REMARK  Name = BDB052375
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.756  -1.078  -0.321  0.00  0.00    -0.027 A 
ATOM      2  C   LIG    1       -1.558  -0.711   0.311  0.00  0.00    +0.050 A 
ATOM      3  C   LIG    1       -0.369  -0.575  -0.413  0.00  0.00    +0.121 A 
ATOM      4  C   LIG    1       -0.376  -0.811  -1.788  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1       -1.561  -1.179  -2.429  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -2.744  -1.311  -1.702  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -4.033  -1.212   0.472  0.00  0.00    +0.147 C 
BRANCH   7   9
ATOM      8  C   LIG    1       -6.152  -0.357  -0.533  0.00  0.00    +0.403 C 
ATOM      9  N   LIG    1       -4.984  -0.148   0.167  0.00  0.00    -0.252 N 
ATOM     10  O   LIG    1       -7.035   0.496  -0.583  0.00  0.00    -0.226 OA
BRANCH   8  12
ATOM     11  C   LIG    1       -7.445  -1.821  -1.822  0.00  0.00    +0.282 C 
ATOM     12  O   LIG    1       -6.230  -1.581  -1.109  0.00  0.00    -0.454 OA
ENDBRANCH   8  12
BRANCH   9  13
ATOM     13  C   LIG    1       -4.743   1.174   0.741  0.00  0.00    +0.231 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -5.482   1.366   2.059  0.00  0.00    +0.322 C 
ATOM     15  O   LIG    1       -4.920   1.542   3.132  0.00  0.00    -0.249 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -6.831   1.349   1.942  0.00  0.00    -0.480 OA
ATOM     17  H   LIG    1       -7.136   1.211   1.012  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        0.713  -0.209   0.338  0.00  0.00    -0.486 OA
BRANCH  18  19
ATOM     19  C   LIG    1        1.960  -0.054  -0.347  0.00  0.00    +0.285 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.064   0.353   0.585  0.00  0.00    +0.086 A 
ATOM     21  N   LIG    1        4.369   0.352   0.105  0.00  0.00    -0.241 NA
ATOM     22  C   LIG    1        5.221   0.735   1.040  0.00  0.00    +0.109 A 
ATOM     23  S   LIG    1        4.481   1.121   2.549  0.00  0.00    -0.075 S 
ATOM     24  C   LIG    1        2.944   0.751   1.901  0.00  0.00    +0.074 A 
BRANCH  22  25
ATOM     25  C   LIG    1        6.682   0.830   0.828  0.00  0.00    +0.007 A 
ATOM     26  C   LIG    1        7.586   1.265   1.813  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1        8.961   1.334   1.553  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1        9.451   0.968   0.303  0.00  0.00    +0.041 A 
ATOM     29 CL   LIG    1       11.139   1.053  -0.014  0.00  0.00    -0.084 Cl
ATOM     30  C   LIG    1        8.580   0.534  -0.690  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1        7.208   0.467  -0.427  0.00  0.00    +0.012 A 
ENDBRANCH  22  25
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 10