REMARK  Name = BDB015539
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.168   0.057  -0.548  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1       -0.802  -0.854  -0.493  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1       -1.922  -0.462   0.130  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -2.129   0.755   0.653  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1       -1.124   1.649   0.546  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1        0.063   1.341  -0.080  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -1.363   2.996   1.128  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1       -2.619   3.487   1.137  0.00  0.00    +0.099 A 
ATOM      9  N   LIG    1       -2.934   4.738   1.655  0.00  0.00    -0.315 N 
ATOM     10  C   LIG    1       -4.319   5.179   1.605  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -1.968   5.585   2.208  0.00  0.00    +0.286 A 
ATOM     12  O   LIG    1       -2.197   6.705   2.655  0.00  0.00    -0.265 OA
ATOM     13  C   LIG    1       -0.588   5.025   2.223  0.00  0.00    +0.188 A 
ATOM     14  F   LIG    1        0.373   5.789   2.777  0.00  0.00    -0.200 F 
ATOM     15  C   LIG    1       -0.315   3.817   1.720  0.00  0.00    +0.055 A 
ENDBRANCH   5   7
BRANCH   1  16
ATOM     16  N   LIG    1        1.299  -0.442  -1.246  0.00  0.00    -0.204 N 
ATOM     17  H   LIG    1        1.048  -1.397  -1.516  0.00  0.00    +0.175 HD
BRANCH  16  18
ATOM     18  S   LIG    1        2.728  -0.493  -0.335  0.00  0.00    +0.044 S 
ATOM     19  O   LIG    1        2.970   0.819   0.225  0.00  0.00    -0.155 OA
ATOM     20  O   LIG    1        2.650  -1.674   0.495  0.00  0.00    -0.155 OA
BRANCH  18  21
ATOM     21  C   LIG    1        3.915  -0.782  -1.641  0.00  0.00    +0.188 C 
BRANCH  21  22
ATOM     22  C   LIG    1        5.314  -1.113  -1.127  0.00  0.00    +0.024 C 
BRANCH  22  24
ATOM     23  C   LIG    1        7.477  -0.260  -0.157  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1        6.038   0.085  -0.510  0.00  0.00    -0.002 C 
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   1  16
BRANCH   3  25
ATOM     25  O   LIG    1       -2.990  -1.343   0.270  0.00  0.00    -0.423 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -2.821  -2.595  -0.278  0.00  0.00    +0.138 A 
ATOM     27  C   LIG    1       -2.240  -3.619   0.492  0.00  0.00    -0.008 A 
ATOM     28  C   LIG    1       -1.742  -3.370   1.887  0.00  0.00    +0.047 C 
ATOM     29  C   LIG    1       -2.084  -4.886  -0.086  0.00  0.00    +0.007 A 
ATOM     30  C   LIG    1       -2.530  -5.134  -1.384  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -3.141  -4.120  -2.122  0.00  0.00    +0.007 A 
ATOM     32  C   LIG    1       -3.308  -2.843  -1.574  0.00  0.00    -0.008 A 
ATOM     33  C   LIG    1       -3.960  -1.759  -2.383  0.00  0.00    +0.047 C 
ENDBRANCH  25  26
ENDBRANCH   3  25
TORSDOF 8