REMARK  Name = BDB024742
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.794   1.190  -0.109  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        3.969   0.078  -0.353  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        4.563  -1.197  -0.826  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        5.386  -1.876   0.285  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        3.552  -2.234  -1.342  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        2.443  -1.561  -2.118  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        1.758  -0.610  -1.183  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.355  -0.467  -1.165  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1       -0.596  -1.123  -1.908  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -1.763  -0.652  -1.516  0.00  0.00    +0.113 A 
ATOM     11  N   LIG    1       -1.593   0.318  -0.552  0.00  0.00    -0.327 N 
ATOM     12  C   LIG    1       -0.242   0.445  -0.307  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        0.495   1.248   0.564  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        1.889   1.107   0.532  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        2.535   0.202  -0.324  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        4.426   2.308   0.235  0.00  0.00    -0.226 OA
ENDROOT
BRANCH   1  18
ATOM     17  C   LIG    1        6.995   2.024  -0.136  0.00  0.00    +0.282 C 
ATOM     18  O   LIG    1        6.115   0.918  -0.344  0.00  0.00    -0.453 OA
ENDBRANCH   1  18
BRANCH  11  19
ATOM     19  C   LIG    1       -2.625   1.063   0.145  0.00  0.00    +0.125 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.803   2.477  -0.401  0.00  0.00    +0.044 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.986   3.214   0.218  0.00  0.00    +0.167 C 
BRANCH  21  22
ATOM     22  S   LIG    1       -3.806   3.602   1.956  0.00  0.00    -0.034 S 
ATOM     23  O   LIG    1       -4.541   4.828   2.202  0.00  0.00    -0.175 OA
ATOM     24  O   LIG    1       -2.406   3.495   2.316  0.00  0.00    -0.175 OA
ATOM     25  C   LIG    1       -4.686   2.297   2.785  0.00  0.00    +0.194 C 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  11  19
BRANCH  10  26
ATOM     26  C   LIG    1       -3.067  -1.120  -2.077  0.00  0.00    +0.097 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -3.979  -1.903  -1.134  0.00  0.00    +0.151 C 
BRANCH  27  28
ATOM     28  N   LIG    1       -3.338  -2.543  -0.008  0.00  0.00    -0.271 N 
ATOM     29  N   LIG    1       -3.482  -2.007   1.224  0.00  0.00    -0.180 NA
ATOM     30  C   LIG    1       -2.770  -2.829   2.002  0.00  0.00    +0.134 A 
ATOM     31  C   LIG    1       -2.202  -3.895   1.281  0.00  0.00    +0.041 A 
ATOM     32  C   LIG    1       -2.599  -3.688  -0.019  0.00  0.00    +0.108 A 
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  10  26
TORSDOF 8