REMARK  Name = BDB004673
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.705  -1.183  -0.711  0.00  0.00    +0.063 A 
ATOM      2  C   LIG    1        2.808  -0.195  -0.252  0.00  0.00    +0.088 A 
ATOM      3  C   LIG    1        1.433  -0.499  -0.282  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1        0.552   0.507   0.168  0.00  0.00    +0.130 A 
ATOM      5  N   LIG    1        0.991   1.683   0.642  0.00  0.00    -0.220 NA
ATOM      6  C   LIG    1        2.308   1.874   0.638  0.00  0.00    +0.223 A 
ATOM      7  C   LIG    1        0.993  -1.768  -0.738  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1        1.892  -2.727  -1.182  0.00  0.00    +0.002 A 
ATOM      9  N   LIG    1        3.231   1.005   0.208  0.00  0.00    -0.235 NA
ATOM     10  C   LIG    1        3.245  -2.433  -1.172  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1        5.703   0.199  -0.328  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1        5.095   0.934   0.021  0.00  0.00    +0.145 HD
ATOM     13  H   LIG    1        6.704   0.329  -0.329  0.00  0.00    +0.145 HD
ATOM     14  C   LIG    1        5.189  -0.993  -0.744  0.00  0.00    +0.244 C 
ATOM     15  O   LIG    1        5.942  -1.879  -1.135  0.00  0.00    -0.270 OA
ENDBRANCH   1  14
BRANCH   4  16
ATOM     16  N   LIG    1       -0.840   0.268   0.146  0.00  0.00    -0.324 N 
ATOM     17  H   LIG    1       -1.104   0.002  -0.799  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -1.661   1.382   0.607  0.00  0.00    +0.139 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.117   0.976   0.549  0.00  0.00    -0.012 A 
ATOM     20  C   LIG    1       -3.871   1.031  -0.634  0.00  0.00    +0.046 A 
ATOM     21 CL   LIG    1       -3.183   1.560  -2.128  0.00  0.00    -0.083 Cl
ATOM     22  C   LIG    1       -5.213   0.637  -0.642  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1       -5.816   0.172   0.527  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -5.076   0.095   1.704  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -3.737   0.488   1.714  0.00  0.00    +0.006 A 
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   4  16
TORSDOF 4