REMARK  Name = BDB024736
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.259   1.464   0.843  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.472   0.342   0.549  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        5.172  -0.951   0.566  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        5.044  -1.637   1.930  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        4.725  -1.827  -0.600  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        3.235  -2.085  -0.541  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        2.449  -0.834  -0.254  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        1.054  -0.827  -0.495  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1        0.277  -1.834  -1.008  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -0.950  -1.364  -1.056  0.00  0.00    +0.113 A 
ATOM     11  N   LIG    1       -1.005  -0.070  -0.560  0.00  0.00    -0.324 N 
ATOM     12  C   LIG    1        0.280   0.288  -0.197  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        0.846   1.430   0.364  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.228   1.419   0.607  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        3.053   0.329   0.290  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        6.390   1.389   1.320  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -2.221   0.735  -0.412  0.00  0.00    +0.092 C 
ATOM     18  C   LIG    1       -2.658   0.900   1.060  0.00  0.00    +0.048 C 
ATOM     19  C   LIG    1       -2.650   2.330   1.573  0.00  0.00    +0.168 C 
ATOM     20  S   LIG    1       -3.683   3.412   0.601  0.00  0.00    -0.031 S 
ATOM     21  O   LIG    1       -5.060   3.186   0.990  0.00  0.00    -0.174 OA
ATOM     22  O   LIG    1       -3.093   4.735   0.666  0.00  0.00    -0.174 OA
ATOM     23  C   LIG    1       -3.483   2.812  -1.069  0.00  0.00    +0.168 C 
ATOM     24  C   LIG    1       -2.187   2.035  -1.234  0.00  0.00    +0.048 C 
ENDBRANCH  11  17
BRANCH   1  26
ATOM     25  C   LIG    1        5.538   3.793   0.716  0.00  0.00    +0.282 C 
ATOM     26  O   LIG    1        4.707   2.656   0.480  0.00  0.00    -0.453 OA
ENDBRANCH   1  26
BRANCH  10  27
ATOM     27  C   LIG    1       -2.120  -2.149  -1.554  0.00  0.00    +0.097 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -2.860  -2.820  -0.401  0.00  0.00    +0.151 C 
BRANCH  28  29
ATOM     29  N   LIG    1       -4.294  -2.821  -0.620  0.00  0.00    -0.271 N 
ATOM     30  N   LIG    1       -4.983  -1.670  -0.475  0.00  0.00    -0.180 NA
ATOM     31  C   LIG    1       -6.245  -2.027  -0.726  0.00  0.00    +0.134 A 
ATOM     32  C   LIG    1       -6.362  -3.394  -1.042  0.00  0.00    +0.041 A 
ATOM     33  C   LIG    1       -5.078  -3.881  -0.966  0.00  0.00    +0.108 A 
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  10  27
TORSDOF 5