.037   0.326   3.013  0.00  0.00    +0.235 C 
ATOM     16  N   LIG    1       -1.272  -0.322   2.069  0.00  0.00    -0.269 N 
ATOM     17  H   LIG    1       -1.329  -1.338   2.069  0.00  0.00    +0.156 HD
ATOM     18  O   LIG    1       -2.168   1.542   3.117  0.00  0.00    -0.274 OA
BRANCH  15  19
ATOM     19  C   LIG    1       -2.682  -0.670   4.015  0.00  0.00    +0.137 C 
ATOM     20  C   LIG    1       -3.876  -0.024   4.715  0.00  0.00    +0.034 C 
BRANCH  19  22
ATOM     21  C   LIG    1       -3.246  -3.043   4.177  0.00  0.00    +0.101 C 
ATOM     22  N   LIG    1       -3.054  -1.907   3.286  0.00  0.00    -0.309 NA
ATOM     23  H   LIG    1       -3.913  -1.739   2.758  0.00  0.00    +0.122 HD
ENDBRANCH  19  22
ENDBRANCH  15  19
ENDBRANCH   1  16
BRANCH   3  24
ATOM     24  N   LIG    1        1.394  -1.294  -1.633  0.00  0.00    -0.265 N 
ATOM     25  H   LIG    1        1.953  -0.972  -2.416  0.00  0.00    +0.157 HD
ATOM     26  C   LIG    1        1.309  -2.665  -1.504  0.00  0.00    +0.268 C 
ATOM     27  O   LIG    1        0.705  -3.308  -0.655  0.00  0.00    -0.268 OA
BRANCH  26  28
ATOM     28  C   LIG    1        2.078  -3.387  -2.571  0.00  0.00    +0.126 A 
ATOM     29  N   LIG    1        2.718  -2.598  -3.487  0.00  0.00    -0.249 NA
ATOM     30  C   LIG    1        3.414  -3.252  -4.451  0.00  0.00    +0.131 A 
ATOM     31  C   LIG    1        3.503  -4.635  -4.544  0.00  0.00    +0.059 A 
ATOM     32 CL   LIG    1        4.409  -5.376  -5.798  0.00  0.00    -0.082 Cl
ATOM     33  C   LIG    1        2.842  -5.409  -3.596  0.00  0.00    +0.024 A 
ATOM     34  C   LIG    1        2.114  -4.778  -2.588  0.00  0.00    +0.034 A 
ENDBRANCH  26  28
ENDBRANCH   3  24
TORSDOF 6