REMARK  Name = BDB046032
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.471  -2.162   0.749  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1       -0.629  -1.121   0.121  0.00  0.00    +0.215 C 
ATOM      3  N   LIG    1        0.410  -0.294  -0.221  0.00  0.00    -0.308 N 
ATOM      4  H   LIG    1        0.259   0.534  -0.792  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.785  -0.637   0.086  0.00  0.00    +0.184 C 
BRANCH   5   6
ATOM      6  C   LIG    1        2.704   0.469  -0.415  0.00  0.00    +0.180 C 
ATOM      7  O   LIG    1        2.262   1.445  -1.024  0.00  0.00    -0.290 OA
BRANCH   6   8
ATOM      8  C   LIG    1        4.171   0.351  -0.160  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        5.007   1.389  -0.596  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        6.395   1.337  -0.386  0.00  0.00    -0.017 A 
ATOM     11  C   LIG    1        6.954   0.220   0.275  0.00  0.00    -0.018 A 
ATOM     12  C   LIG    1        8.341   0.169   0.485  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1        9.167   1.206   0.049  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        8.617   2.306  -0.602  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        6.110  -0.815   0.707  0.00  0.00    +0.009 A 
ATOM     16  C   LIG    1        7.239   2.372  -0.818  0.00  0.00    +0.008 A 
ATOM     17  C   LIG    1        4.729  -0.753   0.492  0.00  0.00    +0.012 A 
ENDBRANCH   6   8
ENDBRANCH   5   6
ENDBRANCH   3   5
BRANCH   2  18
ATOM     18  C   LIG    1       -1.978  -0.601  -0.318  0.00  0.00    +0.117 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.072  -1.635  -0.064  0.00  0.00    +0.136 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -4.406  -1.119  -0.415  0.00  0.00    -0.297 N 
ATOM     21  C   LIG    1       -4.755  -1.221  -1.761  0.00  0.00    +0.330 A 
ATOM     22  O   LIG    1       -4.037  -1.721  -2.626  0.00  0.00    -0.246 OA
ATOM     23  N   LIG    1       -5.968  -0.713  -2.106  0.00  0.00    -0.275 N 
ATOM     24  H   LIG    1       -6.229  -0.787  -3.076  0.00  0.00    +0.173 HD
ATOM     25  C   LIG    1       -6.806  -0.026  -1.288  0.00  0.00    +0.258 A 
ATOM     26  O   LIG    1       -7.862   0.442  -1.700  0.00  0.00    -0.267 OA
ATOM     27  C   LIG    1       -6.376   0.124   0.124  0.00  0.00    +0.046 A 
ATOM     28  C   LIG    1       -7.324   0.948   0.950  0.00  0.00    +0.111 C 
ATOM     29  S   LIG    1       -6.580   1.597   2.469  0.00  0.00    -0.155 S 
ATOM     30  C   LIG    1       -5.792   0.065   2.999  0.00  0.00    +0.075 C 
ATOM     31  C   LIG    1       -4.762  -0.400   1.969  0.00  0.00    +0.064 C 
ATOM     32  C   LIG    1       -5.220  -0.455   0.517  0.00  0.00    +0.033 A 
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   2  18
TORSDOF 6