REMARK  Name = BDB019718
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.923   0.166  -3.151  0.00  0.00    +0.038 A 
ATOM      2  C   LIG    1        1.629   0.010  -1.950  0.00  0.00    +0.018 A 
ATOM      3  C   LIG    1        2.861  -0.668  -1.925  0.00  0.00    -0.028 A 
ATOM      4  C   LIG    1        3.381  -1.169  -3.127  0.00  0.00    +0.025 A 
ATOM      5  C   LIG    1        2.684  -0.994  -4.324  0.00  0.00    +0.042 A 
ATOM      6 CL   LIG    1        3.346  -1.609  -5.788  0.00  0.00    -0.084 Cl
ATOM      7  C   LIG    1        1.462  -0.327  -4.344  0.00  0.00    +0.033 A 
ENDROOT
BRANCH   1  10
ATOM      8  N   LIG    1       -1.158   0.823  -2.070  0.00  0.00    -0.307 N 
ATOM      9  H   LIG    1       -0.930   0.159  -1.342  0.00  0.00    +0.149 HD
ATOM     10  C   LIG    1       -0.386   0.870  -3.209  0.00  0.00    +0.244 C 
ATOM     11  O   LIG    1       -0.740   1.424  -4.242  0.00  0.00    -0.270 OA
BRANCH   8  12
ATOM     12  C   LIG    1       -2.502   1.352  -2.082  0.00  0.00    +0.139 C 
BRANCH  12  16
ATOM     13  C   LIG    1       -3.135   3.446   2.456  0.00  0.00    +0.044 C 
ATOM     14  C   LIG    1       -3.405   2.327   1.493  0.00  0.00    -0.050 A 
ATOM     15  C   LIG    1       -2.865   2.359   0.202  0.00  0.00    +0.008 A 
ATOM     16  C   LIG    1       -3.100   1.313  -0.702  0.00  0.00    -0.030 A 
ATOM     17  C   LIG    1       -3.855   0.208  -0.285  0.00  0.00    +0.008 A 
ATOM     18  C   LIG    1       -4.376   0.145   1.013  0.00  0.00    -0.050 A 
ATOM     19  C   LIG    1       -5.210  -1.026   1.446  0.00  0.00    +0.044 C 
ATOM     20  C   LIG    1       -4.154   1.213   1.892  0.00  0.00    +0.006 A 
ENDBRANCH  12  16
ENDBRANCH   8  12
ENDBRANCH   1  10
BRANCH   3  21
ATOM     21  C   LIG    1        3.628  -0.822  -0.632  0.00  0.00    +0.139 C 
BRANCH  21  22
ATOM     22  N   LIG    1        2.794  -1.470   0.359  0.00  0.00    -0.313 N 
ATOM     23  H   LIG    1        2.309  -2.286  -0.006  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1        3.234  -1.736   1.607  0.00  0.00    +0.176 C 
ATOM     25  N   LIG    1        4.026  -0.816   2.215  0.00  0.00    -0.316 N 
ATOM     26  H   LIG    1        3.723   0.139   2.064  0.00  0.00    +0.149 HD
ATOM     27  C   LIG    1        4.128  -1.204   3.607  0.00  0.00    +0.127 C 
ATOM     28  C   LIG    1        3.639  -2.655   3.560  0.00  0.00    +0.163 C 
ATOM     29  N   LIG    1        2.918  -2.812   2.265  0.00  0.00    -0.255 NA
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 6