REMARK  Name = BDB028505
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.606  -3.241  -1.611  0.00  0.00    -0.253 OA
ATOM      2  C   LIG    1       -0.679  -2.061  -1.281  0.00  0.00    +0.302 C 
ATOM      3  N   LIG    1       -1.873  -1.364  -1.201  0.00  0.00    -0.286 N 
ATOM      4  C   LIG    1       -2.022  -0.044  -0.592  0.00  0.00    +0.110 C 
ATOM      5  C   LIG    1       -3.402   0.162   0.025  0.00  0.00    +0.032 C 
ATOM      6  C   LIG    1       -4.543  -0.061  -0.983  0.00  0.00    +0.078 C 
ATOM      7  C   LIG    1       -4.141  -1.040  -2.103  0.00  0.00    +0.032 C 
ATOM      8  C   LIG    1       -3.093  -2.042  -1.634  0.00  0.00    +0.110 C 
ATOM      9  N   LIG    1        0.434  -1.327  -0.961  0.00  0.00    -0.297 N 
ATOM     10  H   LIG    1        0.392  -0.355  -1.232  0.00  0.00    +0.150 HD
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1       -5.775  -0.582  -0.236  0.00  0.00    +0.219 C 
ATOM     12  N   LIG    1       -6.594   0.342   0.393  0.00  0.00    -0.297 N 
ATOM     13  C   LIG    1       -7.787  -0.134   1.103  0.00  0.00    +0.136 C 
ATOM     14  C   LIG    1       -8.965   0.824   0.900  0.00  0.00    +0.179 C 
ATOM     15  O   LIG    1       -8.701   2.170   1.326  0.00  0.00    -0.377 OA
ATOM     16  C   LIG    1       -7.310   2.512   1.352  0.00  0.00    +0.179 C 
ATOM     17  C   LIG    1       -6.491   1.800   0.271  0.00  0.00    +0.136 C 
ATOM     18  O   LIG    1       -5.994  -1.792  -0.162  0.00  0.00    -0.275 OA
ENDBRANCH   6  11
BRANCH   9  19
ATOM     19  C   LIG    1        1.752  -1.927  -1.079  0.00  0.00    +0.138 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.840  -0.950  -0.608  0.00  0.00    +0.146 C 
BRANCH  20  21
ATOM     21  O   LIG    1        2.756   0.232  -1.426  0.00  0.00    -0.389 OA
ATOM     22  H   LIG    1        3.041  -0.013  -2.324  0.00  0.00    +0.210 HD
ENDBRANCH  20  21
BRANCH  20  23
ATOM     23  C   LIG    1        4.238  -1.606  -0.716  0.00  0.00    +0.117 C 
BRANCH  23  24
ATOM     24  N   LIG    1        5.374  -0.947  -0.052  0.00  0.00    -0.295 NA
ATOM     25  C   LIG    1        5.617   0.428  -0.516  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1        6.813   1.071   0.159  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1        7.264   0.614   1.410  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1        8.345   1.248   2.036  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        8.959   2.347   1.436  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        8.503   2.816   0.206  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        6.627  -0.599   2.043  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1        7.433   2.184  -0.429  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1        5.273  -0.963   1.413  0.00  0.00    +0.089 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH   9  19
TORSDOF 6