REMARK  Name = BDB035976
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.045  -1.403  -2.338  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        0.871  -1.359  -1.191  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        2.125  -1.699  -1.673  0.00  0.00    +0.173 A 
ATOM      4  C   LIG    1        3.288  -1.763  -0.895  0.00  0.00    +0.055 A 
ATOM      5  C   LIG    1        3.180  -1.469   0.483  0.00  0.00    -0.016 A 
ATOM      6  C   LIG    1        1.925  -1.136   0.991  0.00  0.00    +0.003 A 
ATOM      7  C   LIG    1        1.507  -0.838   2.387  0.00  0.00    +0.080 C 
ATOM      8  C   LIG    1        0.119  -0.260   2.118  0.00  0.00    +0.234 C 
ATOM      9  O   LIG    1       -0.371  -0.811   0.878  0.00  0.00    -0.491 OA
ATOM     10  O   LIG    1        2.035  -1.973  -3.001  0.00  0.00    -0.353 OA
ATOM     11  C   LIG    1        0.790  -1.097   0.176  0.00  0.00    +0.138 A 
ATOM     12  N   LIG    1        0.720  -1.823  -3.414  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1       -1.319  -1.146  -2.465  0.00  0.00    -0.196 N 
ATOM     14  H   LIG    1       -1.641  -1.304  -3.420  0.00  0.00    +0.175 HD
BRANCH  13  15
ATOM     15  S   LIG    1       -1.968   0.322  -1.932  0.00  0.00    +0.077 S 
ATOM     16  O   LIG    1       -2.782   0.770  -3.045  0.00  0.00    -0.150 OA
ATOM     17  O   LIG    1       -0.918   1.152  -1.383  0.00  0.00    -0.150 OA
BRANCH  15  19
ATOM     18  C   LIG    1       -3.837   0.871  -0.013  0.00  0.00    +0.147 A 
ATOM     19  C   LIG    1       -3.092  -0.130  -0.639  0.00  0.00    +0.150 A 
ATOM     20  C   LIG    1       -3.268  -1.469  -0.266  0.00  0.00    +0.032 A 
ATOM     21  C   LIG    1       -4.171  -1.796   0.748  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -4.895  -0.792   1.391  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -4.724   0.541   1.016  0.00  0.00    +0.047 A 
BRANCH  18  24
ATOM     24  O   LIG    1       -3.658   2.186  -0.343  0.00  0.00    -0.490 OA
BRANCH  24  26
ATOM     25  C   LIG    1       -4.375   4.012  -1.701  0.00  0.00    +0.048 C 
ATOM     26  C   LIG    1       -4.793   2.710  -1.044  0.00  0.00    +0.226 C 
ENDBRANCH  24  26
ENDBRANCH  18  24
ENDBRANCH  15  19
ENDBRANCH  13  15
ENDBRANCH   1  13
BRANCH   5  27
ATOM     27  C   LIG    1        4.408  -1.536   1.359  0.00  0.00    +0.179 C 
BRANCH  27  28
ATOM     28  N   LIG    1        5.356  -0.477   1.038  0.00  0.00    -0.267 N 
ATOM     29  N   LIG    1        6.482  -0.765   0.353  0.00  0.00    -0.179 NA
ATOM     30  C   LIG    1        7.101   0.414   0.254  0.00  0.00    +0.134 A 
ATOM     31  C   LIG    1        6.387   1.449   0.884  0.00  0.00    +0.041 A 
ATOM     32  C   LIG    1        5.264   0.840   1.392  0.00  0.00    +0.108 A 
ENDBRANCH  27  28
ENDBRANCH   5  27
TORSDOF 7