REMARK  Name = BDB000833
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.021   0.607  -1.116  0.00  0.00    -0.015 A 
ATOM      2  C   LIG    1        0.535  -0.251  -2.076  0.00  0.00    +0.117 A 
ATOM      3  N   LIG    1        1.835  -0.626  -2.148  0.00  0.00    -0.240 NA
ATOM      4  C   LIG    1        2.696  -0.137  -1.227  0.00  0.00    +0.124 A 
ATOM      5  C   LIG    1        2.264   0.732  -0.232  0.00  0.00    +0.044 A 
ATOM      6  C   LIG    1        0.921   1.107  -0.178  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1        4.003  -0.580  -1.381  0.00  0.00    -0.279 N 
ATOM      8  H   LIG    1        4.055  -1.203  -2.176  0.00  0.00    +0.155 HD
BRANCH   7   9
ATOM      9  C   LIG    1        5.112  -0.310  -0.669  0.00  0.00    +0.165 A 
ATOM     10  S   LIG    1        6.603  -1.053  -1.148  0.00  0.00    -0.042 S 
ATOM     11  C   LIG    1        7.415  -0.270   0.134  0.00  0.00    +0.110 A 
ATOM     12  C   LIG    1        6.523   0.499   0.843  0.00  0.00    +0.139 A 
ATOM     13  N   LIG    1        5.220   0.473   0.383  0.00  0.00    -0.232 NA
BRANCH  11  14
ATOM     14  C   LIG    1        8.802  -0.402   0.414  0.00  0.00    +0.108 C 
ATOM     15  N   LIG    1        9.933  -0.502   0.653  0.00  0.00    -0.190 NA
ENDBRANCH  11  14
ENDBRANCH   7   9
ENDBRANCH   4   7
BRANCH   1  16
ATOM     16  C   LIG    1       -1.435   0.996  -1.109  0.00  0.00    +0.121 C 
BRANCH  16  21
ATOM     17  C   LIG    1       -5.703  -0.811   1.731  0.00  0.00    +0.105 C 
ATOM     18  N   LIG    1       -4.654  -0.879   0.718  0.00  0.00    -0.303 NA
ATOM     19  C   LIG    1       -4.615   0.334  -0.121  0.00  0.00    +0.099 C 
ATOM     20  C   LIG    1       -3.463   1.309   0.210  0.00  0.00    +0.100 C 
ATOM     21  N   LIG    1       -2.112   0.710   0.166  0.00  0.00    -0.296 NA
ATOM     22  C   LIG    1       -2.167  -0.747   0.433  0.00  0.00    +0.100 C 
ATOM     23  C   LIG    1       -3.344  -1.145   1.348  0.00  0.00    +0.099 C 
ENDBRANCH  16  21
ENDBRANCH   1  16
TORSDOF 5