REMARK  Name = BDB024744
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.793  -0.001  -0.738  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.696  -0.575  -0.071  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        4.978  -1.780   0.740  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        5.773  -1.431   2.009  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        3.735  -2.578   1.168  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        2.708  -2.602   0.058  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        2.323  -1.179  -0.225  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.987  -0.800  -0.467  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1       -0.144  -1.576  -0.493  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -1.145  -0.769  -0.783  0.00  0.00    +0.113 A 
ATOM     11  N   LIG    1       -0.697   0.532  -0.881  0.00  0.00    -0.326 N 
ATOM     12  C   LIG    1        0.673   0.528  -0.721  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        1.641   1.533  -0.757  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.969   1.144  -0.531  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        3.330  -0.190  -0.286  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        6.958  -0.344  -0.548  0.00  0.00    -0.226 OA
ENDROOT
BRANCH   1  18
ATOM     17  C   LIG    1        6.570   1.474  -2.395  0.00  0.00    +0.282 C 
ATOM     18  O   LIG    1        5.461   0.930  -1.679  0.00  0.00    -0.453 OA
ENDBRANCH   1  18
BRANCH  11  19
ATOM     19  C   LIG    1       -1.502   1.725  -1.071  0.00  0.00    +0.146 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -1.673   2.489   0.230  0.00  0.00    +0.187 C 
BRANCH  20  21
ATOM     21  S   LIG    1       -2.908   3.746   0.030  0.00  0.00    -0.032 S 
ATOM     22  O   LIG    1       -4.182   3.074  -0.141  0.00  0.00    -0.175 OA
ATOM     23  O   LIG    1       -2.421   4.687  -0.957  0.00  0.00    -0.175 OA
ATOM     24  C   LIG    1       -2.922   4.559   1.610  0.00  0.00    +0.194 C 
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  11  19
BRANCH  10  25
ATOM     25  C   LIG    1       -2.558  -1.218  -0.989  0.00  0.00    +0.096 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -3.375  -1.140   0.301  0.00  0.00    +0.132 C 
BRANCH  26  27
ATOM     27  N   LIG    1       -4.792  -1.422   0.070  0.00  0.00    -0.315 N 
ATOM     28  C   LIG    1       -5.217  -2.752   0.079  0.00  0.00    +0.251 A 
ATOM     29  O   LIG    1       -4.489  -3.718   0.292  0.00  0.00    -0.268 OA
ATOM     30  C   LIG    1       -6.662  -2.977  -0.195  0.00  0.00    +0.070 A 
ATOM     31  C   LIG    1       -7.470  -1.941  -0.454  0.00  0.00    +0.007 A 
ATOM     32  C   LIG    1       -6.952  -0.598  -0.470  0.00  0.00    +0.018 A 
ATOM     33  C   LIG    1       -5.657  -0.377  -0.215  0.00  0.00    +0.089 A 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  10  25
TORSDOF 7