REMARK  Name = BDB015733
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.823  -0.969  -0.543  0.00  0.00    +0.326 A 
ATOM      2  N   LIG    1       -1.245   0.111   0.132  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1       -0.376   1.132   0.243  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1        0.885   1.079  -0.317  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1        1.225  -0.077  -0.988  0.00  0.00    +0.127 A 
ATOM      6  N   LIG    1        0.378  -1.101  -1.123  0.00  0.00    -0.180 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -0.850   2.329   0.987  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -2.167   2.615   0.978  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -2.698   3.712   1.643  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -4.132   3.938   1.567  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -1.908   4.595   2.372  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -2.315   5.587   2.969  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -0.459   4.273   2.412  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1        0.020   3.206   1.760  0.00  0.00    +0.017 A 
ENDBRANCH   3   7
BRANCH   5  15
ATOM     15  N   LIG    1        2.466  -0.236  -1.610  0.00  0.00    -0.322 N 
ATOM     16  H   LIG    1        2.402  -1.163  -2.037  0.00  0.00    +0.148 HD
BRANCH  15  17
ATOM     17  C   LIG    1        3.630  -0.169  -0.715  0.00  0.00    +0.099 C 
ATOM     18  C   LIG    1        4.446   1.087  -1.038  0.00  0.00    +0.033 C 
BRANCH  17  19
ATOM     19  C   LIG    1        4.449  -1.443  -0.869  0.00  0.00    -0.028 A 
ATOM     20  C   LIG    1        5.194  -1.712  -2.029  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1        5.920  -2.898  -2.152  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        5.905  -3.836  -1.123  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        5.159  -3.593   0.027  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        4.432  -2.407   0.152  0.00  0.00    +0.005 A 
ENDBRANCH  17  19
ENDBRANCH  15  17
ENDBRANCH   5  15
BRANCH   1  25
ATOM     25  O   LIG    1       -1.672  -2.058  -0.707  0.00  0.00    -0.422 OA
BRANCH  25  28
ATOM     26  C   LIG    1       -3.927  -1.190  -2.217  0.00  0.00    +0.047 C 
ATOM     27  C   LIG    1       -4.019  -1.580  -0.770  0.00  0.00    -0.007 A 
ATOM     28  C   LIG    1       -2.880  -1.981  -0.050  0.00  0.00    +0.153 A 
ATOM     29  C   LIG    1       -2.984  -2.356   1.297  0.00  0.00    +0.084 A 
ATOM     30 CL   LIG    1       -1.618  -2.921   2.191  0.00  0.00    -0.080 Cl
ATOM     31  C   LIG    1       -4.218  -2.288   1.945  0.00  0.00    +0.024 A 
ATOM     32  C   LIG    1       -5.347  -1.859   1.248  0.00  0.00    +0.002 A 
ATOM     33  C   LIG    1       -5.249  -1.508  -0.100  0.00  0.00    +0.007 A 
ENDBRANCH  25  28
ENDBRANCH   1  25
TORSDOF 6