REMARK  Name = BDB050229
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.099  -0.403   0.602  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1       -0.832   0.769   0.794  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1       -1.943   1.056  -0.003  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1       -2.340   0.166  -1.007  0.00  0.00    -0.047 A 
ATOM      5  C   LIG    1       -1.601  -1.009  -1.198  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -0.489  -1.293  -0.398  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1        0.962  -0.558   1.450  0.00  0.00    -0.492 OA
BRANCH   7   8
ATOM      8  C   LIG    1        1.780  -1.719   1.270  0.00  0.00    +0.235 C 
BRANCH   8   9
ATOM      9  C   LIG    1        2.926  -1.673   2.279  0.00  0.00    +0.100 C 
BRANCH   9  14
ATOM     10  C   LIG    1        5.856  -0.065   1.049  0.00  0.00    +0.234 A 
ATOM     11  O   LIG    1        5.234   1.078   1.498  0.00  0.00    -0.440 OA
ATOM     12  C   LIG    1        4.051   0.652   2.027  0.00  0.00    +0.126 A 
ATOM     13  C   LIG    1        3.156   1.681   2.581  0.00  0.00    +0.088 C 
ATOM     14  C   LIG    1        3.993  -0.716   1.882  0.00  0.00    +0.086 A 
ATOM     15  N   LIG    1        5.141  -1.159   1.262  0.00  0.00    -0.213 NA
BRANCH  10  19
ATOM     16  C   LIG    1       10.522   1.255  -1.083  0.00  0.00    +0.051 C 
ATOM     17  C   LIG    1        9.331   0.509  -0.588  0.00  0.00    -0.013 A 
ATOM     18  S   LIG    1        8.040   1.357   0.148  0.00  0.00    -0.089 S 
ATOM     19  C   LIG    1        7.146  -0.078   0.414  0.00  0.00    +0.074 A 
ATOM     20  C   LIG    1        7.828  -1.185  -0.054  0.00  0.00    +0.021 A 
ATOM     21  C   LIG    1        9.087  -0.847  -0.632  0.00  0.00    +0.012 A 
ENDBRANCH  10  19
ENDBRANCH   9  14
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  22
ATOM     22  C   LIG    1       -3.549   0.463  -1.862  0.00  0.00    +0.043 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.755  -0.441  -1.548  0.00  0.00    +0.045 C 
ATOM     24  C   LIG    1       -5.911  -0.175  -2.513  0.00  0.00    +0.170 C 
ATOM     25  O   LIG    1       -6.781   0.808  -1.967  0.00  0.00    -0.340 OA
ATOM     26  C   LIG    1       -7.423   0.363  -0.775  0.00  0.00    +0.267 C 
ATOM     27  C   LIG    1       -8.736  -0.333  -1.136  0.00  0.00    +0.087 C 
ATOM     28  O   LIG    1       -6.628  -0.577  -0.017  0.00  0.00    -0.340 OA
ATOM     29  C   LIG    1       -5.239  -0.248  -0.110  0.00  0.00    +0.170 C 
BRANCH  26  30
ATOM     30  C   LIG    1       -7.794   1.546   0.177  0.00  0.00    +0.365 C 
ATOM     31  O   LIG    1       -8.113   2.675  -0.164  0.00  0.00    -0.245 OA
BRANCH  30  32
ATOM     32  O   LIG    1       -7.736   1.173   1.490  0.00  0.00    -0.477 OA
ATOM     33  H   LIG    1       -7.406   0.248   1.544  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  26  30
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 9