REMARK  Name = BDB035973
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.333  -0.399  -1.327  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        1.408   0.049  -0.530  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        1.799  -1.070   0.182  0.00  0.00    +0.173 A 
ATOM      4  C   LIG    1        2.847  -1.092   1.111  0.00  0.00    +0.055 A 
ATOM      5  C   LIG    1        3.546   0.116   1.341  0.00  0.00    -0.016 A 
ATOM      6  C   LIG    1        3.167   1.252   0.621  0.00  0.00    +0.003 A 
ATOM      7  C   LIG    1        3.677   2.646   0.698  0.00  0.00    +0.080 C 
ATOM      8  C   LIG    1        3.040   3.221  -0.567  0.00  0.00    +0.234 C 
ATOM      9  O   LIG    1        1.862   2.446  -0.894  0.00  0.00    -0.491 OA
ATOM     10  O   LIG    1        1.000  -2.114  -0.164  0.00  0.00    -0.353 OA
ATOM     11  C   LIG    1        2.116   1.222  -0.295  0.00  0.00    +0.138 A 
ATOM     12  N   LIG    1        0.071  -1.691  -1.104  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1       -0.373   0.417  -2.196  0.00  0.00    -0.196 N 
ATOM     14  H   LIG    1       -0.128   1.401  -2.277  0.00  0.00    +0.175 HD
BRANCH  13  15
ATOM     15  S   LIG    1       -1.600  -0.099  -3.204  0.00  0.00    +0.077 S 
ATOM     16  O   LIG    1       -2.105   1.106  -3.835  0.00  0.00    -0.150 OA
ATOM     17  O   LIG    1       -1.079  -1.191  -3.997  0.00  0.00    -0.150 OA
BRANCH  15  19
ATOM     18  C   LIG    1       -3.551  -1.840  -2.283  0.00  0.00    +0.147 A 
ATOM     19  C   LIG    1       -2.864  -0.648  -2.086  0.00  0.00    +0.150 A 
ATOM     20  C   LIG    1       -3.153   0.159  -0.966  0.00  0.00    +0.036 A 
ATOM     21  C   LIG    1       -4.120  -0.219  -0.019  0.00  0.00    -0.040 A 
ATOM     22  C   LIG    1       -4.804  -1.427  -0.249  0.00  0.00    +0.008 A 
ATOM     23  C   LIG    1       -4.534  -2.219  -1.370  0.00  0.00    +0.048 A 
BRANCH  21  24
ATOM     24  C   LIG    1       -4.447   0.631   1.221  0.00  0.00    -0.013 C 
ATOM     25  C   LIG    1       -5.926   1.070   1.173  0.00  0.00    +0.015 C 
ATOM     26  C   LIG    1       -3.592   1.913   1.344  0.00  0.00    +0.015 C 
ATOM     27  C   LIG    1       -4.204  -0.200   2.500  0.00  0.00    +0.015 C 
ENDBRANCH  21  24
BRANCH  18  29
ATOM     28  C   LIG    1       -2.651  -3.795  -3.102  0.00  0.00    +0.277 C 
ATOM     29  O   LIG    1       -3.376  -2.601  -3.403  0.00  0.00    -0.493 OA
ENDBRANCH  18  29
ENDBRANCH  15  19
ENDBRANCH  13  15
ENDBRANCH   1  13
BRANCH   5  30
ATOM     30  C   LIG    1        4.678   0.149   2.339  0.00  0.00    +0.179 C 
BRANCH  30  31
ATOM     31  N   LIG    1        5.979   0.061   1.688  0.00  0.00    -0.267 N 
ATOM     32  N   LIG    1        6.781   1.146   1.632  0.00  0.00    -0.179 NA
ATOM     33  C   LIG    1        7.874   0.699   1.009  0.00  0.00    +0.134 A 
ATOM     34  C   LIG    1        7.785  -0.666   0.682  0.00  0.00    +0.041 A 
ATOM     35  C   LIG    1        6.551  -1.056   1.144  0.00  0.00    +0.108 A 
ENDBRANCH  30  31
ENDBRANCH   5  30
TORSDOF 7