REMARK  Name = BDB023052
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.910  -2.576   0.692  0.00  0.00    +0.252 C 
ATOM      2  C   LIG    1        0.368  -2.433   2.128  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1       -1.057  -1.942   1.902  0.00  0.00    +0.179 C 
ATOM      4  C   LIG    1       -1.391  -2.663   0.605  0.00  0.00    +0.185 C 
ATOM      5  O   LIG    1       -0.220  -2.447  -0.220  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   1  11
ATOM      6  N   LIG    1        4.311   2.280  -0.376  0.00  0.00    -0.064 NA
ATOM      7  C   LIG    1        3.142   1.720  -0.377  0.00  0.00    +0.203 A 
ATOM      8  C   LIG    1        3.045   0.312  -0.022  0.00  0.00    +0.064 A 
ATOM      9  C   LIG    1        3.994  -0.679   0.319  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1        3.294  -1.846   0.560  0.00  0.00    +0.091 A 
ATOM     11  N   LIG    1        1.943  -1.598   0.380  0.00  0.00    -0.305 N 
ATOM     12  C   LIG    1        1.811  -0.294   0.012  0.00  0.00    +0.125 A 
ATOM     13  N   LIG    1        0.692   0.388  -0.284  0.00  0.00    -0.332 N 
ATOM     14  H   LIG    1       -0.196  -0.066  -0.474  0.00  0.00    +0.168 HD
ATOM     15  C   LIG    1        0.854   1.706  -0.651  0.00  0.00    +0.200 A 
ATOM     16  N   LIG    1        1.962   2.377  -0.700  0.00  0.00    -0.215 NA
BRANCH   6  18
ATOM     17  C   LIG    1        5.533   4.186  -0.736  0.00  0.00    +0.313 C 
ATOM     18  O   LIG    1        4.224   3.635  -0.740  0.00  0.00    -0.395 OA
ENDBRANCH   6  18
ENDBRANCH   1  11
BRANCH   2  19
ATOM     19  O   LIG    1        0.343  -3.714   2.782  0.00  0.00    -0.385 OA
ATOM     20  H   LIG    1       -0.463  -3.732   3.337  0.00  0.00    +0.210 HD
ENDBRANCH   2  19
BRANCH   3  21
ATOM     21  O   LIG    1       -1.914  -2.291   2.979  0.00  0.00    -0.386 OA
ATOM     22  H   LIG    1       -1.717  -1.688   3.721  0.00  0.00    +0.210 HD
ENDBRANCH   3  21
BRANCH   4  23
ATOM     23  C   LIG    1       -2.697  -2.278  -0.111  0.00  0.00    +0.176 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -2.862  -0.813  -0.467  0.00  0.00    -0.017 A 
ATOM     25  C   LIG    1       -2.495  -0.308  -1.723  0.00  0.00    +0.007 A 
ATOM     26  C   LIG    1       -2.683   1.041  -2.036  0.00  0.00    +0.013 A 
ATOM     27  C   LIG    1       -3.246   1.919  -1.100  0.00  0.00    +0.055 A 
ATOM     28  C   LIG    1       -3.601   1.422   0.162  0.00  0.00    +0.013 A 
ATOM     29  C   LIG    1       -3.419   0.071   0.470  0.00  0.00    +0.007 A 
BRANCH  27  30
ATOM     30  C   LIG    1       -3.438   3.379  -1.434  0.00  0.00    +0.417 C 
ATOM     31  F   LIG    1       -3.704   3.597  -2.751  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1       -4.462   3.956  -0.745  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1       -2.330   4.116  -1.147  0.00  0.00    -0.166 F 
ENDBRANCH  27  30
ENDBRANCH  23  24
BRANCH  23  34
ATOM     34  O   LIG    1       -2.820  -3.066  -1.305  0.00  0.00    -0.385 OA
ATOM     35  H   LIG    1       -1.913  -3.241  -1.619  0.00  0.00    +0.210 HD
ENDBRANCH  23  34
ENDBRANCH   4  23
TORSDOF 8