REMARK  Name = BDB059203
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.396   2.696   0.076  0.00  0.00    +0.191 A 
ATOM      2  N   LIG    1       -1.731   1.401   0.054  0.00  0.00    -0.220 NA
ATOM      3  C   LIG    1       -1.046   0.582  -0.779  0.00  0.00    +0.094 A 
ATOM      4  C   LIG    1       -0.010   1.040  -1.576  0.00  0.00    +0.110 A 
ATOM      5  C   LIG    1        0.270   2.393  -1.469  0.00  0.00    +0.126 A 
ATOM      6  N   LIG    1       -0.426   3.232  -0.668  0.00  0.00    -0.214 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.503  -0.819  -0.728  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1       -1.527  -1.508   0.501  0.00  0.00    +0.059 A 
ATOM      9  C   LIG    1       -1.965  -2.835   0.586  0.00  0.00    +0.166 A 
ATOM     10  C   LIG    1       -2.398  -3.485  -0.581  0.00  0.00    +0.204 A 
ATOM     11  C   LIG    1       -2.354  -2.828  -1.816  0.00  0.00    +0.166 A 
ATOM     12  C   LIG    1       -1.943  -1.494  -1.877  0.00  0.00    +0.059 A 
BRANCH   9  13
ATOM     13  O   LIG    1       -2.019  -3.569   1.743  0.00  0.00    -0.491 OA
ATOM     14  C   LIG    1       -1.582  -2.942   2.941  0.00  0.00    +0.277 C 
ENDBRANCH   9  13
BRANCH  10  15
ATOM     15  O   LIG    1       -2.841  -4.784  -0.504  0.00  0.00    -0.488 OA
ATOM     16  C   LIG    1       -4.244  -4.798  -0.236  0.00  0.00    +0.277 C 
ENDBRANCH  10  15
BRANCH  11  17
ATOM     17  O   LIG    1       -2.753  -3.372  -3.009  0.00  0.00    -0.491 OA
ATOM     18  C   LIG    1       -2.147  -4.635  -3.285  0.00  0.00    +0.277 C 
ENDBRANCH  11  17
ENDBRANCH   3   7
BRANCH   4  19
ATOM     19  C   LIG    1        0.740   0.172  -2.425  0.00  0.00    +0.104 C 
ATOM     20  N   LIG    1        1.335  -0.531  -3.132  0.00  0.00    -0.191 NA
ENDBRANCH   4  19
BRANCH   1  21
ATOM     21  S   LIG    1       -2.330   3.737   1.160  0.00  0.00    -0.073 S 
BRANCH  21  22
ATOM     22  C   LIG    1       -1.176   5.131   1.310  0.00  0.00    +0.165 C 
BRANCH  22  24
ATOM     23  C   LIG    1       -2.064   6.935   3.069  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1       -1.667   6.122   2.279  0.00  0.00    -0.094 C 
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH   1  21
BRANCH   5  25
ATOM     25  S   LIG    1        1.574   3.195  -2.394  0.00  0.00    -0.042 S 
BRANCH  25  26
ATOM     26  C   LIG    1        2.925   2.753  -1.364  0.00  0.00    +0.142 A 
ATOM     27  S   LIG    1        4.471   3.461  -1.560  0.00  0.00    -0.061 S 
ATOM     28  C   LIG    1        5.074   2.496  -0.268  0.00  0.00    +0.040 A 
ATOM     29  C   LIG    1        4.040   1.695   0.219  0.00  0.00    +0.079 A 
ATOM     30  C   LIG    1        4.309   0.814   1.286  0.00  0.00    +0.029 A 
ATOM     31  C   LIG    1        5.595   0.760   1.835  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1        6.610   1.568   1.333  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1        6.369   2.449   0.274  0.00  0.00    +0.017 A 
ATOM     34  N   LIG    1        2.818   1.852  -0.414  0.00  0.00    -0.232 NA
ENDBRANCH  25  26
ENDBRANCH   5  25
TORSDOF 10