REMARK  Name = BDB058493
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.006   0.838  -0.602  0.00  0.00    -0.003 A 
ATOM      2  C   LIG    1        0.261   1.407  -0.565  0.00  0.00    +0.027 A 
ATOM      3  S   LIG    1        0.187   3.110  -0.792  0.00  0.00    -0.091 S 
ATOM      4  C   LIG    1       -1.514   3.104  -0.940  0.00  0.00    +0.005 A 
ATOM      5  C   LIG    1       -2.020   1.825  -0.830  0.00  0.00    +0.021 A 
ENDROOT
BRANCH   1   9
ATOM      6  C   LIG    1       -1.740  -3.375  -0.130  0.00  0.00    -0.042 A 
ATOM      7  C   LIG    1       -2.174  -2.673  -1.271  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -1.935  -1.302  -1.422  0.00  0.00    +0.009 A 
ATOM      9  C   LIG    1       -1.249  -0.592  -0.436  0.00  0.00    -0.017 A 
ATOM     10  C   LIG    1       -0.821  -1.269   0.708  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1       -1.061  -2.641   0.856  0.00  0.00    +0.005 A 
BRANCH   6  13
ATOM     12  C   LIG    1       -3.539  -5.138  -0.033  0.00  0.00    +0.015 C 
ATOM     13  C   LIG    1       -2.017  -4.883   0.000  0.00  0.00    -0.013 C 
ATOM     14  C   LIG    1       -1.350  -5.635  -1.173  0.00  0.00    +0.015 C 
ATOM     15  C   LIG    1       -1.478  -5.507   1.307  0.00  0.00    +0.015 C 
ENDBRANCH   6  13
ENDBRANCH   1   9
BRANCH   2  16
ATOM     16  C   LIG    1        1.582   0.783  -0.406  0.00  0.00    -0.011 A 
ATOM     17  C   LIG    1        2.013  -0.199  -1.302  0.00  0.00    +0.009 A 
ATOM     18  C   LIG    1        3.263  -0.814  -1.149  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1        4.123  -0.467  -0.095  0.00  0.00    -0.042 A 
ATOM     20  C   LIG    1        3.675   0.524   0.799  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1        2.427   1.138   0.648  0.00  0.00    +0.009 A 
BRANCH  19  22
ATOM     22  C   LIG    1        5.500  -1.124   0.105  0.00  0.00    -0.013 C 
ATOM     23  C   LIG    1        6.603  -0.045   0.046  0.00  0.00    +0.015 C 
ATOM     24  C   LIG    1        5.845  -2.189  -0.960  0.00  0.00    +0.015 C 
ATOM     25  C   LIG    1        5.546  -1.823   1.481  0.00  0.00    +0.015 C 
ENDBRANCH  19  22
ENDBRANCH   2  16
BRANCH   4  26
ATOM     26  C   LIG    1       -2.263   4.387  -1.178  0.00  0.00    +0.127 C 
BRANCH  26  27
ATOM     27  N   LIG    1       -3.317   4.614  -0.174  0.00  0.00    -0.293 NA
ATOM     28  C   LIG    1       -4.184   5.753  -0.544  0.00  0.00    +0.113 C 
ATOM     29  C   LIG    1       -3.827   7.058   0.184  0.00  0.00    +0.175 C 
ATOM     30  O   LIG    1       -3.914   6.949   1.611  0.00  0.00    -0.377 OA
ATOM     31  C   LIG    1       -3.686   5.615   2.088  0.00  0.00    +0.175 C 
ATOM     32  C   LIG    1       -2.742   4.816   1.177  0.00  0.00    +0.113 C 
ENDBRANCH  26  27
ENDBRANCH   4  26
TORSDOF 6