REMARK  Name = BDB024718
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.379   0.309  -1.518  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.499  -0.104  -0.501  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        4.994  -0.971   0.598  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        5.946  -0.201   1.532  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        3.899  -1.593   1.479  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        2.714  -2.015   0.642  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        2.181  -0.785  -0.032  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.796  -0.550  -0.159  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1       -0.258  -1.308   0.288  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -1.353  -0.678  -0.088  0.00  0.00    +0.111 A 
ATOM     11  N   LIG    1       -1.036   0.494  -0.740  0.00  0.00    -0.327 N 
ATOM     12  C   LIG    1        0.337   0.582  -0.818  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        1.202   1.520  -1.382  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.577   1.274  -1.258  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        3.084   0.142  -0.602  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        5.089   0.988  -2.498  0.00  0.00    -0.226 OA
ENDROOT
BRANCH   1  18
ATOM     17  C   LIG    1        7.575   0.194  -2.358  0.00  0.00    +0.282 C 
ATOM     18  O   LIG    1        6.646  -0.171  -1.336  0.00  0.00    -0.453 OA
ENDBRANCH   1  18
BRANCH  11  19
ATOM     19  C   LIG    1       -1.961   1.482  -1.265  0.00  0.00    +0.125 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.034   2.754  -0.418  0.00  0.00    +0.044 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.615   2.512   0.971  0.00  0.00    +0.167 C 
BRANCH  21  22
ATOM     22  S   LIG    1       -2.683   3.997   1.962  0.00  0.00    -0.034 S 
ATOM     23  O   LIG    1       -3.378   3.662   3.190  0.00  0.00    -0.175 OA
ATOM     24  O   LIG    1       -3.152   5.082   1.122  0.00  0.00    -0.175 OA
ATOM     25  C   LIG    1       -0.985   4.317   2.383  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       -2.740  -1.176   0.164  0.00  0.00    +0.079 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -3.231  -2.048  -0.993  0.00  0.00    +0.043 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -4.656  -2.495  -0.781  0.00  0.00    -0.047 A 
ATOM     29  C   LIG    1       -5.719  -1.781  -1.350  0.00  0.00    +0.003 A 
ATOM     30  C   LIG    1       -7.037  -2.185  -1.132  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -7.304  -3.302  -0.342  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -6.253  -4.016   0.231  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -4.935  -3.615   0.014  0.00  0.00    +0.003 A 
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  10  26
TORSDOF 8