REMARK  Name = BDB036233
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.500   0.195   0.382  0.00  0.00    +0.043 A 
ATOM      2  C   LIG    1        0.918  -1.094   0.247  0.00  0.00    +0.150 A 
ATOM      3  N   LIG    1       -0.456  -1.143   0.127  0.00  0.00    -0.271 N 
ATOM      4  C   LIG    1       -0.800  -2.469  -0.016  0.00  0.00    +0.121 A 
ATOM      5  CA  LIG    1        0.387  -3.168   0.047  0.00  0.00    +0.085 A 
ATOM      6  C   LIG    1       -1.271   0.010   0.149  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -0.715   1.186   0.267  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        1.447  -2.301   0.213  0.00  0.00    -0.230 NA
ATOM      9  C   LIG    1        0.657   1.248   0.380  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        2.881  -0.018   3.021  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1        3.609   0.372   1.762  0.00  0.00    -0.041 A 
ATOM     12  C   LIG    1        2.948   0.452   0.517  0.00  0.00    -0.010 A 
ATOM     13  C   LIG    1        3.676   0.785  -0.639  0.00  0.00    +0.011 A 
ATOM     14  C   LIG    1        5.044   1.045  -0.571  0.00  0.00    +0.027 A 
ATOM     15  C   LIG    1        5.689   0.982   0.663  0.00  0.00    +0.088 A 
ATOM     16  C   LIG    1        4.989   0.633   1.822  0.00  0.00    +0.031 A 
BRANCH  15  17
ATOM     17  S   LIG    1        7.434   1.308   0.759  0.00  0.00    -0.006 S 
ATOM     18  O   LIG    1        7.998   1.071  -0.556  0.00  0.00    -0.170 OA
ATOM     19  O   LIG    1        7.949   0.619   1.927  0.00  0.00    -0.170 OA
ATOM     20  C   LIG    1        7.500   3.052   1.077  0.00  0.00    +0.200 C 
ENDBRANCH  15  17
ENDBRANCH   1  12
BRANCH   6  21
ATOM     21  N   LIG    1       -2.637  -0.145   0.039  0.00  0.00    -0.310 N 
ATOM     22  H   LIG    1       -3.018  -1.045   0.308  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -3.539   0.958   0.321  0.00  0.00    +0.143 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.924   0.596  -0.131  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1       -5.278   0.548  -1.476  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -4.453   0.771  -2.688  0.00  0.00    +0.080 C 
ATOM     27  C   LIG    1       -5.565   0.843  -3.734  0.00  0.00    +0.234 C 
ATOM     28  O   LIG    1       -6.737   0.163  -3.227  0.00  0.00    -0.491 OA
ATOM     29  C   LIG    1       -6.558   0.178  -1.868  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1       -7.537  -0.165  -0.958  0.00  0.00    +0.049 A 
ATOM     31  C   LIG    1       -7.208  -0.119   0.397  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1       -5.918   0.256   0.796  0.00  0.00    +0.129 A 
ATOM     33  F   LIG    1       -5.633   0.268   2.107  0.00  0.00    -0.205 F 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   6  21
BRANCH   5  34
ATOM     34  C   LIG    1        0.635  -4.635  -0.044  0.00  0.00    +0.212 C 
BRANCH  34  35
ATOM     35  O   LIG    1        1.903  -4.984   0.508  0.00  0.00    -0.389 OA
ATOM     36  H   LIG    1        2.409  -4.146   0.513  0.00  0.00    +0.210 HD
ENDBRANCH  34  35
ENDBRANCH   5  34
TORSDOF 7