REMARK  Name = BDB024740
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.512   0.757   1.167  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.433  -0.139   1.143  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        4.715  -1.491   1.647  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        4.353  -1.619   3.131  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        4.058  -2.549   0.767  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        2.557  -2.355   0.720  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        2.174  -0.917   0.501  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.853  -0.608   0.100  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1       -0.185  -1.465  -0.160  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -1.218  -0.719  -0.495  0.00  0.00    +0.113 A 
ATOM     11  N   LIG    1       -0.876   0.621  -0.469  0.00  0.00    -0.323 N 
ATOM     12  C   LIG    1        0.447   0.707  -0.067  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        1.306   1.776   0.184  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.613   1.468   0.590  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        3.082   0.151   0.728  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        6.556   0.539   1.778  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -1.719   1.788  -0.741  0.00  0.00    +0.110 C 
ATOM     18  C   LIG    1       -2.580   2.129   0.471  0.00  0.00    +0.191 C 
ATOM     19  S   LIG    1       -3.757   3.420   0.120  0.00  0.00    -0.029 S 
ATOM     20  O   LIG    1       -3.616   4.437   1.142  0.00  0.00    -0.174 OA
ATOM     21  O   LIG    1       -5.037   2.792  -0.139  0.00  0.00    -0.174 OA
ATOM     22  C   LIG    1       -3.181   4.116  -1.412  0.00  0.00    +0.166 C 
ATOM     23  C   LIG    1       -3.056   3.070  -2.510  0.00  0.00    +0.025 C 
ATOM     24  C   LIG    1       -2.527   1.706  -2.045  0.00  0.00    +0.028 C 
ENDBRANCH  11  17
BRANCH   1  26
ATOM     25  C   LIG    1        6.477   2.737   0.354  0.00  0.00    +0.282 C 
ATOM     26  O   LIG    1        5.349   1.862   0.386  0.00  0.00    -0.453 OA
ENDBRANCH   1  26
BRANCH  10  27
ATOM     27  C   LIG    1       -2.562  -1.268  -0.854  0.00  0.00    +0.097 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -2.673  -2.758  -0.538  0.00  0.00    +0.151 C 
BRANCH  28  29
ATOM     29  N   LIG    1       -4.019  -3.254  -0.761  0.00  0.00    -0.271 N 
ATOM     30  N   LIG    1       -4.568  -3.178  -1.989  0.00  0.00    -0.180 NA
ATOM     31  C   LIG    1       -5.783  -3.707  -1.825  0.00  0.00    +0.134 A 
ATOM     32  C   LIG    1       -6.016  -4.111  -0.498  0.00  0.00    +0.041 A 
ATOM     33  C   LIG    1       -4.854  -3.804   0.169  0.00  0.00    +0.108 A 
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  10  27
TORSDOF 5