REMARK  Name = BDB017320
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.646   1.891   2.884  0.00  0.00    +0.143 A 
ATOM      2  C   LIG    1       -0.044   2.408   3.976  0.00  0.00    +0.099 A 
ATOM      3 CL   LIG    1        0.733   3.165   5.310  0.00  0.00    -0.078 Cl
ATOM      4  C   LIG    1       -1.410   2.267   3.955  0.00  0.00    +0.137 A 
ATOM      5  N   LIG    1       -2.082   1.674   2.950  0.00  0.00    -0.221 NA
ATOM      6  C   LIG    1       -1.354   1.212   1.924  0.00  0.00    +0.221 A 
ATOM      7  N   LIG    1       -0.014   1.307   1.863  0.00  0.00    -0.198 NA
ENDROOT
BRANCH   1   8
ATOM      8  N   LIG    1        2.040   2.043   2.813  0.00  0.00    -0.325 N 
ATOM      9  H   LIG    1        2.444   1.879   3.734  0.00  0.00    +0.148 HD
BRANCH   8  16
ATOM     10  C   LIG    1        5.295  -1.651  -1.488  0.00  0.00    +0.229 C 
ATOM     11  N   LIG    1        4.262  -0.866  -1.008  0.00  0.00    -0.300 N 
ATOM     12  C   LIG    1        3.034  -1.471  -0.512  0.00  0.00    +0.111 C 
ATOM     13  C   LIG    1        2.283  -0.330   0.154  0.00  0.00    +0.013 C 
ATOM     14  C   LIG    1        2.747   0.909  -0.615  0.00  0.00    +0.013 C 
ATOM     15  C   LIG    1        2.575   2.061   0.363  0.00  0.00    +0.027 C 
ATOM     16  C   LIG    1        2.833   1.447   1.744  0.00  0.00    +0.072 C 
ATOM     17  C   LIG    1        2.696  -0.075   1.611  0.00  0.00    +0.027 C 
ATOM     18  C   LIG    1        4.197   0.588  -0.983  0.00  0.00    +0.111 C 
ATOM     19  O   LIG    1        5.202  -2.877  -1.512  0.00  0.00    -0.274 OA
BRANCH  10  20
ATOM     20  C   LIG    1        6.517  -0.909  -1.989  0.00  0.00    +0.214 C 
BRANCH  20  22
ATOM     21  N   LIG    1        8.575  -2.455  -2.500  0.00  0.00    -0.196 NA
ATOM     22  C   LIG    1        7.640  -1.807  -2.267  0.00  0.00    +0.072 C 
ENDBRANCH  20  22
ENDBRANCH  10  20
ENDBRANCH   8  16
ENDBRANCH   1   8
BRANCH   6  23
ATOM     23  N   LIG    1       -1.957   0.587   0.832  0.00  0.00    -0.281 N 
ATOM     24  H   LIG    1       -1.225   0.329   0.183  0.00  0.00    +0.155 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -3.252   0.323   0.572  0.00  0.00    +0.072 A 
ATOM     26  C   LIG    1       -3.706  -0.312  -0.557  0.00  0.00    +0.139 A 
ATOM     27  N   LIG    1       -5.084  -0.395  -0.451  0.00  0.00    -0.220 N 
ATOM     28  N   LIG    1       -5.518   0.172   0.710  0.00  0.00    -0.172 NA
ATOM     29  C   LIG    1       -4.409   0.598   1.317  0.00  0.00    +0.158 A 
BRANCH  27  30
ATOM     30  C   LIG    1       -6.011  -0.977  -1.383  0.00  0.00    +0.154 A 
ATOM     31  N   LIG    1       -7.337  -0.944  -1.074  0.00  0.00    -0.236 NA
ATOM     32  C   LIG    1       -8.206  -1.491  -1.948  0.00  0.00    +0.113 A 
ATOM     33  C   LIG    1       -7.826  -2.083  -3.138  0.00  0.00    +0.020 A 
ATOM     34  C   LIG    1       -6.473  -2.114  -3.449  0.00  0.00    +0.005 A 
ATOM     35  C   LIG    1       -5.548  -1.556  -2.565  0.00  0.00    +0.048 A 
ENDBRANCH  27  30
ENDBRANCH  23  25
ENDBRANCH   6  23
TORSDOF 7