REMARK  Name = BDB047893
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.905   0.396  -1.661  0.00  0.00    +0.224 A 
ATOM      2  C   LIG    1        2.825   0.001  -0.701  0.00  0.00    +0.065 A 
ATOM      3  C   LIG    1        2.261  -0.339   0.529  0.00  0.00    +0.120 A 
ATOM      4  C   LIG    1        3.145  -0.747   1.540  0.00  0.00    +0.143 A 
ATOM      5  C   LIG    1        4.529  -0.817   1.348  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1        5.069  -0.473   0.114  0.00  0.00    +0.004 A 
ATOM      7  N   LIG    1        0.929  -0.277   0.730  0.00  0.00    -0.223 NA
ATOM      8  C   LIG    1        0.137   0.122  -0.282  0.00  0.00    +0.164 A 
ATOM      9  C   LIG    1        4.222  -0.064  -0.911  0.00  0.00    +0.015 A 
ATOM     10  N   LIG    1        0.581   0.470  -1.502  0.00  0.00    -0.193 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1       -1.319   0.180  -0.031  0.00  0.00    +0.019 A 
ATOM     12  C   LIG    1       -2.225   0.587  -1.028  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1       -3.604   0.641  -0.789  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1       -4.126   0.281   0.460  0.00  0.00    +0.055 A 
ATOM     15  C   LIG    1       -3.239  -0.117   1.466  0.00  0.00    +0.013 A 
ATOM     16  C   LIG    1       -1.861  -0.169   1.220  0.00  0.00    +0.012 A 
BRANCH  14  17
ATOM     17  C   LIG    1       -5.609   0.361   0.727  0.00  0.00    +0.417 C 
ATOM     18  F   LIG    1       -6.365   0.125  -0.383  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1       -5.989   1.586   1.183  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1       -6.035  -0.535   1.661  0.00  0.00    -0.166 F 
ENDBRANCH  14  17
ENDBRANCH   8  11
BRANCH   1  21
ATOM     21  O   LIG    1        2.307   0.758  -2.911  0.00  0.00    -0.492 OA
ATOM     22  H   LIG    1        1.448   0.969  -3.317  0.00  0.00    +0.294 HD
ENDBRANCH   1  21
BRANCH   4  23
ATOM     23  O   LIG    1        2.628  -1.091   2.769  0.00  0.00    -0.505 OA
ATOM     24  H   LIG    1        3.350  -1.350   3.362  0.00  0.00    +0.292 HD
ENDBRANCH   4  23
TORSDOF 4