REMARK  Name = BDB005945
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.839  -2.512   3.601  0.00  0.00    +0.146 A 
ATOM      2  C   LIG    1       -0.761  -2.104   2.788  0.00  0.00    +0.114 A 
ATOM      3  N   LIG    1        0.410  -2.762   2.880  0.00  0.00    -0.250 NA
ATOM      4  C   LIG    1        1.471  -2.317   2.184  0.00  0.00    +0.127 A 
ATOM      5  C   LIG    1        1.405  -1.264   1.296  0.00  0.00    +0.082 A 
ATOM      6  C   LIG    1        0.188  -0.649   1.061  0.00  0.00    +0.070 A 
ATOM      7  N   LIG    1        0.137   0.271  -0.043  0.00  0.00    -0.289 N 
ATOM      8  C   LIG    1        1.306   0.860  -0.569  0.00  0.00    +0.337 A 
ATOM      9  O   LIG    1        1.208   1.753  -1.413  0.00  0.00    -0.246 OA
ATOM     10  N   LIG    1        2.534   0.377  -0.097  0.00  0.00    -0.228 N 
ATOM     11  C   LIG    1        2.619  -0.812   0.626  0.00  0.00    +0.270 A 
ATOM     12  O   LIG    1        3.618  -1.523   0.731  0.00  0.00    -0.266 OA
ATOM     13  C   LIG    1       -0.915  -0.994   1.915  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1       -2.126  -0.263   2.020  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1       -3.178  -0.666   2.839  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -3.044  -1.805   3.613  0.00  0.00    +0.048 A 
ENDROOT
BRANCH  10  17
ATOM     17  C   LIG    1        3.781   0.971  -0.546  0.00  0.00    +0.056 A 
ATOM     18  C   LIG    1        3.930   1.580  -1.802  0.00  0.00    +0.046 A 
ATOM     19  C   LIG    1        5.149   2.152  -2.184  0.00  0.00    +0.043 A 
ATOM     20 CL   LIG    1        5.300   2.877  -3.740  0.00  0.00    -0.083 Cl
ATOM     21  C   LIG    1        6.245   2.133  -1.329  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1        6.123   1.534  -0.081  0.00  0.00    +0.003 A 
ATOM     23  C   LIG    1        4.906   0.960   0.303  0.00  0.00    +0.026 A 
ENDBRANCH  10  17
BRANCH   7  24
ATOM     24  C   LIG    1       -1.098   0.363  -0.869  0.00  0.00    +0.092 C 
ATOM     25  C   LIG    1       -0.905  -0.246  -2.277  0.00  0.00    +0.026 C 
ATOM     26  C   LIG    1       -2.212  -0.232  -3.073  0.00  0.00    +0.017 C 
ATOM     27  C   LIG    1       -2.841   1.167  -3.163  0.00  0.00    +0.098 C 
ATOM     28  C   LIG    1       -3.000   1.778  -1.761  0.00  0.00    +0.017 C 
ATOM     29  C   LIG    1       -1.686   1.784  -0.974  0.00  0.00    +0.026 C 
BRANCH  27  30
ATOM     30  C   LIG    1       -2.098   2.122  -4.086  0.00  0.00    +0.308 C 
ATOM     31  O   LIG    1       -2.097   3.340  -4.009  0.00  0.00    -0.251 OA
BRANCH  30  32
ATOM     32  O   LIG    1       -1.455   1.514  -5.098  0.00  0.00    -0.480 OA
ATOM     33  H   LIG    1       -1.039   2.255  -5.590  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  27  30
ENDBRANCH   7  24
BRANCH   1  35
ATOM     34  C   LIG    1       -2.655  -4.083   5.225  0.00  0.00    +0.277 C 
ATOM     35  O   LIG    1       -1.609  -3.628   4.379  0.00  0.00    -0.493 OA
ENDBRANCH   1  35
TORSDOF 5