REMARK  Name = BDB006622
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.228   0.447   1.563  0.00  0.00    +0.065 C 
ATOM      2  C   LIG    1        2.424  -0.305   0.573  0.00  0.00    +0.042 A 
ATOM      3  N   LIG    1        2.963  -1.108  -0.424  0.00  0.00    -0.265 N 
ATOM      4  N   LIG    1        2.019  -1.723  -1.190  0.00  0.00    -0.166 NA
ATOM      5  C   LIG    1        0.881  -1.267  -0.679  0.00  0.00    +0.153 A 
ATOM      6  C   LIG    1       -0.524  -1.470  -0.951  0.00  0.00    +0.272 C 
ATOM      7  N   LIG    1       -1.206  -0.673   0.024  0.00  0.00    -0.253 N 
ATOM      8  C   LIG    1       -0.239   0.069   0.897  0.00  0.00    +0.146 C 
ATOM      9  O   LIG    1       -0.989  -2.187  -1.823  0.00  0.00    -0.268 OA
ATOM     10  C   LIG    1        1.067  -0.393   0.382  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1       -2.594  -0.609   0.185  0.00  0.00    +0.055 A 
ATOM     12  C   LIG    1       -3.468  -1.207  -0.649  0.00  0.00    +0.112 A 
ATOM     13  N   LIG    1       -4.845  -1.131  -0.488  0.00  0.00    -0.315 N 
ATOM     14  C   LIG    1       -5.688  -1.813  -1.460  0.00  0.00    +0.152 C 
ATOM     15  C   LIG    1       -5.444  -0.421   0.554  0.00  0.00    +0.270 A 
ATOM     16  O   LIG    1       -6.659  -0.331   0.713  0.00  0.00    -0.266 OA
ATOM     17  C   LIG    1       -4.485   0.237   1.493  0.00  0.00    +0.107 A 
ATOM     18 CL   LIG    1       -5.122   1.121   2.829  0.00  0.00    -0.078 Cl
ATOM     19  C   LIG    1       -3.162   0.133   1.303  0.00  0.00    +0.050 A 
ENDBRANCH   7  11
BRANCH   8  20
ATOM     20  C   LIG    1       -0.244   1.577   0.717  0.00  0.00    -0.022 A 
ATOM     21  C   LIG    1       -0.431   2.188  -0.538  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1       -0.429   3.580  -0.664  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1       -0.238   4.377   0.461  0.00  0.00    +0.041 A 
ATOM     24 CL   LIG    1       -0.233   6.090   0.305  0.00  0.00    -0.084 Cl
ATOM     25  C   LIG    1       -0.049   3.796   1.711  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1       -0.050   2.404   1.839  0.00  0.00    +0.007 A 
ENDBRANCH   8  20
BRANCH   3  27
ATOM     27  C   LIG    1        4.377  -1.352  -0.707  0.00  0.00    +0.101 C 
ATOM     28  C   LIG    1        4.739  -0.965  -2.141  0.00  0.00    +0.032 C 
ATOM     29  C   LIG    1        4.756  -2.802  -0.407  0.00  0.00    +0.032 C 
ENDBRANCH   3  27
TORSDOF 3