REMARK  Name = BDB028671
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.713  -0.390   0.436  0.00  0.00    +0.135 A 
ATOM      2  C   LIG    1        0.688   0.788   1.203  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        1.894   1.274   1.677  0.00  0.00    +0.173 A 
ATOM      4  O   LIG    1        1.685   2.452   2.324  0.00  0.00    -0.353 OA
ATOM      5  N   LIG    1        0.336   2.763   2.291  0.00  0.00    -0.060 NA
ATOM      6  C   LIG    1        3.126   0.646   1.498  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1        3.128  -0.568   0.784  0.00  0.00    -0.019 A 
ATOM      8  C   LIG    1       -0.255   1.733   1.677  0.00  0.00    +0.192 A 
ATOM      9  C   LIG    1        1.927  -1.074   0.260  0.00  0.00    +0.052 A 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1       -0.649  -0.357  -1.411  0.00  0.00    +0.277 C 
ATOM     11  O   LIG    1       -0.423  -0.932  -0.121  0.00  0.00    -0.494 OA
ENDBRANCH   1  11
BRANCH   8  12
ATOM     12  N   LIG    1       -1.638   1.735   1.507  0.00  0.00    -0.196 N 
ATOM     13  H   LIG    1       -2.031   2.638   1.782  0.00  0.00    +0.175 HD
BRANCH  12  14
ATOM     14  S   LIG    1       -2.545   0.556   2.318  0.00  0.00    +0.076 S 
ATOM     15  O   LIG    1       -3.475   1.263   3.172  0.00  0.00    -0.150 OA
ATOM     16  O   LIG    1       -1.666  -0.458   2.861  0.00  0.00    -0.150 OA
BRANCH  14  17
ATOM     17  C   LIG    1       -3.489  -0.174   1.024  0.00  0.00    +0.144 A 
ATOM     18  C   LIG    1       -4.254   0.646   0.201  0.00  0.00    +0.153 A 
ATOM     19  F   LIG    1       -4.260   1.975   0.383  0.00  0.00    -0.203 F 
ATOM     20  C   LIG    1       -5.016   0.098  -0.836  0.00  0.00    -0.013 A 
ATOM     21  C   LIG    1       -5.858   0.966  -1.722  0.00  0.00    +0.047 C 
ATOM     22  C   LIG    1       -5.011  -1.293  -1.018  0.00  0.00    +0.006 A 
ATOM     23  C   LIG    1       -4.246  -2.116  -0.188  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -3.481  -1.559   0.837  0.00  0.00    +0.032 A 
ENDBRANCH  14  17
ENDBRANCH  12  14
ENDBRANCH   8  12
BRANCH   7  25
ATOM     25  C   LIG    1        4.426  -1.311   0.571  0.00  0.00    +0.178 C 
BRANCH  25  26
ATOM     26  N   LIG    1        5.272  -0.637  -0.404  0.00  0.00    -0.267 N 
ATOM     27  N   LIG    1        6.283   0.154   0.010  0.00  0.00    -0.179 NA
ATOM     28  C   LIG    1        6.837   0.582  -1.127  0.00  0.00    +0.134 A 
ATOM     29  C   LIG    1        6.195   0.061  -2.265  0.00  0.00    +0.041 A 
ATOM     30  C   LIG    1        5.188  -0.732  -1.767  0.00  0.00    +0.108 A 
ENDBRANCH  25  26
ENDBRANCH   7  25
TORSDOF 6