REMARK  Name = BDB033555
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.725  -0.719   1.650  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        0.631  -0.891   1.274  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        1.269   0.209   1.814  0.00  0.00    +0.173 A 
ATOM      4  C   LIG    1        2.636   0.455   1.715  0.00  0.00    +0.055 A 
ATOM      5  C   LIG    1        3.406  -0.501   1.026  0.00  0.00    -0.019 A 
ATOM      6  C   LIG    1        2.784  -1.621   0.445  0.00  0.00    +0.052 A 
ATOM      7  O   LIG    1        0.353   0.997   2.436  0.00  0.00    -0.353 OA
ATOM      8  C   LIG    1        1.395  -1.810   0.536  0.00  0.00    +0.141 A 
ATOM      9  N   LIG    1       -0.901   0.421   2.323  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1       -1.738  -1.616   1.340  0.00  0.00    -0.196 N 
ATOM     11  H   LIG    1       -1.524  -2.434   0.775  0.00  0.00    +0.175 HD
BRANCH  10  12
ATOM     12  S   LIG    1       -3.364  -1.210   1.319  0.00  0.00    +0.081 S 
ATOM     13  O   LIG    1       -4.035  -2.305   0.644  0.00  0.00    -0.150 OA
ATOM     14  O   LIG    1       -3.734  -0.847   2.670  0.00  0.00    -0.150 OA
BRANCH  12  16
ATOM     15  C   LIG    1       -2.821   0.109  -1.027  0.00  0.00    +0.150 A 
ATOM     16  C   LIG    1       -3.444   0.184   0.229  0.00  0.00    +0.191 A 
ATOM     17  C   LIG    1       -4.115   1.356   0.588  0.00  0.00    +0.150 A 
ATOM     18  C   LIG    1       -4.142   2.446  -0.291  0.00  0.00    +0.048 A 
ATOM     19  C   LIG    1       -3.477   2.383  -1.515  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1       -2.813   1.216  -1.883  0.00  0.00    +0.048 A 
BRANCH  15  22
ATOM     21  C   LIG    1       -2.924  -1.720  -2.424  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1       -2.159  -1.026  -1.430  0.00  0.00    -0.493 OA
ENDBRANCH  15  22
BRANCH  17  23
ATOM     23  O   LIG    1       -4.858   1.439   1.732  0.00  0.00    -0.493 OA
ATOM     24  C   LIG    1       -4.239   2.293   2.696  0.00  0.00    +0.277 C 
ENDBRANCH  17  23
ENDBRANCH  12  16
ENDBRANCH  10  12
ENDBRANCH   1  10
BRANCH   5  25
ATOM     25  C   LIG    1        4.898  -0.298   0.884  0.00  0.00    +0.178 C 
BRANCH  25  26
ATOM     26  N   LIG    1        5.206   0.568  -0.246  0.00  0.00    -0.267 N 
ATOM     27  N   LIG    1        5.284   1.904  -0.072  0.00  0.00    -0.179 NA
ATOM     28  C   LIG    1        5.590   2.363  -1.288  0.00  0.00    +0.134 A 
ATOM     29  C   LIG    1        5.716   1.331  -2.235  0.00  0.00    +0.041 A 
ATOM     30  C   LIG    1        5.465   0.177  -1.530  0.00  0.00    +0.108 A 
ENDBRANCH  25  26
ENDBRANCH   5  25
BRANCH   8  31
ATOM     31  O   LIG    1        0.792  -2.894  -0.052  0.00  0.00    -0.433 OA
BRANCH  31  32
ATOM     32  C   LIG    1        0.824  -2.773  -1.473  0.00  0.00    +0.541 C 
ATOM     33  F   LIG    1        2.024  -3.219  -1.920  0.00  0.00    -0.166 F 
ATOM     34  F   LIG    1       -0.115  -3.619  -1.965  0.00  0.00    -0.166 F 
ENDBRANCH  31  32
ENDBRANCH   8  31
TORSDOF 9