REMARK  Name = BDB027558
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.498  -2.358  -1.485  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1        0.305  -1.831  -1.034  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1        0.118  -0.764  -0.059  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -1.407  -0.589   0.053  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1       -1.902  -2.011  -0.223  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1       -0.953  -2.505  -1.304  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1        1.577  -3.382  -2.158  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1        5.168  -0.424  -0.422  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1        4.212   0.256  -1.181  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1        3.010  -0.367  -1.535  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1        2.752  -1.672  -1.112  0.00  0.00    +0.037 A 
ATOM     12  C   LIG    1        3.709  -2.372  -0.377  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1        4.910  -1.746  -0.029  0.00  0.00    +0.024 A 
BRANCH   8  15
ATOM     14  C   LIG    1        6.863   1.419  -0.261  0.00  0.00    +0.217 C 
ATOM     15  N   LIG    1        6.402   0.132  -0.027  0.00  0.00    -0.286 N 
ATOM     16  H   LIG    1        7.016  -0.479   0.496  0.00  0.00    +0.155 HD
ATOM     17  O   LIG    1        6.261   2.314  -0.841  0.00  0.00    -0.275 OA
BRANCH  14  19
ATOM     18  C   LIG    1        8.798   3.015   0.065  0.00  0.00    +0.013 C 
ATOM     19  C   LIG    1        8.258   1.617   0.311  0.00  0.00    +0.093 C 
ENDBRANCH  14  19
ENDBRANCH   8  15
ENDBRANCH   1  11
BRANCH   4  20
ATOM     20  N   LIG    1       -1.791  -0.116   1.374  0.00  0.00    -0.309 N 
ATOM     21  H   LIG    1       -1.162   0.555   1.806  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -3.043   0.479   1.453  0.00  0.00    +0.216 A 
ATOM     23  N   LIG    1       -4.053   0.056   0.681  0.00  0.00    -0.214 NA
ATOM     24  C   LIG    1       -5.242   0.659   0.805  0.00  0.00    +0.077 A 
ATOM     25  C   LIG    1       -5.452   1.711   1.699  0.00  0.00    +0.019 A 
ATOM     26  C   LIG    1       -6.710   2.333   1.814  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1       -7.769   1.895   1.024  0.00  0.00    +0.016 A 
ATOM     28  C   LIG    1       -7.572   0.842   0.125  0.00  0.00    +0.061 A 
ATOM     29  C   LIG    1       -4.341   2.077   2.439  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1       -6.311   0.237   0.026  0.00  0.00    +0.043 A 
ATOM     31  N   LIG    1       -3.138   1.484   2.329  0.00  0.00    -0.222 NA
BRANCH  28  32
ATOM     32  C   LIG    1       -8.721   0.401  -0.701  0.00  0.00    +0.337 C 
ATOM     33  O   LIG    1       -9.841   0.874  -0.667  0.00  0.00    -0.245 OA
BRANCH  32  34
ATOM     34  O   LIG    1       -8.410  -0.609  -1.530  0.00  0.00    -0.477 OA
ATOM     35  H   LIG    1       -9.247  -0.797  -2.005  0.00  0.00    +0.295 HD
ENDBRANCH  32  34
ENDBRANCH  28  32
ENDBRANCH  20  22
ENDBRANCH   4  20
TORSDOF 7