REMARK  Name = BDB017061
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.255  -0.406   0.124  0.00  0.00    +0.078 A 
ATOM      2  N   LIG    1        0.756  -0.647   1.032  0.00  0.00    -0.329 N 
ATOM      3  C   LIG    1        0.209  -0.686   2.283  0.00  0.00    +0.200 A 
ATOM      4  N   LIG    1       -1.083  -0.475   2.249  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1       -1.399  -0.299   0.911  0.00  0.00    +0.115 A 
ENDROOT
BRANCH   1  10
ATOM      6 CL   LIG    1        0.666   0.073  -5.757  0.00  0.00    -0.084 Cl
ATOM      7  C   LIG    1        0.393  -0.065  -4.064  0.00  0.00    +0.041 A 
ATOM      8  C   LIG    1        0.285   1.085  -3.285  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        0.065   0.972  -1.910  0.00  0.00    +0.011 A 
ATOM     10  C   LIG    1       -0.043  -0.290  -1.314  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        0.058  -1.439  -2.107  0.00  0.00    +0.011 A 
ATOM     12  C   LIG    1        0.279  -1.327  -3.482  0.00  0.00    +0.020 A 
ENDBRANCH   1  10
BRANCH   5  13
ATOM     13  C   LIG    1       -2.770  -0.046   0.464  0.00  0.00    +0.092 A 
ATOM     14  N   LIG    1       -2.994   0.071  -0.867  0.00  0.00    -0.253 NA
ATOM     15  C   LIG    1       -4.258   0.301  -1.275  0.00  0.00    +0.112 A 
ATOM     16  C   LIG    1       -5.331   0.424  -0.413  0.00  0.00    +0.031 A 
ATOM     17  C   LIG    1       -5.099   0.304   0.958  0.00  0.00    +0.026 A 
ATOM     18  C   LIG    1       -3.794   0.064   1.399  0.00  0.00    +0.041 A 
BRANCH  17  19
ATOM     19  C   LIG    1       -6.192   0.425   1.911  0.00  0.00    +0.204 A 
ATOM     20  N   LIG    1       -7.476   0.652   1.576  0.00  0.00    -0.133 NA
ATOM     21  N   LIG    1       -8.038   0.672   2.793  0.00  0.00    -0.176 N 
ATOM     22  H   LIG    1       -9.034   0.824   2.929  0.00  0.00    +0.214 HD
ATOM     23  N   LIG    1       -7.212   0.479   3.826  0.00  0.00    -0.049 NA
ATOM     24  N   LIG    1       -6.019   0.319   3.272  0.00  0.00    -0.108 NA
ENDBRANCH  17  19
ENDBRANCH   5  13
BRANCH   2  25
ATOM     25  C   LIG    1        2.169  -0.833   0.753  0.00  0.00    +0.128 C 
BRANCH  25  26
ATOM     26  C   LIG    1        2.923   0.495   0.690  0.00  0.00    +0.058 C 
BRANCH  26  27
ATOM     27  C   LIG    1        4.405   0.289   0.471  0.00  0.00    -0.027 A 
ATOM     28  C   LIG    1        4.964   0.072  -0.799  0.00  0.00    +0.044 A 
ATOM     29 CL   LIG    1        3.996   0.042  -2.229  0.00  0.00    -0.083 Cl
ATOM     30  C   LIG    1        6.340  -0.131  -0.945  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1        7.173  -0.125   0.172  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1        6.633   0.085   1.438  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        5.260   0.288   1.588  0.00  0.00    +0.005 A 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH   2  25
TORSDOF 6