REMARK  Name = BDB030840
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.710  -3.338   0.504  0.00  0.00    +0.029 C 
ATOM      2  C   LIG    1       -2.352  -1.992   0.170  0.00  0.00    +0.084 C 
ATOM      3  N   LIG    1       -1.537  -0.917   0.743  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -0.588  -1.200   0.958  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -1.664   0.399   0.296  0.00  0.00    +0.054 A 
ATOM      6  C   LIG    1       -0.413   1.102  -0.125  0.00  0.00    +0.022 A 
ATOM      7  C   LIG    1       -0.437   2.483  -0.375  0.00  0.00    +0.054 A 
ATOM      8  N   LIG    1       -1.677   3.176  -0.350  0.00  0.00    -0.310 N 
ATOM      9  C   LIG    1       -2.881   2.505  -0.184  0.00  0.00    +0.266 A 
ATOM     10  O   LIG    1       -3.964   3.046  -0.412  0.00  0.00    -0.267 OA
ATOM     11  C   LIG    1       -1.730   4.596  -0.674  0.00  0.00    +0.152 C 
ATOM     12  C   LIG    1        0.758   3.146  -0.702  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1        1.963   2.450  -0.816  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1        2.006   1.072  -0.628  0.00  0.00    +0.032 A 
ATOM     15  C   LIG    1        0.814   0.418  -0.288  0.00  0.00    +0.035 A 
ATOM     16  C   LIG    1       -2.829   1.082   0.271  0.00  0.00    +0.122 A 
ATOM     17  C   LIG    1       -4.104   0.508   0.796  0.00  0.00    +0.251 C 
ATOM     18  O   LIG    1       -4.857   1.151   1.527  0.00  0.00    -0.270 OA
ATOM     19  N   LIG    1       -4.520  -0.732   0.379  0.00  0.00    -0.309 N 
ATOM     20  H   LIG    1       -5.486  -0.815   0.675  0.00  0.00    +0.149 HD
ATOM     21  C   LIG    1       -3.772  -1.927   0.738  0.00  0.00    +0.126 C 
ENDROOT
BRANCH  14  22
ATOM     22  N   LIG    1        3.241   0.405  -0.731  0.00  0.00    -0.313 N 
ATOM     23  H   LIG    1        3.885   0.856  -1.379  0.00  0.00    +0.152 HD
BRANCH  22  24
ATOM     24  C   LIG    1        3.718  -0.775  -0.115  0.00  0.00    +0.053 A 
ATOM     25  C   LIG    1        4.648  -1.612  -0.760  0.00  0.00    +0.110 A 
ATOM     26  C   LIG    1        5.032  -2.781  -0.117  0.00  0.00    +0.148 A 
ATOM     27 CL   LIG    1        6.156  -3.901  -0.788  0.00  0.00    -0.061 Cl
ATOM     28  N   LIG    1        4.572  -3.174   1.092  0.00  0.00    -0.242 NA
ATOM     29  C   LIG    1        3.688  -2.360   1.696  0.00  0.00    +0.114 A 
ATOM     30  C   LIG    1        3.235  -1.177   1.138  0.00  0.00    +0.044 A 
BRANCH  25  31
ATOM     31  C   LIG    1        5.179  -1.274  -2.042  0.00  0.00    +0.104 C 
ATOM     32  N   LIG    1        5.591  -0.941  -3.074  0.00  0.00    -0.191 NA
ENDBRANCH  25  31
ENDBRANCH  22  24
ENDBRANCH  14  22
TORSDOF 3