REMARK  Name = BDB007855
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.597   1.135  -0.008  0.00  0.00    +0.125 A 
ATOM      2  N   LIG    1        1.346   1.561  -0.272  0.00  0.00    -0.233 NA
ATOM      3  C   LIG    1        0.312   0.688  -0.116  0.00  0.00    +0.082 A 
ATOM      4  C   LIG    1       -1.064   1.169  -0.448  0.00  0.00    +0.166 C 
ATOM      5  N   LIG    1       -2.079   0.484   0.329  0.00  0.00    -0.279 N 
ATOM      6  C   LIG    1       -1.998  -0.900   0.501  0.00  0.00    +0.314 C 
ATOM      7  N   LIG    1       -0.705  -1.459   0.411  0.00  0.00    -0.222 N 
ATOM      8  O   LIG    1       -3.018  -1.556   0.718  0.00  0.00    -0.252 OA
ATOM      9  C   LIG    1        0.458  -0.635   0.273  0.00  0.00    +0.066 A 
ATOM     10  C   LIG    1        1.759  -1.036   0.584  0.00  0.00    +0.029 A 
ATOM     11  C   LIG    1        2.835  -0.150   0.443  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1       -0.533  -2.879   0.512  0.00  0.00    +0.043 A 
ATOM     13  C   LIG    1       -1.224  -3.624   1.479  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1       -1.068  -5.013   1.564  0.00  0.00    +0.022 A 
ATOM     15  C   LIG    1       -0.229  -5.671   0.671  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1       -0.035  -7.377   0.775  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1        0.452  -4.956  -0.309  0.00  0.00    +0.022 A 
ATOM     18  C   LIG    1        0.296  -3.568  -0.391  0.00  0.00    +0.025 A 
ENDBRANCH   7  12
BRANCH   1  20
ATOM     19  C   LIG    1        4.898   2.224  -0.211  0.00  0.00    +0.235 C 
ATOM     20  N   LIG    1        3.544   2.133  -0.203  0.00  0.00    -0.269 N 
ATOM     21  H   LIG    1        3.106   3.020  -0.421  0.00  0.00    +0.156 HD
ATOM     22  O   LIG    1        5.384   3.357  -0.344  0.00  0.00    -0.274 OA
BRANCH  19  23
ATOM     23  C   LIG    1        5.823   1.004  -0.046  0.00  0.00    +0.137 C 
ATOM     24  C   LIG    1        6.137   0.846   1.442  0.00  0.00    +0.034 C 
BRANCH  23  26
ATOM     25  C   LIG    1        8.053   0.210  -0.731  0.00  0.00    +0.101 C 
ATOM     26  N   LIG    1        7.022   1.219  -0.886  0.00  0.00    -0.309 NA
ATOM     27  H   LIG    1        7.394   2.152  -0.688  0.00  0.00    +0.122 HD
ENDBRANCH  23  26
ENDBRANCH  19  23
ENDBRANCH   1  20
BRANCH   5  28
ATOM     28  C   LIG    1       -3.398   1.114   0.406  0.00  0.00    +0.114 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -4.215   0.969  -0.884  0.00  0.00    +0.054 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -5.572   1.615  -0.757  0.00  0.00    -0.046 A 
ATOM     31  C   LIG    1       -6.641   0.904  -0.196  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -7.893   1.504  -0.058  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -8.087   2.819  -0.474  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -7.028   3.537  -1.029  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1       -5.775   2.939  -1.168  0.00  0.00    +0.004 A 
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH   5  28
TORSDOF 7