REMARK  Name = BDB060064
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.605   0.236   1.511  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1        1.710  -0.313   0.578  0.00  0.00    +0.074 A 
ATOM      3  C   LIG    1        0.525   0.400   0.335  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1        0.221   1.593   0.986  0.00  0.00    +0.090 A 
ATOM      5  N   LIG    1       -0.968   2.106   0.544  0.00  0.00    -0.229 NA
ATOM      6  C   LIG    1       -1.415   1.255  -0.362  0.00  0.00    +0.148 A 
ATOM      7  C   LIG    1        1.107   2.108   1.943  0.00  0.00    +0.033 A 
ATOM      8  N   LIG    1       -0.554   0.185  -0.491  0.00  0.00    -0.328 N 
ATOM      9  C   LIG    1       -0.764  -0.963  -1.339  0.00  0.00    +0.150 C 
ATOM     10  C   LIG    1        2.297   1.416   2.198  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   1  11
ATOM     11  O   LIG    1        3.820  -0.329   1.846  0.00  0.00    -0.454 OA
BRANCH  11  16
ATOM     12  C   LIG    1        5.646  -2.817  -0.853  0.00  0.00    +0.215 A 
ATOM     13  N   LIG    1        5.671  -1.492  -1.115  0.00  0.00    -0.214 NA
ATOM     14  C   LIG    1        5.070  -0.665  -0.216  0.00  0.00    +0.084 A 
ATOM     15  C   LIG    1        5.138   0.805  -0.518  0.00  0.00    +0.069 C 
ATOM     16  C   LIG    1        4.414  -1.151   0.919  0.00  0.00    +0.150 A 
ATOM     17  C   LIG    1        4.426  -2.520   1.174  0.00  0.00    +0.053 A 
ATOM     18  C   LIG    1        5.045  -3.373   0.266  0.00  0.00    +0.071 A 
BRANCH  12  20
ATOM     19  C   LIG    1        6.922  -3.067  -2.800  0.00  0.00    +0.279 C 
ATOM     20  O   LIG    1        6.234  -3.708  -1.729  0.00  0.00    -0.480 OA
ENDBRANCH  12  20
ENDBRANCH  11  16
ENDBRANCH   1  11
BRANCH   6  21
ATOM     21  C   LIG    1       -2.669   1.421  -1.157  0.00  0.00    +0.303 C 
BRANCH  21  22
ATOM     22  O   LIG    1       -3.623   0.449  -0.700  0.00  0.00    -0.484 OA
BRANCH  22  23
ATOM     23  C   LIG    1       -4.681   0.968  -0.003  0.00  0.00    +0.122 A 
ATOM     24  C   LIG    1       -5.932   0.424  -0.295  0.00  0.00    +0.060 A 
ATOM     25  C   LIG    1       -7.074   0.916   0.351  0.00  0.00    +0.062 A 
ATOM     26  C   LIG    1       -6.954   1.932   1.310  0.00  0.00    +0.015 A 
ATOM     27  C   LIG    1       -5.696   2.441   1.627  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -4.559   1.953   0.982  0.00  0.00    +0.046 A 
BRANCH  25  29
ATOM     29  C   LIG    1       -8.389   0.339  -0.013  0.00  0.00    +0.337 C 
ATOM     30  O   LIG    1       -8.575  -0.659  -0.687  0.00  0.00    -0.245 OA
BRANCH  29  31
ATOM     31  O   LIG    1       -9.421   1.061   0.467  0.00  0.00    -0.477 OA
ATOM     32  H   LIG    1      -10.210   0.584   0.138  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  25  29
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   6  21
TORSDOF 8