REMARK  Name = BDB037277
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.156  -1.648   0.049  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        0.973  -0.797  -0.056  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        1.280  -0.493   1.252  0.00  0.00    +0.173 A 
ATOM      4  C   LIG    1        2.330   0.330   1.641  0.00  0.00    +0.055 A 
ATOM      5  C   LIG    1        3.134   0.875   0.617  0.00  0.00    -0.016 A 
ATOM      6  C   LIG    1        2.857   0.577  -0.746  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1        3.705   1.159  -1.855  0.00  0.00    +0.042 C 
ATOM      8  C   LIG    1        3.433   0.489  -3.193  0.00  0.00    +0.046 C 
ATOM      9  C   LIG    1        1.938   0.332  -3.365  0.00  0.00    +0.229 C 
ATOM     10  O   LIG    1        1.400  -0.547  -2.377  0.00  0.00    -0.491 OA
ATOM     11  O   LIG    1        0.397  -1.112   2.079  0.00  0.00    -0.353 OA
ATOM     12  C   LIG    1        1.751  -0.242  -1.086  0.00  0.00    +0.138 A 
ATOM     13  N   LIG    1       -0.510  -1.837   1.324  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  14
ATOM     14  N   LIG    1       -0.806  -2.202  -1.046  0.00  0.00    -0.196 N 
ATOM     15  H   LIG    1       -0.518  -1.885  -1.970  0.00  0.00    +0.175 HD
BRANCH  14  16
ATOM     16  S   LIG    1       -2.353  -2.819  -0.997  0.00  0.00    +0.077 S 
ATOM     17  O   LIG    1       -2.382  -3.948  -0.089  0.00  0.00    -0.150 OA
ATOM     18  O   LIG    1       -2.782  -2.988  -2.372  0.00  0.00    -0.150 OA
BRANCH  16  20
ATOM     19  C   LIG    1       -3.391  -0.260  -0.953  0.00  0.00    +0.147 A 
ATOM     20  C   LIG    1       -3.324  -1.506  -0.304  0.00  0.00    +0.150 A 
ATOM     21  C   LIG    1       -4.036  -1.741   0.880  0.00  0.00    +0.036 A 
ATOM     22  C   LIG    1       -4.784  -0.702   1.407  0.00  0.00    -0.042 A 
ATOM     23  C   LIG    1       -5.642  -0.715   2.634  0.00  0.00    +0.036 C 
ATOM     24  C   LIG    1       -5.816   0.789   2.890  0.00  0.00    +0.009 C 
ATOM     25  C   LIG    1       -5.732   1.482   1.522  0.00  0.00    +0.036 C 
ATOM     26  C   LIG    1       -4.837   0.545   0.774  0.00  0.00    -0.041 A 
ATOM     27  C   LIG    1       -4.146   0.782  -0.403  0.00  0.00    +0.051 A 
BRANCH  19  29
ATOM     28  C   LIG    1       -3.500   0.154  -3.223  0.00  0.00    +0.277 C 
ATOM     29  O   LIG    1       -2.652  -0.030  -2.086  0.00  0.00    -0.493 OA
ENDBRANCH  19  29
ENDBRANCH  16  20
ENDBRANCH  14  16
ENDBRANCH   1  14
BRANCH   5  30
ATOM     30  C   LIG    1        4.286   1.773   1.034  0.00  0.00    +0.179 C 
BRANCH  30  31
ATOM     31  N   LIG    1        5.567   1.076   1.055  0.00  0.00    -0.267 N 
ATOM     32  N   LIG    1        6.598   1.552   0.324  0.00  0.00    -0.179 NA
ATOM     33  C   LIG    1        7.601   0.717   0.609  0.00  0.00    +0.134 A 
ATOM     34  C   LIG    1        7.229  -0.273   1.535  0.00  0.00    +0.041 A 
ATOM     35  C   LIG    1        5.910  -0.006   1.819  0.00  0.00    +0.108 A 
ENDBRANCH  30  31
ENDBRANCH   5  30
TORSDOF 6