REMARK  Name = BDB015646
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.958  -0.844  -0.384  0.00  0.00    +0.142 A 
ATOM      2  N   LIG    1       -0.791  -1.308   0.065  0.00  0.00    -0.211 NA
ATOM      3  C   LIG    1        0.144  -0.383   0.327  0.00  0.00    +0.166 A 
ATOM      4  N   LIG    1       -0.037   0.944   0.169  0.00  0.00    -0.227 NA
ATOM      5  C   LIG    1       -1.218   1.356  -0.336  0.00  0.00    +0.078 A 
ATOM      6  C   LIG    1       -2.239   0.478  -0.620  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -1.378   2.816  -0.558  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -0.800   3.671   0.307  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -0.910   5.048   0.178  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -0.257   5.890   1.167  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -1.621   5.645  -0.859  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -1.768   6.854  -1.016  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -2.233   4.710  -1.838  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -2.107   3.386  -1.683  0.00  0.00    +0.017 A 
ENDBRANCH   5   7
BRANCH   3  15
ATOM     15  C   LIG    1        1.418  -0.817   0.924  0.00  0.00    +0.061 A 
ATOM     16  C   LIG    1        2.157  -1.924   0.450  0.00  0.00    +0.131 A 
ATOM     17  C   LIG    1        3.348  -2.292   1.093  0.00  0.00    +0.046 A 
ATOM     18  C   LIG    1        3.825  -1.570   2.189  0.00  0.00    +0.007 A 
ATOM     19  C   LIG    1        3.132  -0.456   2.657  0.00  0.00    -0.050 A 
ATOM     20  C   LIG    1        3.624   0.310   3.848  0.00  0.00    +0.044 C 
ATOM     21  C   LIG    1        1.933  -0.098   2.028  0.00  0.00    +0.018 A 
BRANCH  16  22
ATOM     22  O   LIG    1        1.665  -2.570  -0.658  0.00  0.00    -0.494 OA
ATOM     23  C   LIG    1        2.386  -3.692  -1.149  0.00  0.00    +0.277 C 
ENDBRANCH  16  22
ENDBRANCH   3  15
BRANCH   1  24
ATOM     24  N   LIG    1       -2.902  -1.856  -0.670  0.00  0.00    -0.204 N 
ATOM     25  H   LIG    1       -3.864  -1.654  -0.406  0.00  0.00    +0.175 HD
BRANCH  24  26
ATOM     26  S   LIG    1       -2.854  -2.453  -2.237  0.00  0.00    +0.044 S 
ATOM     27  O   LIG    1       -4.087  -3.196  -2.398  0.00  0.00    -0.155 OA
ATOM     28  O   LIG    1       -2.545  -1.364  -3.139  0.00  0.00    -0.155 OA
BRANCH  26  30
ATOM     29  C   LIG    1       -1.612  -4.656  -1.119  0.00  0.00    +0.030 C 
ATOM     30  C   LIG    1       -1.495  -3.617  -2.214  0.00  0.00    +0.185 C 
ENDBRANCH  26  30
ENDBRANCH  24  26
ENDBRANCH   1  24
TORSDOF 6