REMARK  Name = BDB060078
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.126  -1.621  -0.850  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1        0.948  -1.045  -1.341  0.00  0.00    +0.074 A 
ATOM      3  C   LIG    1       -0.058  -0.760  -0.407  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1        0.077  -1.050   0.947  0.00  0.00    +0.090 A 
ATOM      5  N   LIG    1       -1.046  -0.682   1.642  0.00  0.00    -0.229 NA
ATOM      6  C   LIG    1       -1.882  -0.188   0.747  0.00  0.00    +0.148 A 
ATOM      7  C   LIG    1        1.256  -1.648   1.416  0.00  0.00    +0.033 A 
ATOM      8  N   LIG    1       -1.309  -0.197  -0.508  0.00  0.00    -0.328 N 
ATOM      9  C   LIG    1       -1.917   0.286  -1.725  0.00  0.00    +0.150 C 
ATOM     10  C   LIG    1        2.277  -1.939   0.503  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   1  11
ATOM     11  O   LIG    1        3.095  -1.928  -1.781  0.00  0.00    -0.456 OA
BRANCH  11  16
ATOM     12  C   LIG    1        6.003   0.104  -0.860  0.00  0.00    +0.218 A 
ATOM     13  N   LIG    1        7.027  -0.731  -1.138  0.00  0.00    -0.221 NA
ATOM     14  C   LIG    1        6.706  -1.946  -1.630  0.00  0.00    +0.118 A 
ATOM     15  C   LIG    1        5.408  -2.370  -1.846  0.00  0.00    +0.066 A 
ATOM     16  C   LIG    1        4.377  -1.495  -1.526  0.00  0.00    +0.135 A 
ATOM     17  C   LIG    1        4.671  -0.225  -1.040  0.00  0.00    +0.113 A 
BRANCH  12  18
ATOM     18  O   LIG    1        6.253   1.369  -0.364  0.00  0.00    -0.477 OA
BRANCH  18  20
ATOM     19  C   LIG    1        8.131   1.221   1.170  0.00  0.00    +0.048 C 
ATOM     20  C   LIG    1        7.634   1.687  -0.188  0.00  0.00    +0.227 C 
ENDBRANCH  18  20
ENDBRANCH  12  18
ENDBRANCH  11  16
ENDBRANCH   1  11
BRANCH   6  21
ATOM     21  C   LIG    1       -3.249   0.341   1.045  0.00  0.00    +0.303 C 
BRANCH  21  22
ATOM     22  O   LIG    1       -4.165  -0.332   0.180  0.00  0.00    -0.484 OA
BRANCH  22  23
ATOM     23  C   LIG    1       -5.484   0.017   0.274  0.00  0.00    +0.122 A 
ATOM     24  C   LIG    1       -6.024   0.966   1.143  0.00  0.00    +0.060 A 
ATOM     25  C   LIG    1       -7.403   1.227   1.127  0.00  0.00    +0.062 A 
ATOM     26  C   LIG    1       -8.237   0.536   0.240  0.00  0.00    +0.015 A 
ATOM     27  C   LIG    1       -7.698  -0.412  -0.626  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -6.327  -0.668  -0.606  0.00  0.00    +0.046 A 
BRANCH  25  29
ATOM     29  C   LIG    1       -8.022   2.227   2.031  0.00  0.00    +0.337 C 
ATOM     30  O   LIG    1       -9.206   2.503   2.086  0.00  0.00    -0.245 OA
BRANCH  29  31
ATOM     31  O   LIG    1       -7.125   2.839   2.825  0.00  0.00    -0.477 OA
ATOM     32  H   LIG    1       -7.670   3.455   3.360  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  25  29
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   6  21
TORSDOF 9