REMARK  Name = BDB010017
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.377  -0.022   1.625  0.00  0.00    +0.144 A 
ATOM      2  N   LIG    1       -0.187   0.139   0.366  0.00  0.00    -0.312 N 
ATOM      3  C   LIG    1       -1.535  -0.159   0.476  0.00  0.00    +0.129 A 
ATOM      4  C   LIG    1       -1.730  -0.338   1.835  0.00  0.00    +0.184 A 
ATOM      5  N   LIG    1       -2.918  -0.575   2.407  0.00  0.00    -0.200 NA
ATOM      6  C   LIG    1       -3.917  -0.614   1.519  0.00  0.00    +0.242 A 
ATOM      7  N   LIG    1       -3.821  -0.475   0.176  0.00  0.00    -0.205 NA
ATOM      8  C   LIG    1       -2.618  -0.271  -0.394  0.00  0.00    +0.149 A 
ATOM      9  N   LIG    1       -0.559  -0.263   2.522  0.00  0.00    -0.208 NA
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        4.993  -1.961   1.652  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1        4.040  -0.856   2.000  0.00  0.00    -0.050 A 
ATOM     12  C   LIG    1        2.682  -0.957   1.670  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1        1.794   0.087   1.961  0.00  0.00    +0.018 A 
ATOM     14  C   LIG    1        2.269   1.222   2.628  0.00  0.00    +0.011 A 
ATOM     15  C   LIG    1        3.622   1.338   2.946  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        4.506   0.309   2.621  0.00  0.00    +0.003 A 
ENDBRANCH   1  13
BRANCH   2  17
ATOM     17  C   LIG    1        0.478   0.615  -0.859  0.00  0.00    +0.116 C 
ATOM     18  C   LIG    1        1.187  -0.531  -1.587  0.00  0.00    +0.036 C 
BRANCH  17  19
ATOM     19  C   LIG    1        1.283   1.893  -0.639  0.00  0.00    -0.025 A 
ATOM     20  C   LIG    1        2.675   1.959  -0.820  0.00  0.00    +0.007 A 
ATOM     21  C   LIG    1        3.369   3.152  -0.601  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1        2.681   4.295  -0.205  0.00  0.00    +0.041 A 
ATOM     23 CL   LIG    1        3.541   5.759   0.070  0.00  0.00    -0.084 Cl
ATOM     24  C   LIG    1        1.302   4.259  -0.031  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        0.607   3.066  -0.248  0.00  0.00    +0.007 A 
ENDBRANCH  17  19
ENDBRANCH   2  17
BRANCH   6  26
ATOM     26  C   LIG    1       -5.292  -0.855   2.087  0.00  0.00    +0.375 C 
ATOM     27  O   LIG    1       -5.588  -1.007   3.261  0.00  0.00    -0.242 OA
BRANCH  26  28
ATOM     28  O   LIG    1       -6.263  -0.899   1.143  0.00  0.00    -0.475 OA
ATOM     29  H   LIG    1       -7.079  -1.058   1.661  0.00  0.00    +0.296 HD
ENDBRANCH  26  28
ENDBRANCH   6  26
BRANCH   8  30
ATOM     30  N   LIG    1       -2.498  -0.200  -1.777  0.00  0.00    -0.327 N 
ATOM     31  H   LIG    1       -1.660  -0.648  -2.120  0.00  0.00    +0.148 HD
BRANCH  30  32
ATOM     32  C   LIG    1       -3.670  -0.542  -2.572  0.00  0.00    +0.106 C 
BRANCH  32  33
ATOM     33  C   LIG    1       -3.786  -2.009  -2.887  0.00  0.00    +0.006 C 
ATOM     34  C   LIG    1       -2.995  -3.113  -2.219  0.00  0.00    +0.005 C 
ATOM     35  C   LIG    1       -2.693  -2.731  -3.641  0.00  0.00    +0.005 C 
ENDBRANCH  32  33
ENDBRANCH  30  32
ENDBRANCH   8  30
TORSDOF 8