REMARK  Name = BDB017394
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.569   1.860  -1.229  0.00  0.00    +0.160 C 
ATOM      2  C   LIG    1       -1.627   1.042  -0.304  0.00  0.00    +0.237 C 
ATOM      3  O   LIG    1       -1.362  -0.141  -0.549  0.00  0.00    -0.274 OA
ATOM      4  N   LIG    1       -1.014   1.691   0.739  0.00  0.00    -0.276 N 
ATOM      5  C   LIG    1       -1.170   3.075   1.133  0.00  0.00    +0.135 C 
ATOM      6  C   LIG    1        0.001   3.333   2.091  0.00  0.00    +0.036 C 
ATOM      7  C   LIG    1        0.292   1.954   2.686  0.00  0.00    +0.034 C 
ATOM      8  S   LIG    1       -2.740   3.318   2.021  0.00  0.00    -0.138 S 
ATOM      9  C   LIG    1       -3.912   2.501   0.886  0.00  0.00    +0.073 C 
ATOM     10  C   LIG    1        0.034   1.024   1.503  0.00  0.00    +0.163 C 
ATOM     11  C   LIG    1       -3.620   2.777  -0.583  0.00  0.00    +0.042 C 
ENDROOT
BRANCH   1  13
ATOM     12  C   LIG    1       -4.163   0.072  -1.925  0.00  0.00    +0.230 C 
ATOM     13  N   LIG    1       -3.131   0.942  -2.232  0.00  0.00    -0.303 N 
ATOM     14  H   LIG    1       -2.443   0.564  -2.874  0.00  0.00    +0.149 HD
ATOM     15  O   LIG    1       -4.846   0.162  -0.907  0.00  0.00    -0.274 OA
BRANCH  12  16
ATOM     16  C   LIG    1       -4.413  -1.008  -3.003  0.00  0.00    +0.137 C 
ATOM     17  C   LIG    1       -5.277  -0.409  -4.109  0.00  0.00    +0.034 C 
BRANCH  16  19
ATOM     18  C   LIG    1       -4.205  -2.985  -1.611  0.00  0.00    +0.101 C 
ATOM     19  N   LIG    1       -5.110  -2.176  -2.423  0.00  0.00    -0.309 NA
ATOM     20  H   LIG    1       -5.845  -1.813  -1.808  0.00  0.00    +0.122 HD
ENDBRANCH  16  19
ENDBRANCH  12  16
ENDBRANCH   1  13
BRANCH  10  21
ATOM     21  C   LIG    1        1.321   0.891   0.657  0.00  0.00    +0.234 C 
ATOM     22  N   LIG    1        2.203  -0.057   1.131  0.00  0.00    -0.307 N 
ATOM     23  H   LIG    1        1.857  -0.761   1.770  0.00  0.00    +0.149 HD
ATOM     24  O   LIG    1        1.568   1.619  -0.303  0.00  0.00    -0.274 OA
BRANCH  22  25
ATOM     25  C   LIG    1        3.428  -0.381   0.412  0.00  0.00    +0.103 C 
ATOM     26  C   LIG    1        4.447  -1.006   1.353  0.00  0.00    -0.024 A 
ATOM     27  C   LIG    1        5.210  -2.129   0.974  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1        6.143  -2.670   1.872  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        6.351  -2.088   3.121  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        5.630  -0.957   3.487  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        5.024  -2.797  -0.366  0.00  0.00    +0.035 C 
ATOM     32  C   LIG    1        4.351  -1.888  -1.389  0.00  0.00    +0.007 C 
ATOM     33  C   LIG    1        4.691  -0.417   2.608  0.00  0.00    +0.006 A 
ATOM     34  C   LIG    1        3.092  -1.276  -0.793  0.00  0.00    +0.027 C 
ENDBRANCH  22  25
ENDBRANCH  10  21
TORSDOF 5