REMARK  Name = BDB017826
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.420  -1.045   1.938  0.00  0.00    +0.104 C 
ATOM      2  C   LIG    1        0.131  -1.568   1.372  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1        0.221  -2.933   1.088  0.00  0.00    -0.042 A 
ATOM      4  C   LIG    1       -0.838  -3.612   0.514  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -2.012  -2.901   0.233  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1       -2.121  -1.522   0.515  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1        1.578  -3.459   1.435  0.00  0.00    +0.037 C 
ATOM      8  C   LIG    1       -1.026  -0.855   1.089  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1        2.095  -2.361   2.378  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -3.330  -0.766   0.217  0.00  0.00    +0.089 A 
ATOM     11  N   LIG    1       -3.389   0.624   0.311  0.00  0.00    -0.232 NA
ATOM     12  C   LIG    1       -4.617   0.917  -0.022  0.00  0.00    +0.110 A 
ATOM     13  C   LIG    1       -5.440   2.134  -0.149  0.00  0.00    +0.076 C 
ATOM     14  C   LIG    1       -6.869   1.536  -0.207  0.00  0.00    +0.029 C 
ATOM     15  C   LIG    1       -6.703   0.080  -0.684  0.00  0.00    +0.123 C 
ATOM     16  N   LIG    1       -5.331  -0.198  -0.325  0.00  0.00    -0.334 N 
ATOM     17  C   LIG    1       -4.557  -1.287  -0.180  0.00  0.00    +0.115 A 
ENDBRANCH   6  10
BRANCH   1  19
ATOM     18  C   LIG    1        3.308   0.364   1.239  0.00  0.00    +0.246 C 
ATOM     19  N   LIG    1        2.171  -0.343   0.915  0.00  0.00    -0.304 N 
ATOM     20  H   LIG    1        1.676  -0.134   0.058  0.00  0.00    +0.150 HD
ATOM     21  O   LIG    1        3.788   0.390   2.367  0.00  0.00    -0.270 OA
BRANCH  18  25
ATOM     22  C   LIG    1        5.129   2.567  -1.867  0.00  0.00    +0.214 A 
ATOM     23  N   LIG    1        4.396   1.484  -2.206  0.00  0.00    -0.221 NA
ATOM     24  C   LIG    1        3.826   0.794  -1.187  0.00  0.00    +0.127 A 
ATOM     25  C   LIG    1        3.941   1.145   0.152  0.00  0.00    +0.055 A 
ATOM     26  C   LIG    1        4.720   2.261   0.466  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1        5.321   2.988  -0.560  0.00  0.00    +0.068 A 
BRANCH  22  29
ATOM     28  C   LIG    1        5.506   2.829  -4.161  0.00  0.00    +0.279 C 
ATOM     29  O   LIG    1        5.742   3.322  -2.847  0.00  0.00    -0.480 OA
ENDBRANCH  22  29
ENDBRANCH  18  25
ENDBRANCH   1  19
TORSDOF 4