REMARK  Name = BDB011606
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.416  -0.822  -2.122  0.00  0.00    +0.270 C 
ATOM      2  N   LIG    1        0.617  -0.464  -1.058  0.00  0.00    -0.274 N 
ATOM      3  H   LIG    1        1.055  -0.394  -0.145  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1        1.048  -0.883  -3.288  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -0.699  -0.092  -1.042  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -1.247   0.527   0.202  0.00  0.00    +0.289 A 
ATOM      7  O   LIG    1       -0.601   0.614   1.237  0.00  0.00    -0.264 OA
ATOM      8  N   LIG    1       -2.563   0.908  -0.056  0.00  0.00    -0.245 N 
ATOM      9  N   LIG    1       -2.906   0.414  -1.351  0.00  0.00    -0.287 N 
ATOM     10  C   LIG    1       -3.744   1.308  -2.156  0.00  0.00    +0.170 C 
ATOM     11  C   LIG    1       -1.735  -0.148  -1.895  0.00  0.00    +0.059 A 
ATOM     12  C   LIG    1       -1.786  -0.796  -3.241  0.00  0.00    +0.067 C 
BRANCH   8  13
ATOM     13  C   LIG    1       -3.548   0.931   1.026  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1       -4.484  -0.289   1.024  0.00  0.00    +0.027 C 
ATOM     15  C   LIG    1       -5.463  -0.242   2.196  0.00  0.00    +0.002 C 
ATOM     16  C   LIG    1       -6.242   1.070   2.226  0.00  0.00    +0.000 C 
ATOM     17  C   LIG    1       -5.311   2.279   2.239  0.00  0.00    +0.002 C 
ATOM     18  C   LIG    1       -4.332   2.249   1.067  0.00  0.00    +0.027 C 
ENDBRANCH   8  13
ENDBRANCH   2   5
BRANCH   1  24
ATOM     19  C   LIG    1        3.394   0.692   0.026  0.00  0.00    +0.068 C 
ATOM     20  C   LIG    1        3.616  -0.529  -0.788  0.00  0.00    +0.074 A 
ATOM     21  N   LIG    1        4.791  -1.277  -0.831  0.00  0.00    -0.216 N 
ATOM     22  N   LIG    1        4.720  -2.150  -1.867  0.00  0.00    -0.060 NA
ATOM     23  N   LIG    1        3.514  -2.089  -2.402  0.00  0.00    -0.124 NA
ATOM     24  C   LIG    1        2.798  -1.129  -1.743  0.00  0.00    +0.170 A 
BRANCH  21  25
ATOM     25  C   LIG    1        5.957  -1.263  -0.007  0.00  0.00    +0.067 A 
ATOM     26  C   LIG    1        5.984  -0.640   1.247  0.00  0.00    +0.029 A 
ATOM     27  C   LIG    1        7.151  -0.661   2.022  0.00  0.00    +0.022 A 
ATOM     28  C   LIG    1        8.291  -1.310   1.555  0.00  0.00    +0.041 A 
ATOM     29 CL   LIG    1        9.718  -1.329   2.514  0.00  0.00    -0.084 Cl
ATOM     30  C   LIG    1        8.275  -1.950   0.321  0.00  0.00    +0.022 A 
ATOM     31  C   LIG    1        7.111  -1.933  -0.455  0.00  0.00    +0.029 A 
ENDBRANCH  21  25
ENDBRANCH   1  24
TORSDOF 4