REMARK  Name = BDB007856
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.348   0.490  -0.054  0.00  0.00    +0.125 A 
ATOM      2  N   LIG    1        1.457  -0.445  -0.438  0.00  0.00    -0.233 NA
ATOM      3  C   LIG    1        0.174  -0.048  -0.665  0.00  0.00    +0.082 A 
ATOM      4  C   LIG    1       -0.801  -1.088  -1.113  0.00  0.00    +0.166 C 
ATOM      5  N   LIG    1       -2.163  -0.768  -0.736  0.00  0.00    -0.279 N 
ATOM      6  C   LIG    1       -2.631   0.541  -0.852  0.00  0.00    +0.314 C 
ATOM      7  N   LIG    1       -1.652   1.556  -0.822  0.00  0.00    -0.222 N 
ATOM      8  O   LIG    1       -3.839   0.758  -0.971  0.00  0.00    -0.252 OA
ATOM      9  C   LIG    1       -0.274   1.263  -0.564  0.00  0.00    +0.066 A 
ATOM     10  C   LIG    1        0.669   2.201  -0.135  0.00  0.00    +0.029 A 
ATOM     11  C   LIG    1        1.990   1.817   0.116  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1       -2.043   2.925  -0.996  0.00  0.00    +0.044 A 
ATOM     13  C   LIG    1       -3.166   3.445  -0.337  0.00  0.00    +0.044 A 
ATOM     14  C   LIG    1       -3.546   4.774  -0.529  0.00  0.00    +0.043 A 
ATOM     15 CL   LIG    1       -4.913   5.402   0.308  0.00  0.00    -0.083 Cl
ATOM     16  C   LIG    1       -2.828   5.602  -1.388  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1       -1.722   5.096  -2.067  0.00  0.00    +0.003 A 
ATOM     18  C   LIG    1       -1.336   3.766  -1.875  0.00  0.00    +0.024 A 
ENDBRANCH   7  12
BRANCH   1  20
ATOM     19  C   LIG    1        4.784   0.676   0.477  0.00  0.00    +0.235 C 
ATOM     20  N   LIG    1        3.627  -0.004   0.165  0.00  0.00    -0.269 N 
ATOM     21  H   LIG    1        3.739  -0.998  -0.017  0.00  0.00    +0.156 HD
ATOM     22  O   LIG    1        4.885   1.889   0.629  0.00  0.00    -0.274 OA
BRANCH  19  23
ATOM     23  C   LIG    1        5.978  -0.294   0.691  0.00  0.00    +0.137 C 
ATOM     24  C   LIG    1        7.303   0.442   0.502  0.00  0.00    +0.034 C 
BRANCH  23  26
ATOM     25  C   LIG    1        6.642  -2.589   0.178  0.00  0.00    +0.101 C 
ATOM     26  N   LIG    1        5.831  -1.449  -0.231  0.00  0.00    -0.309 NA
ATOM     27  H   LIG    1        6.112  -1.158  -1.170  0.00  0.00    +0.122 HD
ENDBRANCH  23  26
ENDBRANCH  19  23
ENDBRANCH   1  20
BRANCH   5  28
ATOM     28  C   LIG    1       -3.134  -1.860  -0.762  0.00  0.00    +0.113 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -3.803  -2.059   0.599  0.00  0.00    +0.006 C 
ATOM     30  C   LIG    1       -2.842  -2.523   1.693  0.00  0.00    +0.005 C 
ATOM     31  C   LIG    1       -3.756  -3.094   2.773  0.00  0.00    +0.000 C 
ATOM     32  C   LIG    1       -5.045  -3.509   2.063  0.00  0.00    +0.000 C 
ATOM     33  C   LIG    1       -4.841  -3.178   0.588  0.00  0.00    +0.005 C 
ENDBRANCH  28  29
ENDBRANCH   5  28
TORSDOF 6