REMARK  Name = BDB023073
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.396   1.280  -1.024  0.00  0.00    +0.252 C 
ATOM      2  C   LIG    1        0.108   0.722  -2.428  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1       -1.357   0.318  -2.329  0.00  0.00    +0.179 C 
ATOM      4  C   LIG    1       -1.900   1.362  -1.361  0.00  0.00    +0.185 C 
ATOM      5  O   LIG    1       -0.865   1.534  -0.370  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   1  11
ATOM      6  N   LIG    1        4.738  -1.711   1.868  0.00  0.00    -0.064 NA
ATOM      7  C   LIG    1        4.327  -0.633   1.278  0.00  0.00    +0.203 A 
ATOM      8  C   LIG    1        2.949  -0.576   0.813  0.00  0.00    +0.064 A 
ATOM      9  C   LIG    1        1.854  -1.467   0.890  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1        0.784  -0.854   0.265  0.00  0.00    +0.091 A 
ATOM     11  N   LIG    1        1.194   0.379  -0.204  0.00  0.00    -0.305 N 
ATOM     12  C   LIG    1        2.502   0.545   0.153  0.00  0.00    +0.125 A 
ATOM     13  N   LIG    1        3.313   1.598  -0.061  0.00  0.00    -0.332 N 
ATOM     14  H   LIG    1        3.005   2.502  -0.398  0.00  0.00    +0.168 HD
ATOM     15  C   LIG    1        4.595   1.495   0.438  0.00  0.00    +0.200 A 
ATOM     16  N   LIG    1        5.121   0.485   1.054  0.00  0.00    -0.215 NA
BRANCH   6  18
ATOM     17  C   LIG    1        6.464  -2.792   2.922  0.00  0.00    +0.313 C 
ATOM     18  O   LIG    1        6.087  -1.599   2.250  0.00  0.00    -0.395 OA
ENDBRANCH   6  18
ENDBRANCH   1  11
BRANCH   2  19
ATOM     19  O   LIG    1        0.223   1.743  -3.441  0.00  0.00    -0.385 OA
ATOM     20  H   LIG    1        1.170   1.830  -3.656  0.00  0.00    +0.210 HD
ENDBRANCH   2  19
BRANCH   3  21
ATOM     21  O   LIG    1       -2.012   0.350  -3.590  0.00  0.00    -0.386 OA
ATOM     22  H   LIG    1       -1.533   1.023  -4.119  0.00  0.00    +0.210 HD
ENDBRANCH   3  21
BRANCH   4  23
ATOM     23  C   LIG    1       -3.284   1.018  -0.760  0.00  0.00    +0.179 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.285  -0.216   0.128  0.00  0.00    -0.014 A 
ATOM     25  C   LIG    1       -2.811  -0.160   1.449  0.00  0.00    +0.046 A 
ATOM     26  C   LIG    1       -2.811  -1.301   2.249  0.00  0.00    +0.142 A 
ATOM     27  F   LIG    1       -2.350  -1.208   3.505  0.00  0.00    -0.204 F 
ATOM     28  C   LIG    1       -3.279  -2.513   1.751  0.00  0.00    +0.076 A 
ATOM     29 CL   LIG    1       -3.276  -3.928   2.730  0.00  0.00    -0.081 Cl
ATOM     30  C   LIG    1       -3.754  -2.587   0.442  0.00  0.00    +0.023 A 
ATOM     31  C   LIG    1       -3.759  -1.444  -0.365  0.00  0.00    +0.008 A 
ENDBRANCH  23  24
BRANCH  23  32
ATOM     32  O   LIG    1       -3.768   2.116   0.034  0.00  0.00    -0.373 OA
ATOM     33  C   LIG    1       -4.559   3.035  -0.706  0.00  0.00    +0.194 C 
ENDBRANCH  23  32
ENDBRANCH   4  23
TORSDOF 7