REMARK  Name = BDB013835
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.728   0.593  -0.312  0.00  0.00    +0.082 A 
ATOM      2  C   LIG    1       -1.805  -0.343   0.199  0.00  0.00    +0.060 A 
ATOM      3  C   LIG    1       -2.377  -1.499   0.738  0.00  0.00    +0.134 A 
ATOM      4  N   LIG    1       -3.701  -1.797   0.749  0.00  0.00    -0.261 NA
ATOM      5  C   LIG    1       -4.534  -0.878   0.232  0.00  0.00    +0.111 A 
ATOM      6  C   LIG    1       -4.103   0.321  -0.297  0.00  0.00    +0.036 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1       -3.101   2.837  -1.095  0.00  0.00    -0.245 OA
ATOM      8  C   LIG    1       -2.345   1.902  -0.902  0.00  0.00    +0.339 C 
BRANCH   8   9
ATOM      9  O   LIG    1       -1.055   1.974  -1.287  0.00  0.00    -0.477 OA
ATOM     10  H   LIG    1       -0.981   2.879  -1.660  0.00  0.00    +0.295 HD
ENDBRANCH   8   9
ENDBRANCH   1   8
BRANCH   2  11
ATOM     11  N   LIG    1       -0.432  -0.060   0.300  0.00  0.00    -0.338 N 
ATOM     12  H   LIG    1       -0.177   0.677  -0.368  0.00  0.00    +0.146 HD
BRANCH  11  13
ATOM     13  C   LIG    1        0.519  -1.163   0.278  0.00  0.00    +0.137 C 
BRANCH  13  14
ATOM     14  C   LIG    1        1.919  -0.605   0.155  0.00  0.00    -0.030 A 
ATOM     15  C   LIG    1        2.627  -0.701  -1.052  0.00  0.00    +0.006 A 
ATOM     16  C   LIG    1        3.914  -0.171  -1.161  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        4.498   0.464  -0.067  0.00  0.00    +0.041 A 
ATOM     18 CL   LIG    1        6.083   1.119  -0.204  0.00  0.00    -0.084 Cl
ATOM     19  C   LIG    1        3.805   0.576   1.136  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1        2.518   0.045   1.246  0.00  0.00    +0.006 A 
ENDBRANCH  13  14
ENDBRANCH  11  13
ENDBRANCH   2  11
TORSDOF 5