REMARK  Name = BDB016079
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.629  -1.728  -1.034  0.00  0.00    +0.067 A 
ATOM      2  C   LIG    1       -1.587  -0.654  -0.144  0.00  0.00    +0.133 A 
ATOM      3  N   LIG    1       -0.425  -0.045   0.173  0.00  0.00    -0.212 NA
ATOM      4  C   LIG    1        0.716  -0.492  -0.387  0.00  0.00    +0.162 A 
ATOM      5  N   LIG    1        0.772  -1.512  -1.255  0.00  0.00    -0.235 NA
ATOM      6  C   LIG    1       -0.403  -2.095  -1.564  0.00  0.00    +0.127 A 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1       -6.182  -4.327  -1.541  0.00  0.00    +0.075 C 
ATOM      8  C   LIG    1       -4.865  -3.663  -1.708  0.00  0.00    +0.099 A 
ATOM      9  S   LIG    1       -4.098  -2.877  -0.390  0.00  0.00    -0.051 S 
ATOM     10  C   LIG    1       -2.822  -2.451  -1.469  0.00  0.00    +0.137 A 
ATOM     11  N   LIG    1       -2.993  -2.932  -2.686  0.00  0.00    -0.141 NA
ATOM     12  N   LIG    1       -4.180  -3.618  -2.829  0.00  0.00    -0.146 NA
ENDBRANCH   1  10
BRANCH   4  13
ATOM     13  C   LIG    1        1.977   0.187  -0.027  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        3.221  -0.264  -0.517  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        4.431   0.368  -0.184  0.00  0.00    -0.014 A 
ATOM     16  C   LIG    1        4.395   1.484   0.659  0.00  0.00    +0.008 A 
ATOM     17  C   LIG    1        3.182   1.954   1.159  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        1.990   1.311   0.820  0.00  0.00    +0.011 A 
BRANCH  15  19
ATOM     19  C   LIG    1        5.686  -0.132  -0.721  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1        6.922  -0.005  -0.117  0.00  0.00    +0.116 A 
ATOM     21  N   LIG    1        7.819  -0.621  -0.941  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1        9.240  -0.753  -0.735  0.00  0.00    +0.172 C 
ATOM     23  N   LIG    1        7.260  -1.147  -2.045  0.00  0.00    -0.179 NA
ATOM     24  C   LIG    1        5.964  -0.851  -1.908  0.00  0.00    +0.142 A 
ENDBRANCH  15  19
ENDBRANCH   4  13
BRANCH   2  25
ATOM     25  N   LIG    1       -2.776  -0.123   0.401  0.00  0.00    -0.325 N 
ATOM     26  H   LIG    1       -3.297  -0.893   0.820  0.00  0.00    +0.148 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -2.652   1.028   1.305  0.00  0.00    +0.075 C 
ATOM     28  C   LIG    1       -3.920   1.064   2.190  0.00  0.00    +0.045 C 
ATOM     29  C   LIG    1       -4.229   2.451   2.720  0.00  0.00    +0.167 C 
ATOM     30  S   LIG    1       -4.709   3.539   1.387  0.00  0.00    -0.031 S 
ATOM     31  O   LIG    1       -4.235   4.867   1.722  0.00  0.00    -0.174 OA
ATOM     32  O   LIG    1       -6.108   3.293   1.096  0.00  0.00    -0.174 OA
ATOM     33  C   LIG    1       -3.747   2.936   0.008  0.00  0.00    +0.167 C 
ATOM     34  C   LIG    1       -2.442   2.324   0.490  0.00  0.00    +0.045 C 
ENDBRANCH  25  27
ENDBRANCH   2  25
TORSDOF 5