REMARK  Name = BDB052365
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.074   1.598   0.304  0.00  0.00    -0.027 A 
ATOM      2  C   LIG    1       -1.853   0.914   0.423  0.00  0.00    +0.050 A 
ATOM      3  C   LIG    1       -0.669   1.450  -0.093  0.00  0.00    +0.121 A 
ATOM      4  C   LIG    1       -0.704   2.688  -0.733  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1       -1.911   3.382  -0.853  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -3.089   2.842  -0.337  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -4.341   1.004   0.871  0.00  0.00    +0.147 C 
BRANCH   7   9
ATOM      8  C   LIG    1       -4.731  -1.464   0.912  0.00  0.00    +0.403 C 
ATOM      9  N   LIG    1       -4.689  -0.263   0.232  0.00  0.00    -0.252 N 
ATOM     10  O   LIG    1       -5.170  -2.502   0.427  0.00  0.00    -0.226 OA
BRANCH   8  12
ATOM     11  C   LIG    1       -4.250  -2.607   2.899  0.00  0.00    +0.282 C 
ATOM     12  O   LIG    1       -4.222  -1.379   2.170  0.00  0.00    -0.454 OA
ENDBRANCH   8  12
BRANCH   9  13
ATOM     13  C   LIG    1       -5.239  -0.225  -1.122  0.00  0.00    +0.231 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -6.736   0.046  -1.112  0.00  0.00    +0.322 C 
ATOM     15  O   LIG    1       -7.397   0.527  -0.205  0.00  0.00    -0.249 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -7.320  -0.248  -2.293  0.00  0.00    -0.480 OA
ATOM     17  H   LIG    1       -8.268  -0.045  -2.146  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH   9  13
ENDBRANCH   7   9
ENDBRANCH   1   7
BRANCH   3  18
ATOM     18  O   LIG    1        0.437   0.668   0.095  0.00  0.00    -0.486 OA
BRANCH  18  19
ATOM     19  C   LIG    1        1.678   1.162  -0.417  0.00  0.00    +0.287 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.796   0.213  -0.154  0.00  0.00    +0.117 A 
ATOM     21  N   LIG    1        4.100   0.536  -0.476  0.00  0.00    -0.211 NA
ATOM     22  C   LIG    1        4.798  -0.523  -0.109  0.00  0.00    +0.227 A 
ATOM     23  O   LIG    1        4.040  -1.528   0.434  0.00  0.00    -0.443 OA
ATOM     24  C   LIG    1        2.768  -1.047   0.399  0.00  0.00    +0.224 A 
BRANCH  22  25
ATOM     25  C   LIG    1        6.237  -0.758  -0.204  0.00  0.00    +0.037 A 
ATOM     26  C   LIG    1        6.826  -1.954   0.235  0.00  0.00    +0.014 A 
ATOM     27  C   LIG    1        8.207  -2.152   0.132  0.00  0.00    +0.021 A 
ATOM     28  C   LIG    1        9.011  -1.154  -0.413  0.00  0.00    +0.041 A 
ATOM     29 CL   LIG    1       10.709  -1.397  -0.540  0.00  0.00    -0.084 Cl
ATOM     30  C   LIG    1        8.447   0.040  -0.854  0.00  0.00    +0.021 A 
ATOM     31  C   LIG    1        7.066   0.235  -0.750  0.00  0.00    +0.014 A 
ENDBRANCH  22  25
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 10