REMARK  Name = BDB019696
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.914  -0.645   0.540  0.00  0.00    +0.077 A 
ATOM      2  N   LIG    1        0.258  -0.452  -0.113  0.00  0.00    -0.242 NA
ATOM      3  C   LIG    1        0.650   0.834  -0.332  0.00  0.00    +0.126 A 
ATOM      4  C   LIG    1       -0.067   1.947   0.080  0.00  0.00    +0.038 A 
ATOM      5  C   LIG    1       -1.268   1.746   0.762  0.00  0.00    -0.024 A 
ATOM      6  C   LIG    1       -1.680   0.428   1.003  0.00  0.00    +0.034 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -2.586  -2.553   0.577  0.00  0.00    +0.224 A 
ATOM      8  C   LIG    1       -1.290  -2.052   0.758  0.00  0.00    +0.062 A 
ATOM      9  C   LIG    1       -0.319  -2.987   1.161  0.00  0.00    +0.017 A 
ATOM     10  C   LIG    1       -0.659  -4.319   1.378  0.00  0.00    +0.021 A 
ATOM     11  C   LIG    1       -1.974  -4.695   1.184  0.00  0.00    +0.114 A 
ATOM     12  N   LIG    1       -2.943  -3.844   0.791  0.00  0.00    -0.221 NA
BRANCH   7  14
ATOM     13  C   LIG    1       -4.811  -2.301  -0.139  0.00  0.00    +0.279 C 
ATOM     14  O   LIG    1       -3.564  -1.673   0.145  0.00  0.00    -0.479 OA
ENDBRANCH   7  14
ENDBRANCH   1   8
BRANCH   3  15
ATOM     15  C   LIG    1        1.953   1.006  -1.052  0.00  0.00    +0.263 C 
ATOM     16  N   LIG    1        2.498  -0.173  -1.511  0.00  0.00    -0.306 N 
ATOM     17  H   LIG    1        2.007  -1.022  -1.246  0.00  0.00    +0.149 HD
ATOM     18  O   LIG    1        2.471   2.107  -1.191  0.00  0.00    -0.269 OA
BRANCH  16  19
ATOM     19  C   LIG    1        3.816  -0.253  -2.084  0.00  0.00    +0.140 C 
BRANCH  19  20
ATOM     20  C   LIG    1        4.826  -0.645  -1.036  0.00  0.00    -0.029 A 
ATOM     21  C   LIG    1        5.128  -1.994  -0.801  0.00  0.00    +0.026 A 
ATOM     22  C   LIG    1        6.039  -2.357   0.198  0.00  0.00    +0.060 A 
ATOM     23 CL   LIG    1        6.352  -4.042   0.423  0.00  0.00    -0.082 Cl
ATOM     24  C   LIG    1        6.654  -1.369   0.974  0.00  0.00    +0.059 A 
ATOM     25 CL   LIG    1        7.785  -1.743   2.225  0.00  0.00    -0.082 Cl
ATOM     26  C   LIG    1        6.351  -0.023   0.751  0.00  0.00    +0.022 A 
ATOM     27  C   LIG    1        5.439   0.336  -0.244  0.00  0.00    +0.007 A 
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH   3  15
BRANCH   5  28
ATOM     28  C   LIG    1       -2.102   2.910   1.234  0.00  0.00    +0.158 C 
BRANCH  28  29
ATOM     29  N   LIG    1       -2.670   3.660   0.125  0.00  0.00    -0.330 N 
ATOM     30  C   LIG    1       -3.763   3.320  -0.643  0.00  0.00    +0.107 A 
ATOM     31  C   LIG    1       -4.531   2.058  -0.498  0.00  0.00    +0.086 C 
ATOM     32  N   LIG    1       -4.017   4.266  -1.526  0.00  0.00    -0.241 NA
ATOM     33  C   LIG    1       -3.073   5.236  -1.326  0.00  0.00    +0.130 A 
ATOM     34  C   LIG    1       -2.229   4.886  -0.301  0.00  0.00    +0.107 A 
ENDBRANCH  28  29
ENDBRANCH   5  28
TORSDOF 7