REMARK  Name = BDB015799
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.199  -0.682  -0.971  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1        0.391  -1.739  -1.078  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1       -0.879  -1.520  -0.719  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -1.388  -0.337  -0.335  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1       -0.532   0.701  -0.260  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1        0.795   0.578  -0.606  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -1.128   1.992   0.168  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -0.433   2.834   0.958  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -0.953   4.047   1.389  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -0.128   4.892   2.238  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -2.234   4.473   1.048  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -2.742   5.537   1.390  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -3.019   3.536   0.205  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -2.485   2.376  -0.195  0.00  0.00    +0.017 A 
ENDBRANCH   5   7
BRANCH   1  15
ATOM     15  N   LIG    1        2.512  -0.992  -1.415  0.00  0.00    -0.204 N 
ATOM     16  H   LIG    1        2.493  -1.987  -1.652  0.00  0.00    +0.175 HD
BRANCH  15  17
ATOM     17  S   LIG    1        3.744  -0.732  -0.281  0.00  0.00    +0.044 S 
ATOM     18  O   LIG    1        3.777  -1.904   0.563  0.00  0.00    -0.155 OA
ATOM     19  O   LIG    1        3.616   0.602   0.266  0.00  0.00    -0.155 OA
BRANCH  17  20
ATOM     20  C   LIG    1        5.166  -0.754  -1.366  0.00  0.00    +0.188 C 
BRANCH  20  22
ATOM     21  C   LIG    1        6.969  -1.438   0.302  0.00  0.00    +0.005 C 
ATOM     22  C   LIG    1        6.466  -0.376  -0.664  0.00  0.00    +0.021 C 
ENDBRANCH  20  22
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   1  15
BRANCH   3  23
ATOM     23  O   LIG    1       -1.724  -2.615  -0.857  0.00  0.00    -0.420 OA
BRANCH  23  24
ATOM     24  C   LIG    1       -2.921  -2.537  -0.184  0.00  0.00    +0.173 A 
ATOM     25  C   LIG    1       -2.950  -2.578   1.212  0.00  0.00    +0.201 A 
ATOM     26  F   LIG    1       -1.808  -2.676   1.909  0.00  0.00    -0.199 F 
ATOM     27  C   LIG    1       -4.165  -2.525   1.880  0.00  0.00    +0.162 A 
ATOM     28  F   LIG    1       -4.201  -2.559   3.219  0.00  0.00    -0.202 F 
ATOM     29  C   LIG    1       -5.359  -2.446   1.170  0.00  0.00    +0.042 A 
ATOM     30  C   LIG    1       -5.336  -2.427  -0.227  0.00  0.00    +0.010 A 
ATOM     31  C   LIG    1       -4.117  -2.484  -0.921  0.00  0.00    -0.005 A 
ATOM     32  C   LIG    1       -4.097  -2.458  -2.422  0.00  0.00    +0.047 C 
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 7