REMARK  Name = BDB017689
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -6.363  -2.822   0.135  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1       -5.570  -1.885   0.129  0.00  0.00    +0.254 A 
ATOM      3  C   LIG    1       -5.944  -0.542  -0.392  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1       -7.351  -0.384  -0.906  0.00  0.00    +0.044 C 
ATOM      5  C   LIG    1       -7.540   0.903  -1.716  0.00  0.00    +0.023 C 
ATOM      6  C   LIG    1       -6.857   2.079  -1.030  0.00  0.00    +0.102 C 
ATOM      7  N   LIG    1       -5.451   1.758  -0.803  0.00  0.00    -0.343 N 
ATOM      8  H   LIG    1       -4.947   2.503  -0.330  0.00  0.00    +0.146 HD
ATOM      9  C   LIG    1       -5.071   0.485  -0.380  0.00  0.00    +0.045 A 
ATOM     10  C   LIG    1       -3.688   0.259   0.103  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -3.351  -1.003   0.614  0.00  0.00    +0.051 A 
ATOM     12  C   LIG    1       -2.070  -1.274   1.102  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1       -1.076  -0.286   1.067  0.00  0.00    -0.031 A 
ATOM     14  C   LIG    1       -1.395   0.970   0.538  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -2.683   1.237   0.057  0.00  0.00    +0.012 A 
ATOM     16  N   LIG    1       -4.305  -2.025   0.621  0.00  0.00    -0.322 N 
ATOM     17  H   LIG    1       -4.066  -2.944   0.968  0.00  0.00    +0.169 HD
ENDROOT
BRANCH  13  18
ATOM     18  C   LIG    1        0.313  -0.573   1.598  0.00  0.00    +0.119 C 
BRANCH  18  19
ATOM     19  N   LIG    1        0.942  -1.747   0.972  0.00  0.00    -0.295 NA
ATOM     20  C   LIG    1        1.265  -1.532  -0.458  0.00  0.00    +0.104 C 
ATOM     21  C   LIG    1        2.405  -0.527  -0.736  0.00  0.00    +0.125 C 
ATOM     22  N   LIG    1        3.604  -0.841   0.056  0.00  0.00    -0.283 N 
ATOM     23  C   LIG    1        3.377  -1.139   1.475  0.00  0.00    +0.125 C 
ATOM     24  C   LIG    1        2.195  -2.116   1.668  0.00  0.00    +0.104 C 
BRANCH  22  25
ATOM     25  C   LIG    1        4.726  -0.161  -0.282  0.00  0.00    +0.291 A 
ATOM     26  O   LIG    1        5.778  -0.197   0.598  0.00  0.00    -0.424 OA
ATOM     27  C   LIG    1        6.747   0.547  -0.004  0.00  0.00    +0.157 A 
ATOM     28  C   LIG    1        6.241   1.000  -1.210  0.00  0.00    +0.113 A 
ATOM     29  C   LIG    1        7.046   1.796  -2.033  0.00  0.00    +0.051 A 
ATOM     30  C   LIG    1        8.338   2.095  -1.582  0.00  0.00    +0.043 A 
ATOM     31  C   LIG    1        8.819   1.620  -0.354  0.00  0.00    +0.024 A 
ATOM     32 CL   LIG    1        9.363   3.075  -2.563  0.00  0.00    -0.083 Cl
ATOM     33  C   LIG    1        8.021   0.822   0.476  0.00  0.00    +0.050 A 
ATOM     34  N   LIG    1        4.959   0.545  -1.371  0.00  0.00    -0.195 NA
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH  13  18
TORSDOF 3