REMARK  Name = BDB058890
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.317  -0.016   0.671  0.00  0.00    -0.108 NA
ATOM      2  H   LIG    1       -0.306  -0.458   1.605  0.00  0.00    +0.172 HD
ENDROOT
BRANCH   1   4
ATOM      3  C   LIG    1        2.113  -0.171   1.094  0.00  0.00    +0.259 C 
ATOM      4  N   LIG    1        1.132   0.337   0.257  0.00  0.00    -0.228 N 
ATOM      5  H   LIG    1        1.286   0.304  -0.753  0.00  0.00    +0.171 HD
ATOM      6  O   LIG    1        1.846  -0.650   2.193  0.00  0.00    -0.269 OA
BRANCH   3  10
ATOM      7  C   LIG    1        6.167  -0.170  -0.335  0.00  0.00    +0.120 A 
ATOM      8  C   LIG    1        5.756  -1.045   0.673  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1        4.436  -1.034   1.132  0.00  0.00    +0.016 A 
ATOM     10  C   LIG    1        3.508  -0.148   0.577  0.00  0.00    +0.038 A 
ATOM     11  C   LIG    1        3.920   0.741  -0.424  0.00  0.00    +0.016 A 
ATOM     12  C   LIG    1        5.246   0.726  -0.879  0.00  0.00    +0.046 A 
BRANCH   7  14
ATOM     13  C   LIG    1        7.954   0.576  -1.717  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1        7.482  -0.286  -0.689  0.00  0.00    -0.495 OA
ENDBRANCH   7  14
ENDBRANCH   3  10
ENDBRANCH   1   4
BRANCH   1  15
ATOM     15  S   LIG    1       -1.090  -1.086  -0.421  0.00  0.00    +0.074 S 
ATOM     16  O   LIG    1       -1.174  -2.374   0.231  0.00  0.00    -0.152 OA
ATOM     17  O   LIG    1       -0.441  -0.919  -1.707  0.00  0.00    -0.152 OA
BRANCH  15  18
ATOM     18  C   LIG    1       -2.710  -0.378  -0.509  0.00  0.00    +0.107 A 
ATOM     19  C   LIG    1       -3.746  -0.920   0.256  0.00  0.00    +0.037 A 
ATOM     20  C   LIG    1       -5.037  -0.377   0.176  0.00  0.00    -0.016 A 
ATOM     21  C   LIG    1       -5.280   0.716  -0.692  0.00  0.00    -0.018 A 
ATOM     22  C   LIG    1       -6.574   1.255  -0.768  0.00  0.00    +0.008 A 
ATOM     23  C   LIG    1       -7.614   0.727  -0.002  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -7.375  -0.348   0.849  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -4.226   1.236  -1.460  0.00  0.00    +0.010 A 
ATOM     26  C   LIG    1       -6.095  -0.897   0.938  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1       -2.944   0.691  -1.375  0.00  0.00    +0.029 A 
ENDBRANCH  15  18
ENDBRANCH   1  15
TORSDOF 5