REMARK  Name = BDB015704
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.127   0.867   0.923  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1       -0.805  -0.227   1.270  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1       -1.931  -0.448   0.575  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -2.430   0.359  -0.371  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1       -1.718   1.465  -0.669  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1       -0.548   1.778  -0.012  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -2.300   2.337  -1.724  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -1.499   3.016  -2.571  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -2.002   3.828  -3.578  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -1.060   4.531  -4.436  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -3.367   3.997  -3.791  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -3.868   4.711  -4.654  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -4.257   3.231  -2.882  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -3.738   2.456  -1.922  0.00  0.00    +0.017 A 
ENDBRANCH   5   7
BRANCH   1  15
ATOM     15  N   LIG    1        1.028   1.026   1.714  0.00  0.00    -0.203 N 
ATOM     16  H   LIG    1        1.047   0.391   2.509  0.00  0.00    +0.175 HD
BRANCH  15  17
ATOM     17  S   LIG    1        2.518   1.336   1.030  0.00  0.00    +0.047 S 
ATOM     18  O   LIG    1        2.347   2.067  -0.207  0.00  0.00    -0.155 OA
ATOM     19  O   LIG    1        3.296   1.898   2.115  0.00  0.00    -0.155 OA
BRANCH  17  20
ATOM     20  C   LIG    1        3.229  -0.310   0.650  0.00  0.00    +0.151 C 
BRANCH  20  22
ATOM     21  C   LIG    1        2.784  -2.525  -0.598  0.00  0.00    +0.006 C 
ATOM     22  C   LIG    1        2.267  -1.144  -0.216  0.00  0.00    +0.024 C 
ENDBRANCH  20  22
BRANCH  20  23
ATOM     23  C   LIG    1        4.606  -0.143  -0.033  0.00  0.00    +0.024 C 
ATOM     24  C   LIG    1        5.684   0.471   0.851  0.00  0.00    +0.006 C 
ENDBRANCH  20  23
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   1  15
BRANCH   3  25
ATOM     25  O   LIG    1       -2.719  -1.550   0.880  0.00  0.00    -0.420 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -2.077  -2.596   1.500  0.00  0.00    +0.170 A 
ATOM     27  C   LIG    1       -1.100  -3.332   0.825  0.00  0.00    +0.166 A 
ATOM     28  F   LIG    1       -0.752  -3.006  -0.428  0.00  0.00    -0.202 F 
ATOM     29  C   LIG    1       -0.476  -4.413   1.437  0.00  0.00    +0.042 A 
ATOM     30  C   LIG    1       -0.839  -4.771   2.734  0.00  0.00    +0.003 A 
ATOM     31  C   LIG    1       -1.831  -4.052   3.409  0.00  0.00    +0.007 A 
ATOM     32  C   LIG    1       -2.472  -2.965   2.795  0.00  0.00    -0.005 A 
ATOM     33  C   LIG    1       -3.534  -2.197   3.527  0.00  0.00    +0.047 C 
ENDBRANCH  25  26
ENDBRANCH   3  25
TORSDOF 8