REMARK  Name = BDB000901
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.701  -0.319  -0.709  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        0.798   0.749  -0.648  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1       -0.579   0.530  -0.757  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -1.077  -0.765  -0.931  0.00  0.00    -0.046 A 
ATOM      5  C   LIG    1       -0.176  -1.833  -0.985  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1        1.202  -1.611  -0.875  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1        4.096  -2.080  -0.949  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        4.140  -0.887  -0.678  0.00  0.00    +0.248 C 
ATOM      9  N   LIG    1        3.072  -0.012  -0.585  0.00  0.00    -0.282 N 
ATOM     10  H   LIG    1        3.288   0.971  -0.484  0.00  0.00    +0.155 HD
BRANCH   8  11
ATOM     11  C   LIG    1        5.477  -0.267  -0.455  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1        5.675   0.736   0.504  0.00  0.00    +0.025 A 
ATOM     13  C   LIG    1        6.950   1.300   0.692  0.00  0.00    +0.056 A 
ATOM     14  C   LIG    1        8.023   0.828  -0.079  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1        7.831  -0.184  -1.021  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        6.562  -0.734  -1.206  0.00  0.00    +0.013 A 
BRANCH  13  17
ATOM     17  C   LIG    1        7.166   2.366   1.739  0.00  0.00    +0.417 C 
ATOM     18  F   LIG    1        6.081   3.176   1.892  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1        7.418   1.841   2.968  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1        8.210   3.192   1.458  0.00  0.00    -0.166 F 
ENDBRANCH  13  17
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   4  21
ATOM     21  C   LIG    1       -2.564  -1.005  -1.026  0.00  0.00    +0.054 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.198  -1.176   0.359  0.00  0.00    +0.107 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -4.629  -1.442   0.258  0.00  0.00    -0.328 N 
ATOM     24  H   LIG    1       -4.976  -2.162   0.883  0.00  0.00    +0.147 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -5.479  -0.335   0.227  0.00  0.00    +0.136 A 
ATOM     26  C   LIG    1       -6.828  -0.424   0.601  0.00  0.00    +0.077 A 
ATOM     27  C   LIG    1       -7.631   0.711   0.538  0.00  0.00    +0.083 A 
ATOM     28  C   LIG    1       -8.970   0.449   0.953  0.00  0.00    +0.036 A 
ATOM     29  C   LIG    1       -9.160  -0.864   1.321  0.00  0.00    +0.048 A 
ATOM     30  N   LIG    1       -7.168   1.915   0.125  0.00  0.00    -0.235 NA
ATOM     31  C   LIG    1       -5.877   1.907  -0.215  0.00  0.00    +0.223 A 
ATOM     32  S   LIG    1       -7.727  -1.782   1.168  0.00  0.00    -0.092 S 
ATOM     33  N   LIG    1       -5.026   0.871  -0.183  0.00  0.00    -0.220 NA
ENDBRANCH  23  25
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   4  21
TORSDOF 7