REMARK  Name = BDB056752
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.076  -1.792  -0.921  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1        2.201  -1.081  -0.086  0.00  0.00    +0.074 A 
ATOM      3  C   LIG    1        0.828  -1.268  -0.300  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1        0.332  -2.125  -1.278  0.00  0.00    +0.090 A 
ATOM      5  N   LIG    1       -1.038  -2.122  -1.286  0.00  0.00    -0.229 NA
ATOM      6  C   LIG    1       -1.405  -1.273  -0.343  0.00  0.00    +0.148 A 
ATOM      7  C   LIG    1        1.224  -2.847  -2.085  0.00  0.00    +0.033 A 
ATOM      8  N   LIG    1       -0.299  -0.750   0.295  0.00  0.00    -0.328 N 
ATOM      9  C   LIG    1       -0.315   0.199   1.384  0.00  0.00    +0.150 C 
ATOM     10  C   LIG    1        2.600  -2.676  -1.891  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   1  11
ATOM     11  O   LIG    1        4.448  -1.713  -0.788  0.00  0.00    -0.456 OA
BRANCH  11  14
ATOM     12  C   LIG    1        6.222  -1.391   1.385  0.00  0.00    +0.047 C 
ATOM     13  C   LIG    1        5.897  -0.268   0.442  0.00  0.00    -0.008 A 
ATOM     14  C   LIG    1        4.993  -0.458  -0.617  0.00  0.00    +0.134 A 
ATOM     15  C   LIG    1        4.716   0.578  -1.514  0.00  0.00    +0.084 A 
ATOM     16  C   LIG    1        5.316   1.815  -1.325  0.00  0.00    +0.127 A 
ATOM     17  F   LIG    1        5.046   2.816  -2.173  0.00  0.00    -0.205 F 
ATOM     18  C   LIG    1        6.196   2.034  -0.270  0.00  0.00    +0.039 A 
ATOM     19  C   LIG    1        6.490   0.992   0.611  0.00  0.00    +0.010 A 
ENDBRANCH  11  14
ENDBRANCH   1  11
BRANCH   6  20
ATOM     20  C   LIG    1       -2.818  -0.935   0.013  0.00  0.00    +0.303 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -2.955   0.482  -0.107  0.00  0.00    -0.484 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -4.184   1.015   0.163  0.00  0.00    +0.122 A 
ATOM     23  C   LIG    1       -5.311   0.310   0.584  0.00  0.00    +0.060 A 
ATOM     24  C   LIG    1       -6.510   0.995   0.822  0.00  0.00    +0.062 A 
ATOM     25  C   LIG    1       -6.583   2.385   0.670  0.00  0.00    +0.015 A 
ATOM     26  C   LIG    1       -5.456   3.086   0.248  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -4.266   2.401  -0.007  0.00  0.00    +0.046 A 
BRANCH  24  28
ATOM     28  C   LIG    1       -7.681   0.214   1.278  0.00  0.00    +0.337 C 
ATOM     29  O   LIG    1       -7.598  -0.697   2.081  0.00  0.00    -0.245 OA
BRANCH  28  30
ATOM     30  O   LIG    1       -8.831   0.588   0.679  0.00  0.00    -0.477 OA
ATOM     31  H   LIG    1       -8.720   1.208  -0.066  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  24  28
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   6  20
TORSDOF 7