REMARK  Name = BDB019689
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.587   2.748  -0.363  0.00  0.00    -0.024 A 
ATOM      2  C   LIG    1       -1.451   1.729   0.077  0.00  0.00    +0.033 A 
ATOM      3  C   LIG    1       -1.063   0.392  -0.018  0.00  0.00    +0.072 A 
ATOM      4  N   LIG    1        0.139   0.041  -0.530  0.00  0.00    -0.242 NA
ATOM      5  C   LIG    1        0.977   1.035  -0.926  0.00  0.00    +0.126 A 
ATOM      6  C   LIG    1        0.666   2.384  -0.862  0.00  0.00    +0.038 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.893  -0.733   0.457  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -1.283  -1.875   1.015  0.00  0.00    +0.016 A 
ATOM      9  C   LIG    1       -2.026  -2.968   1.491  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1       -3.420  -2.925   1.381  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1       -4.050  -1.810   0.828  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -3.294  -0.726   0.371  0.00  0.00    +0.010 A 
BRANCH   9  13
ATOM     13  C   LIG    1       -1.340  -4.191   2.041  0.00  0.00    +0.191 C 
BRANCH  13  14
ATOM     14  O   LIG    1       -0.149  -3.832   2.729  0.00  0.00    -0.390 OA
ATOM     15  H   LIG    1        0.310  -4.661   2.947  0.00  0.00    +0.210 HD
ENDBRANCH  13  14
ENDBRANCH   9  13
ENDBRANCH   3   7
BRANCH   5  16
ATOM     16  C   LIG    1        2.318   0.576  -1.410  0.00  0.00    +0.263 C 
ATOM     17  N   LIG    1        2.404  -0.792  -1.547  0.00  0.00    -0.306 N 
ATOM     18  H   LIG    1        1.581  -1.301  -1.232  0.00  0.00    +0.149 HD
ATOM     19  O   LIG    1        3.233   1.361  -1.625  0.00  0.00    -0.269 OA
BRANCH  17  20
ATOM     20  C   LIG    1        3.654  -1.498  -1.656  0.00  0.00    +0.140 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.971  -2.168  -0.342  0.00  0.00    -0.029 A 
ATOM     22  C   LIG    1        3.358  -3.385  -0.000  0.00  0.00    +0.026 A 
ATOM     23  C   LIG    1        3.595  -3.978   1.244  0.00  0.00    +0.060 A 
ATOM     24 CL   LIG    1        2.789  -5.470   1.589  0.00  0.00    -0.082 Cl
ATOM     25  C   LIG    1        4.451  -3.358   2.159  0.00  0.00    +0.059 A 
ATOM     26 CL   LIG    1        4.792  -4.033   3.713  0.00  0.00    -0.082 Cl
ATOM     27  C   LIG    1        5.061  -2.145   1.828  0.00  0.00    +0.022 A 
ATOM     28  C   LIG    1        4.817  -1.549   0.587  0.00  0.00    +0.007 A 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH   5  16
BRANCH   1  29
ATOM     29  C   LIG    1       -0.966   4.204  -0.253  0.00  0.00    +0.158 C 
BRANCH  29  32
ATOM     30  C   LIG    1       -1.542   4.297  -3.316  0.00  0.00    +0.065 C 
ATOM     31  C   LIG    1       -2.522   4.550  -2.235  0.00  0.00    +0.035 A 
ATOM     32  N   LIG    1       -2.243   4.494  -0.889  0.00  0.00    -0.330 N 
ATOM     33  C   LIG    1       -3.394   4.802  -0.216  0.00  0.00    +0.199 A 
ATOM     34  N   LIG    1       -4.392   5.019  -1.039  0.00  0.00    -0.244 NA
ATOM     35  C   LIG    1       -3.864   4.869  -2.293  0.00  0.00    +0.133 A 
ENDBRANCH  29  32
ENDBRANCH   1  29
TORSDOF 8