REMARK  Name = BDB017401
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.132   1.612  -0.678  0.00  0.00    +0.160 C 
ATOM      2  C   LIG    1       -1.757   0.956  -0.452  0.00  0.00    +0.237 C 
ATOM      3  O   LIG    1       -1.655  -0.164   0.059  0.00  0.00    -0.274 OA
ATOM      4  N   LIG    1       -0.652   1.706  -0.786  0.00  0.00    -0.276 N 
ATOM      5  C   LIG    1       -0.638   2.905  -1.603  0.00  0.00    +0.135 C 
ATOM      6  C   LIG    1        0.850   3.245  -1.744  0.00  0.00    +0.036 C 
ATOM      7  C   LIG    1        1.521   1.876  -1.699  0.00  0.00    +0.034 C 
ATOM      8  S   LIG    1       -1.534   4.348  -0.968  0.00  0.00    -0.138 S 
ATOM      9  C   LIG    1       -2.248   3.701   0.572  0.00  0.00    +0.073 C 
ATOM     10  C   LIG    1        0.681   1.114  -0.675  0.00  0.00    +0.163 C 
ATOM     11  C   LIG    1       -3.385   2.701   0.364  0.00  0.00    +0.042 C 
ENDROOT
BRANCH   1  13
ATOM     12  C   LIG    1       -4.476  -0.179  -1.697  0.00  0.00    +0.230 C 
ATOM     13  N   LIG    1       -4.143   0.559  -0.575  0.00  0.00    -0.303 N 
ATOM     14  H   LIG    1       -4.120   0.036   0.291  0.00  0.00    +0.149 HD
ATOM     15  O   LIG    1       -4.160   0.159  -2.836  0.00  0.00    -0.274 OA
BRANCH  12  16
ATOM     16  C   LIG    1       -5.212  -1.505  -1.407  0.00  0.00    +0.137 C 
ATOM     17  C   LIG    1       -6.417  -1.293  -0.491  0.00  0.00    +0.034 C 
BRANCH  16  19
ATOM     18  C   LIG    1       -3.328  -2.998  -1.757  0.00  0.00    +0.101 C 
ATOM     19  N   LIG    1       -4.293  -2.486  -0.787  0.00  0.00    -0.309 NA
ATOM     20  H   LIG    1       -3.772  -2.047  -0.027  0.00  0.00    +0.122 HD
ENDBRANCH  16  19
ENDBRANCH  12  16
ENDBRANCH   1  13
BRANCH  10  21
ATOM     21  C   LIG    1        1.254   1.275   0.748  0.00  0.00    +0.234 C 
ATOM     22  N   LIG    1        2.342   0.529   1.106  0.00  0.00    -0.307 N 
ATOM     23  H   LIG    1        2.635   0.693   2.062  0.00  0.00    +0.149 HD
ATOM     24  O   LIG    1        0.822   2.102   1.553  0.00  0.00    -0.274 OA
BRANCH  22  25
ATOM     25  C   LIG    1        2.853  -0.675   0.461  0.00  0.00    +0.103 C 
ATOM     26  C   LIG    1        4.308  -0.861   0.843  0.00  0.00    -0.024 A 
ATOM     27  C   LIG    1        4.714  -1.851   1.758  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1        6.073  -1.972   2.087  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        7.019  -1.108   1.536  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        6.619  -0.118   0.644  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        3.734  -2.833   2.353  0.00  0.00    +0.035 C 
ATOM     32  C   LIG    1        2.281  -2.386   2.231  0.00  0.00    +0.007 C 
ATOM     33  C   LIG    1        5.274   0.006   0.301  0.00  0.00    +0.006 A 
ATOM     34  C   LIG    1        1.990  -1.897   0.816  0.00  0.00    +0.027 C 
ENDBRANCH  22  25
ENDBRANCH  10  21
TORSDOF 5