REMARK  Name = BDB011469
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.177  -0.993   0.225  0.00  0.00    +0.181 C 
ATOM      2  C   LIG    1       -0.799  -0.350  -0.028  0.00  0.00    +0.242 C 
ATOM      3  O   LIG    1       -0.626   0.857   0.155  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1        0.213  -1.179  -0.529  0.00  0.00    -0.268 N 
ATOM      5  C   LIG    1        0.085  -2.598  -0.690  0.00  0.00    +0.061 A 
ATOM      6  C   LIG    1       -0.519  -3.443   0.257  0.00  0.00    +0.110 A 
ATOM      7  C   LIG    1       -0.661  -4.821   0.018  0.00  0.00    +0.029 A 
ATOM      8  C   LIG    1       -0.205  -5.377  -1.173  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1        0.402  -4.563  -2.119  0.00  0.00    +0.002 A 
ATOM     10  S   LIG    1       -0.978  -2.841   1.860  0.00  0.00    +0.001 S 
ATOM     11  O   LIG    1       -1.605  -3.943   2.569  0.00  0.00    -0.169 OA
ATOM     12  O   LIG    1        0.202  -2.207   2.412  0.00  0.00    -0.169 OA
ATOM     13  C   LIG    1        0.548  -3.192  -1.879  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1       -2.230  -1.622   1.600  0.00  0.00    +0.203 C 
ENDROOT
BRANCH   1  16
ATOM     15  C   LIG    1       -3.739   0.907   0.820  0.00  0.00    +0.230 C 
ATOM     16  N   LIG    1       -3.257  -0.038  -0.064  0.00  0.00    -0.301 N 
ATOM     17  H   LIG    1       -3.337   0.294  -1.026  0.00  0.00    +0.150 HD
ATOM     18  O   LIG    1       -3.521   0.903   2.026  0.00  0.00    -0.274 OA
BRANCH  15  19
ATOM     19  C   LIG    1       -4.689   1.927   0.154  0.00  0.00    +0.137 C 
ATOM     20  C   LIG    1       -6.099   1.341   0.145  0.00  0.00    +0.034 C 
BRANCH  19  22
ATOM     21  C   LIG    1       -3.127   3.116  -1.278  0.00  0.00    +0.101 C 
ATOM     22  N   LIG    1       -4.266   2.195  -1.250  0.00  0.00    -0.309 NA
ATOM     23  H   LIG    1       -5.042   2.651  -1.734  0.00  0.00    +0.122 HD
ENDBRANCH  19  22
ENDBRANCH  15  19
ENDBRANCH   1  16
BRANCH   4  24
ATOM     24  C   LIG    1        1.495  -0.542  -0.892  0.00  0.00    +0.114 C 
BRANCH  24  25
ATOM     25  C   LIG    1        2.569  -0.691   0.191  0.00  0.00    +0.020 C 
BRANCH  25  26
ATOM     26  C   LIG    1        2.409   0.234   1.406  0.00  0.00    +0.006 C 
BRANCH  26  27
ATOM     27  C   LIG    1        2.537   1.735   1.115  0.00  0.00    +0.035 C 
BRANCH  27  28
ATOM     28  C   LIG    1        3.858   2.138   0.507  0.00  0.00    -0.047 A 
ATOM     29  C   LIG    1        5.049   2.013   1.236  0.00  0.00    +0.003 A 
ATOM     30  C   LIG    1        6.269   2.382   0.668  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        6.312   2.883  -0.631  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        5.134   3.018  -1.363  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        3.913   2.649  -0.797  0.00  0.00    +0.003 A 
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   4  24
TORSDOF 8