REMARK  Name = BDB060543
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.063  -0.984   0.179  0.00  0.00    +0.161 A 
ATOM      2  N   LIG    1        2.292   0.053  -0.689  0.00  0.00    -0.342 N 
ATOM      3  H   LIG    1        3.203   0.369  -0.986  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1        1.084   0.520  -1.129  0.00  0.00    +0.112 A 
ATOM      5  C   LIG    1        0.143  -0.275  -0.510  0.00  0.00    +0.089 A 
ATOM      6  N   LIG    1        0.769  -1.208   0.288  0.00  0.00    -0.226 NA
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        4.596  -1.530   0.874  0.00  0.00    +0.081 A 
ATOM      8  C   LIG    1        3.197  -1.802   0.901  0.00  0.00    +0.149 A 
ATOM      9  N   LIG    1        2.930  -2.902   1.619  0.00  0.00    -0.169 NA
ATOM     10  N   LIG    1        4.133  -3.343   2.005  0.00  0.00    -0.282 N 
ATOM     11  H   LIG    1        4.173  -4.184   2.573  0.00  0.00    +0.188 HD
ATOM     12  C   LIG    1        5.168  -2.559   1.581  0.00  0.00    +0.129 A 
BRANCH   7  13
ATOM     13  N   LIG    1        5.217  -0.448   0.345  0.00  0.00    -0.296 N 
ATOM     14  H   LIG    1        4.818   0.470   0.538  0.00  0.00    +0.154 HD
BRANCH  13  18
ATOM     15  C   LIG    1        8.592   2.789  -0.467  0.00  0.00    +0.088 C 
ATOM     16  C   LIG    1        8.188   1.349  -0.413  0.00  0.00    +0.130 A 
ATOM     17  N   LIG    1        6.919   1.068  -0.063  0.00  0.00    -0.217 NA
ATOM     18  C   LIG    1        6.550  -0.225  -0.021  0.00  0.00    +0.128 A 
ATOM     19  C   LIG    1        7.413  -1.235  -0.372  0.00  0.00    +0.084 A 
ATOM     20  C   LIG    1        8.675  -0.836  -0.728  0.00  0.00    +0.135 A 
ATOM     21 CL   LIG    1        9.858  -1.990  -1.190  0.00  0.00    -0.062 Cl
ATOM     22  N   LIG    1        9.099   0.434  -0.759  0.00  0.00    -0.221 NA
ENDBRANCH  13  18
ENDBRANCH   7  13
ENDBRANCH   1   8
BRANCH   5  23
ATOM     23  C   LIG    1       -1.304  -0.192  -0.650  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -1.924   0.755  -1.476  0.00  0.00    +0.010 A 
ATOM     25  C   LIG    1       -3.319   0.807  -1.587  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -4.127  -0.084  -0.867  0.00  0.00    -0.033 A 
ATOM     27  C   LIG    1       -3.508  -1.036  -0.047  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -2.115  -1.086   0.061  0.00  0.00    +0.010 A 
BRANCH  26  29
ATOM     29  C   LIG    1       -5.634  -0.042  -1.006  0.00  0.00    +0.119 C 
BRANCH  29  30
ATOM     30  N   LIG    1       -6.342   0.002   0.282  0.00  0.00    -0.294 NA
ATOM     31  C   LIG    1       -6.161   1.282   1.001  0.00  0.00    +0.113 C 
ATOM     32  C   LIG    1       -7.351   2.243   0.851  0.00  0.00    +0.175 C 
ATOM     33  O   LIG    1       -8.591   1.691   1.314  0.00  0.00    -0.377 OA
ATOM     34  C   LIG    1       -8.631   0.259   1.241  0.00  0.00    +0.175 C 
ATOM     35  C   LIG    1       -7.778  -0.293   0.091  0.00  0.00    +0.113 C 
ENDBRANCH  29  30
ENDBRANCH  26  29
ENDBRANCH   5  23
TORSDOF 6