REMARK  Name = BDB033566
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.964  -1.214   0.959  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        0.419  -0.905   0.911  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        0.905  -1.722  -0.087  0.00  0.00    +0.173 A 
ATOM      4  C   LIG    1        2.236  -1.764  -0.484  0.00  0.00    +0.055 A 
ATOM      5  C   LIG    1        3.136  -0.897   0.176  0.00  0.00    -0.016 A 
ATOM      6  C   LIG    1        2.671  -0.025   1.196  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1        3.618   0.911   1.912  0.00  0.00    +0.042 C 
ATOM      8  C   LIG    1        2.881   1.955   2.737  0.00  0.00    +0.046 C 
ATOM      9  C   LIG    1        1.750   1.278   3.482  0.00  0.00    +0.229 C 
ATOM     10  O   LIG    1        0.786   0.755   2.568  0.00  0.00    -0.491 OA
ATOM     11  O   LIG    1       -0.112  -2.461  -0.601  0.00  0.00    -0.353 OA
ATOM     12  C   LIG    1        1.307  -0.047   1.583  0.00  0.00    +0.138 A 
ATOM     13  N   LIG    1       -1.290  -2.141   0.054  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  14
ATOM     14  N   LIG    1       -1.855  -0.609   1.834  0.00  0.00    -0.196 N 
ATOM     15  H   LIG    1       -1.527   0.200   2.357  0.00  0.00    +0.175 HD
BRANCH  14  16
ATOM     16  S   LIG    1       -3.518  -0.698   1.697  0.00  0.00    +0.081 S 
ATOM     17  O   LIG    1       -4.046   0.323   2.583  0.00  0.00    -0.150 OA
ATOM     18  O   LIG    1       -3.886  -2.086   1.890  0.00  0.00    -0.150 OA
BRANCH  16  20
ATOM     19  C   LIG    1       -3.293   1.026  -0.425  0.00  0.00    +0.150 A 
ATOM     20  C   LIG    1       -3.865  -0.166   0.044  0.00  0.00    +0.191 A 
ATOM     21  C   LIG    1       -4.705  -0.898  -0.800  0.00  0.00    +0.150 A 
ATOM     22  C   LIG    1       -4.950  -0.451  -2.105  0.00  0.00    +0.048 A 
ATOM     23  C   LIG    1       -4.337   0.706  -2.582  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1       -3.505   1.443  -1.744  0.00  0.00    +0.048 A 
BRANCH  19  26
ATOM     25  C   LIG    1       -3.103   3.002   0.753  0.00  0.00    +0.277 C 
ATOM     26  O   LIG    1       -2.469   1.777   0.374  0.00  0.00    -0.493 OA
ENDBRANCH  19  26
BRANCH  21  27
ATOM     27  O   LIG    1       -5.402  -1.989  -0.360  0.00  0.00    -0.493 OA
ATOM     28  C   LIG    1       -4.866  -3.198  -0.901  0.00  0.00    +0.277 C 
ENDBRANCH  21  27
ENDBRANCH  16  20
ENDBRANCH  14  16
ENDBRANCH   1  14
BRANCH   5  29
ATOM     29  C   LIG    1        4.591  -0.955  -0.257  0.00  0.00    +0.179 C 
BRANCH  29  30
ATOM     30  N   LIG    1        4.779  -0.405  -1.594  0.00  0.00    -0.267 N 
ATOM     31  N   LIG    1        4.933  -1.235  -2.648  0.00  0.00    -0.179 NA
ATOM     32  C   LIG    1        5.094  -0.406  -3.683  0.00  0.00    +0.134 A 
ATOM     33  C   LIG    1        5.058   0.946  -3.298  0.00  0.00    +0.041 A 
ATOM     34  C   LIG    1        4.861   0.916  -1.937  0.00  0.00    +0.108 A 
ENDBRANCH  29  30
ENDBRANCH   5  29
TORSDOF 7