REMARK  Name = BDB036576
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.480  -3.095   0.664  0.00  0.00    +0.188 A 
ATOM      2  C   LIG    1        0.450  -2.308   0.086  0.00  0.00    +0.068 A 
ATOM      3  C   LIG    1       -0.198  -1.772   1.183  0.00  0.00    +0.171 A 
ATOM      4  C   LIG    1       -1.279  -0.896   1.117  0.00  0.00    +0.076 A 
ATOM      5  C   LIG    1       -1.744  -0.550  -0.160  0.00  0.00    +0.078 A 
ATOM      6  C   LIG    1       -1.118  -1.102  -1.309  0.00  0.00    +0.142 A 
ATOM      7  O   LIG    1        0.377  -2.239   2.322  0.00  0.00    -0.353 OA
ATOM      8  C   LIG    1       -0.031  -1.986  -1.196  0.00  0.00    +0.062 A 
ATOM      9  N   LIG    1        1.415  -3.095   1.998  0.00  0.00    -0.061 NA
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1        2.476  -3.846   0.049  0.00  0.00    -0.196 N 
ATOM     11  H   LIG    1        3.016  -4.413   0.701  0.00  0.00    +0.175 HD
BRANCH  10  12
ATOM     12  S   LIG    1        3.469  -3.221  -1.151  0.00  0.00    +0.074 S 
ATOM     13  O   LIG    1        2.718  -3.144  -2.386  0.00  0.00    -0.150 OA
ATOM     14  O   LIG    1        4.709  -3.965  -1.080  0.00  0.00    -0.150 OA
BRANCH  12  18
ATOM     15  C   LIG    1        4.381   1.021   0.289  0.00  0.00    -0.048 A 
ATOM     16  C   LIG    1        3.583   0.819  -0.847  0.00  0.00    +0.005 A 
ATOM     17  C   LIG    1        3.307  -0.472  -1.298  0.00  0.00    +0.029 A 
ATOM     18  C   LIG    1        3.824  -1.568  -0.603  0.00  0.00    +0.109 A 
ATOM     19  C   LIG    1        4.642  -1.383   0.515  0.00  0.00    +0.029 A 
ATOM     20  C   LIG    1        4.915  -0.089   0.959  0.00  0.00    +0.005 A 
BRANCH  15  22
ATOM     21  C   LIG    1        5.945   2.975   0.114  0.00  0.00    +0.009 C 
ATOM     22  C   LIG    1        4.688   2.419   0.765  0.00  0.00    +0.032 C 
ENDBRANCH  15  22
ENDBRANCH  12  18
ENDBRANCH  10  12
ENDBRANCH   1  10
BRANCH   6  23
ATOM     23  O   LIG    1       -1.666  -0.699  -2.510  0.00  0.00    -0.493 OA
ATOM     24  C   LIG    1       -1.075  -1.215  -3.699  0.00  0.00    +0.277 C 
ENDBRANCH   6  23
BRANCH   5  25
ATOM     25  N   LIG    1       -2.833   0.339  -0.365  0.00  0.00    -0.295 N 
ATOM     26  H   LIG    1       -3.006   0.430  -1.363  0.00  0.00    +0.154 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -3.618   1.030   0.490  0.00  0.00    +0.145 A 
ATOM     28  N   LIG    1       -3.560   1.066   1.824  0.00  0.00    -0.158 NA
ATOM     29  N   LIG    1       -4.550   1.892   2.187  0.00  0.00    -0.280 N 
ATOM     30  H   LIG    1       -4.690   2.064   3.177  0.00  0.00    +0.189 HD
ATOM     31  C   LIG    1       -5.256   2.402   1.134  0.00  0.00    +0.038 A 
ATOM     32  C   LIG    1       -4.668   1.857   0.014  0.00  0.00    +0.068 A 
BRANCH  31  33
ATOM     33  C   LIG    1       -6.396   3.338   1.306  0.00  0.00    +0.051 C 
ATOM     34  C   LIG    1       -7.712   2.595   1.478  0.00  0.00    +0.010 C 
ENDBRANCH  31  33
ENDBRANCH  25  27
ENDBRANCH   5  25
TORSDOF 8