REMARK  Name = BDB049529
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.792   0.526  -1.809  0.00  0.00    -0.490 OA
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.992   0.142  -1.276  0.00  0.00    +0.121 A 
ATOM      3  C   LIG    1        2.174  -0.742  -0.214  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1        3.464  -1.049   0.234  0.00  0.00    +0.007 A 
ATOM      5  C   LIG    1        4.588  -0.477  -0.374  0.00  0.00    -0.046 A 
ATOM      6  C   LIG    1        4.399   0.412  -1.438  0.00  0.00    +0.007 A 
ATOM      7  C   LIG    1        3.110   0.716  -1.884  0.00  0.00    +0.046 A 
BRANCH   5   8
ATOM      8  C   LIG    1        5.983  -0.790   0.119  0.00  0.00    +0.059 C 
BRANCH   8   9
ATOM      9  C   LIG    1        6.478   0.239   1.137  0.00  0.00    +0.146 C 
ATOM     10  C   LIG    1        6.166  -0.160   2.569  0.00  0.00    +0.234 C 
ATOM     11  O   LIG    1        5.104  -0.615   2.973  0.00  0.00    -0.274 OA
ATOM     12  N   LIG    1        7.231   0.046   3.395  0.00  0.00    -0.246 N 
ATOM     13  H   LIG    1        7.172  -0.223   4.364  0.00  0.00    +0.158 HD
ATOM     14  C   LIG    1        8.450   0.183   2.828  0.00  0.00    +0.279 C 
ATOM     15  O   LIG    1        9.515   0.128   3.418  0.00  0.00    -0.263 OA
ATOM     16  S   LIG    1        8.303   0.379   1.103  0.00  0.00    -0.054 S 
ENDBRANCH   8   9
ENDBRANCH   5   8
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1       -0.386  -0.042  -1.230  0.00  0.00    +0.248 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -1.604   0.513  -1.977  0.00  0.00    +0.148 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -2.861  -0.045  -1.465  0.00  0.00    -0.304 N 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.539   0.526  -0.417  0.00  0.00    +0.162 A 
ATOM     21  S   LIG    1       -3.026   1.976   0.389  0.00  0.00    -0.052 S 
ATOM     22  C   LIG    1       -4.371   1.909   1.449  0.00  0.00    +0.041 A 
ATOM     23  C   LIG    1       -5.132   0.789   1.131  0.00  0.00    +0.080 A 
ATOM     24  C   LIG    1       -6.299   0.527   1.877  0.00  0.00    +0.029 A 
ATOM     25  C   LIG    1       -6.669   1.387   2.916  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -5.891   2.501   3.216  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -4.730   2.782   2.489  0.00  0.00    +0.017 A 
ATOM     28  N   LIG    1       -4.650   0.028   0.084  0.00  0.00    -0.225 NA
ENDBRANCH  19  20
BRANCH  19  30
ATOM     29  C   LIG    1       -3.332  -2.469  -1.078  0.00  0.00    +0.028 C 
ATOM     30  C   LIG    1       -3.320  -1.308  -2.073  0.00  0.00    +0.069 C 
ATOM     31  C   LIG    1       -4.660  -1.140  -2.789  0.00  0.00    +0.028 C 
ENDBRANCH  19  30
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 8