REMARK  Name = BDB033812
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.215   0.773   2.534  0.00  0.00    +0.032 A 
ATOM      2  C   LIG    1       -1.608   0.384   1.272  0.00  0.00    +0.223 A 
ATOM      3  N   LIG    1       -0.758   0.003   0.303  0.00  0.00    -0.179 NA
ATOM      4  C   LIG    1        0.549  -0.007   0.598  0.00  0.00    +0.223 A 
ATOM      5  N   LIG    1        1.030   0.348   1.796  0.00  0.00    -0.222 NA
ATOM      6  C   LIG    1        0.144   0.725   2.736  0.00  0.00    +0.123 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -2.776  -0.009   4.330  0.00  0.00    +0.009 C 
ATOM      8  C   LIG    1       -2.163   1.187   3.616  0.00  0.00    +0.038 C 
ENDBRANCH   1   8
BRANCH   4   9
ATOM      9  N   LIG    1        1.379  -0.409  -0.445  0.00  0.00    -0.284 N 
ATOM     10  H   LIG    1        0.807  -0.641  -1.244  0.00  0.00    +0.155 HD
BRANCH   9  11
ATOM     11  C   LIG    1        2.756  -0.619  -0.569  0.00  0.00    +0.034 A 
ATOM     12  C   LIG    1        3.264  -1.000  -1.824  0.00  0.00    +0.025 A 
ATOM     13  C   LIG    1        4.631  -1.209  -2.027  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        5.516  -1.022  -0.966  0.00  0.00    +0.105 A 
ATOM     15  C   LIG    1        5.040  -0.657   0.292  0.00  0.00    +0.030 A 
ATOM     16  C   LIG    1        3.669  -0.450   0.480  0.00  0.00    +0.025 A 
BRANCH  14  17
ATOM     17  S   LIG    1        7.253  -1.295  -1.217  0.00  0.00    +0.058 S 
ATOM     18  O   LIG    1        7.886  -1.416   0.077  0.00  0.00    -0.153 OA
ATOM     19  O   LIG    1        7.399  -2.308  -2.238  0.00  0.00    -0.153 OA
BRANCH  17  20
ATOM     20  N   LIG    1        7.748   0.148  -1.908  0.00  0.00    -0.193 NA
ATOM     21  H   LIG    1        7.762   0.151  -2.926  0.00  0.00    +0.148 HD
ATOM     22  C   LIG    1        7.587   1.400  -1.188  0.00  0.00    +0.127 C 
ENDBRANCH  17  20
ENDBRANCH  14  17
ENDBRANCH   9  11
ENDBRANCH   4   9
BRANCH   2  23
ATOM     23  O   LIG    1       -2.962   0.406   1.004  0.00  0.00    -0.468 OA
BRANCH  23  24
ATOM     24  C   LIG    1       -3.350  -0.075  -0.294  0.00  0.00    +0.232 C 
ATOM     25  C   LIG    1       -4.828  -0.544  -0.213  0.00  0.00    +0.104 C 
ATOM     26  C   LIG    1       -5.753   0.479   0.465  0.00  0.00    +0.045 C 
ATOM     27  C   LIG    1       -5.329  -0.902  -1.617  0.00  0.00    +0.066 C 
ATOM     28  C   LIG    1       -5.074   0.224  -2.608  0.00  0.00    +0.163 C 
ATOM     29  O   LIG    1       -3.691   0.572  -2.635  0.00  0.00    -0.376 OA
ATOM     30  C   LIG    1       -3.209   1.015  -1.365  0.00  0.00    +0.207 C 
BRANCH  25  31
ATOM     31  O   LIG    1       -4.902  -1.738   0.587  0.00  0.00    -0.385 OA
ATOM     32  H   LIG    1       -4.418  -1.556   1.414  0.00  0.00    +0.210 HD
ENDBRANCH  25  31
ENDBRANCH  23  24
ENDBRANCH   2  23
TORSDOF 8