REMARK  Name = BDB015517
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.714  -0.928  -0.355  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1        1.835  -0.556   0.922  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1        0.684  -0.400   1.583  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -0.535  -0.704   1.108  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1       -0.598  -1.156  -0.159  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1        0.526  -1.292  -0.943  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -1.959  -1.478  -0.652  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -2.173  -2.598  -1.369  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -3.432  -2.953  -1.829  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1       -3.575  -4.192  -2.578  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -4.573  -2.198  -1.553  0.00  0.00    +0.254 A 
ATOM     12  O   LIG    1       -5.705  -2.496  -1.928  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1       -4.355  -0.957  -0.742  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -5.562  -0.133  -0.426  0.00  0.00    +0.049 C 
ATOM     15  C   LIG    1       -3.112  -0.648  -0.336  0.00  0.00    +0.020 A 
ENDBRANCH   5   7
BRANCH   1  16
ATOM     16  N   LIG    1        2.969  -1.144  -0.959  0.00  0.00    -0.204 N 
ATOM     17  H   LIG    1        3.434  -2.015  -0.712  0.00  0.00    +0.175 HD
BRANCH  16  18
ATOM     18  S   LIG    1        3.291  -0.584  -2.491  0.00  0.00    +0.044 S 
ATOM     19  O   LIG    1        2.089  -0.065  -3.110  0.00  0.00    -0.155 OA
ATOM     20  O   LIG    1        4.053  -1.640  -3.128  0.00  0.00    -0.155 OA
BRANCH  18  21
ATOM     21  C   LIG    1        4.420   0.770  -2.174  0.00  0.00    +0.188 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.800   1.893  -1.345  0.00  0.00    +0.024 C 
BRANCH  22  24
ATOM     23  C   LIG    1        5.967   2.795  -0.354  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1        4.729   3.098  -1.190  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        0.808   0.052   2.892  0.00  0.00    -0.421 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -0.278   0.722   3.407  0.00  0.00    +0.167 A 
ATOM     27  C   LIG    1       -0.841   1.841   2.780  0.00  0.00    +0.168 A 
ATOM     28  F   LIG    1       -0.331   2.303   1.627  0.00  0.00    -0.202 F 
ATOM     29  C   LIG    1       -1.929   2.500   3.341  0.00  0.00    +0.080 A 
ATOM     30  C   LIG    1       -2.439   2.042   4.549  0.00  0.00    +0.126 A 
ATOM     31  F   LIG    1       -3.490   2.668   5.098  0.00  0.00    -0.205 F 
ATOM     32  C   LIG    1       -1.871   0.950   5.207  0.00  0.00    +0.042 A 
ATOM     33  C   LIG    1       -0.779   0.290   4.638  0.00  0.00    +0.052 A 
ENDBRANCH  25  26
ENDBRANCH   3  25
TORSDOF 8