REMARK  Name = BDB015680
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.061  -0.465  -0.753  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1        0.203   0.123   0.434  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1       -0.667  -0.260   1.379  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -1.571  -1.239   1.253  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1       -1.628  -1.856   0.058  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1       -0.817  -1.493  -0.999  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -2.650  -2.925  -0.063  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -2.354  -4.084  -0.682  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -3.278  -5.112  -0.811  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -2.873  -6.330  -1.495  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -4.570  -5.023  -0.296  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -5.428  -5.896  -0.386  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -4.894  -3.760   0.413  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -3.978  -2.789   0.516  0.00  0.00    +0.017 A 
ENDBRANCH   5   7
BRANCH   1  15
ATOM     15  N   LIG    1        1.008  -0.103  -1.738  0.00  0.00    -0.203 N 
ATOM     16  H   LIG    1        0.951  -0.568  -2.641  0.00  0.00    +0.175 HD
BRANCH  15  17
ATOM     17  S   LIG    1        1.347   1.525  -1.948  0.00  0.00    +0.047 S 
ATOM     18  O   LIG    1        0.157   2.299  -1.667  0.00  0.00    -0.155 OA
ATOM     19  O   LIG    1        1.958   1.592  -3.262  0.00  0.00    -0.155 OA
BRANCH  17  20
ATOM     20  C   LIG    1        2.635   1.877  -0.712  0.00  0.00    +0.148 C 
ATOM     21  C   LIG    1        3.806   0.907  -0.858  0.00  0.00    +0.033 C 
BRANCH  20  23
ATOM     22  C   LIG    1        4.061   3.798   0.205  0.00  0.00    +0.006 C 
ATOM     23  C   LIG    1        3.063   3.348  -0.852  0.00  0.00    +0.024 C 
ENDBRANCH  20  23
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   1  15
BRANCH   3  24
ATOM     24  O   LIG    1       -0.619   0.345   2.627  0.00  0.00    -0.418 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -0.188   1.647   2.625  0.00  0.00    +0.202 A 
ATOM     26  C   LIG    1       -0.906   2.657   1.986  0.00  0.00    +0.168 A 
ATOM     27  F   LIG    1       -2.052   2.374   1.350  0.00  0.00    -0.202 F 
ATOM     28  C   LIG    1       -0.452   3.975   2.005  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1        0.722   4.294   2.690  0.00  0.00    +0.006 A 
ATOM     30  C   LIG    1        1.431   3.292   3.354  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1        0.970   1.977   3.320  0.00  0.00    +0.168 A 
ATOM     32  F   LIG    1        1.669   1.026   3.957  0.00  0.00    -0.202 F 
ENDBRANCH  24  25
ENDBRANCH   3  24
TORSDOF 7