REMARK  Name = BDB024746
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.254  -0.436   1.644  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.464   0.385   0.822  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        5.022   1.713   0.485  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        6.199   1.594  -0.498  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        4.012   2.710  -0.106  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        2.660   2.560   0.558  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        2.194   1.155   0.307  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.859   0.859  -0.038  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1       -0.195   1.715  -0.213  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -1.233   0.972  -0.539  0.00  0.00    +0.113 A 
ATOM     11  N   LIG    1       -0.887  -0.367  -0.567  0.00  0.00    -0.324 N 
ATOM     12  C   LIG    1        0.461  -0.454  -0.256  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        1.359  -1.521  -0.154  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.681  -1.220   0.198  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        3.110   0.090   0.450  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        6.415  -0.172   1.952  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -1.729  -1.525  -0.876  0.00  0.00    +0.092 C 
ATOM     18  C   LIG    1       -2.928  -1.683   0.078  0.00  0.00    +0.048 C 
ATOM     19  C   LIG    1       -3.659  -3.003  -0.124  0.00  0.00    +0.168 C 
ATOM     20  S   LIG    1       -4.253  -3.181  -1.795  0.00  0.00    -0.031 S 
ATOM     21  O   LIG    1       -4.642  -4.563  -1.984  0.00  0.00    -0.174 OA
ATOM     22  O   LIG    1       -5.171  -2.096  -2.071  0.00  0.00    -0.174 OA
ATOM     23  C   LIG    1       -2.773  -2.899  -2.742  0.00  0.00    +0.168 C 
ATOM     24  C   LIG    1       -2.105  -1.583  -2.368  0.00  0.00    +0.048 C 
ENDBRANCH  11  17
BRANCH   1  26
ATOM     25  C   LIG    1        5.391  -2.330   3.029  0.00  0.00    +0.282 C 
ATOM     26  O   LIG    1        4.608  -1.530   2.143  0.00  0.00    -0.453 OA
ENDBRANCH   1  26
BRANCH  10  27
ATOM     27  C   LIG    1       -2.583   1.554  -0.802  0.00  0.00    +0.099 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -3.176   2.118   0.483  0.00  0.00    +0.174 C 
BRANCH  28  29
ATOM     29  N   LIG    1       -4.606   2.310   0.350  0.00  0.00    -0.183 N 
ATOM     30  N   LIG    1       -5.117   3.405  -0.246  0.00  0.00    -0.161 NA
ATOM     31  C   LIG    1       -6.424   3.125  -0.234  0.00  0.00    +0.156 A 
ATOM     32  C   LIG    1       -6.637   1.870   0.351  0.00  0.00    +0.156 A 
ATOM     33  N   LIG    1       -5.468   1.340   0.723  0.00  0.00    -0.161 NA
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  10  27
TORSDOF 5