REMARK  Name = BDB047866
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.968   1.249   0.785  0.00  0.00    -0.044 A 
ATOM      2  C   LIG    1       -2.212   1.925  -0.187  0.00  0.00    +0.013 A 
ATOM      3  C   LIG    1       -1.040   1.336  -0.703  0.00  0.00    +0.000 A 
ATOM      4  C   LIG    1       -0.088   1.748  -1.675  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1        0.859   0.757  -1.778  0.00  0.00    +0.087 A 
ATOM      6  N   LIG    1        0.532  -0.238  -0.886  0.00  0.00    -0.341 N 
ATOM      7  C   LIG    1       -0.643   0.082  -0.230  0.00  0.00    +0.049 A 
ATOM      8  C   LIG    1       -1.387  -0.609   0.740  0.00  0.00    +0.026 A 
ATOM      9  C   LIG    1       -2.549  -0.007   1.234  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   1  10
ATOM     10  C   LIG    1       -4.244   1.866   1.313  0.00  0.00    +0.078 C 
BRANCH  10  11
ATOM     11  C   LIG    1       -5.428   1.665   0.363  0.00  0.00    +0.230 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -6.580   2.558   0.824  0.00  0.00    +0.334 C 
ATOM     13  O   LIG    1       -6.549   3.779   0.853  0.00  0.00    -0.248 OA
BRANCH  12  14
ATOM     14  O   LIG    1       -7.665   1.839   1.211  0.00  0.00    -0.479 OA
ATOM     15  H   LIG    1       -7.436   0.884   1.109  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  11  12
BRANCH  11  16
ATOM     16  O   LIG    1       -5.903   0.300   0.440  0.00  0.00    -0.365 OA
BRANCH  16  18
ATOM     17  C   LIG    1       -6.676  -0.204  -1.803  0.00  0.00    +0.034 C 
ATOM     18  C   LIG    1       -5.625  -0.463  -0.739  0.00  0.00    +0.157 C 
ENDBRANCH  16  18
ENDBRANCH  11  16
ENDBRANCH  10  11
ENDBRANCH   1  10
BRANCH   6  19
ATOM     19  C   LIG    1        1.315  -1.456  -0.705  0.00  0.00    +0.180 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.604  -1.183  -0.015  0.00  0.00    +0.102 A 
ATOM     21  C   LIG    1        2.857  -0.561   1.192  0.00  0.00    +0.127 A 
ATOM     22  C   LIG    1        2.030   0.072   2.235  0.00  0.00    +0.088 C 
ATOM     23  O   LIG    1        4.209  -0.563   1.391  0.00  0.00    -0.440 OA
ATOM     24  C   LIG    1        4.718  -1.196   0.290  0.00  0.00    +0.228 A 
ATOM     25  N   LIG    1        3.801  -1.596  -0.570  0.00  0.00    -0.212 NA
BRANCH  24  26
ATOM     26  C   LIG    1        6.168  -1.346   0.224  0.00  0.00    +0.040 A 
ATOM     27  C   LIG    1        6.742  -2.044  -0.849  0.00  0.00    +0.033 A 
ATOM     28  C   LIG    1        8.126  -2.199  -0.933  0.00  0.00    +0.043 A 
ATOM     29 CL   LIG    1        8.807  -3.067  -2.253  0.00  0.00    -0.083 Cl
ATOM     30  C   LIG    1        8.961  -1.662   0.041  0.00  0.00    +0.040 A 
ATOM     31  C   LIG    1        8.397  -0.969   1.108  0.00  0.00    +0.043 A 
ATOM     32 CL   LIG    1        9.418  -0.301   2.322  0.00  0.00    -0.083 Cl
ATOM     33  C   LIG    1        7.014  -0.809   1.206  0.00  0.00    +0.033 A 
ENDBRANCH  24  26
ENDBRANCH  19  20
ENDBRANCH   6  19
TORSDOF 9