REMARK  Name = BDB046062
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.845   1.631  -0.379  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1       -1.402   1.401   0.689  0.00  0.00    +0.215 C 
ATOM      3  N   LIG    1       -0.744   1.396   1.901  0.00  0.00    -0.308 N 
ATOM      4  H   LIG    1       -1.181   0.876   2.655  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.708   1.457   1.948  0.00  0.00    +0.184 C 
BRANCH   5   6
ATOM      6  C   LIG    1        1.257   0.035   2.004  0.00  0.00    +0.180 C 
ATOM      7  O   LIG    1        0.569  -0.908   2.402  0.00  0.00    -0.290 OA
BRANCH   6   8
ATOM      8  C   LIG    1        2.676  -0.207   1.609  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1        3.104  -1.533   1.448  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1        4.423  -1.811   1.083  0.00  0.00    +0.047 A 
ATOM     11  C   LIG    1        5.319  -0.766   0.864  0.00  0.00    +0.128 A 
ATOM     12  C   LIG    1        4.910   0.557   1.051  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1        3.590   0.838   1.417  0.00  0.00    +0.015 A 
BRANCH  11  14
ATOM     14  O   LIG    1        6.611  -1.109   0.539  0.00  0.00    -0.456 OA
BRANCH  14  15
ATOM     15  C   LIG    1        7.215  -0.401  -0.474  0.00  0.00    +0.128 A 
ATOM     16  C   LIG    1        8.513   0.056  -0.244  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1        9.192   0.754  -1.243  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1        8.578   0.979  -2.476  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        7.289   0.500  -2.714  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1        6.608  -0.198  -1.716  0.00  0.00    +0.046 A 
ENDBRANCH  14  15
ENDBRANCH  11  14
ENDBRANCH   6   8
ENDBRANCH   5   6
ENDBRANCH   3   5
BRANCH   2  21
ATOM     21  C   LIG    1       -2.873   1.077   0.814  0.00  0.00    +0.117 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.586   1.244  -0.526  0.00  0.00    +0.136 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -5.003   0.848  -0.447  0.00  0.00    -0.297 N 
ATOM     24  C   LIG    1       -5.875   1.829   0.023  0.00  0.00    +0.330 A 
ATOM     25  O   LIG    1       -5.532   2.966   0.342  0.00  0.00    -0.246 OA
ATOM     26  N   LIG    1       -7.181   1.465   0.134  0.00  0.00    -0.275 N 
ATOM     27  H   LIG    1       -7.819   2.171   0.465  0.00  0.00    +0.173 HD
ATOM     28  C   LIG    1       -7.682   0.220  -0.066  0.00  0.00    +0.258 A 
ATOM     29  O   LIG    1       -8.872  -0.027   0.100  0.00  0.00    -0.267 OA
ATOM     30  C   LIG    1       -6.715  -0.820  -0.498  0.00  0.00    +0.046 A 
ATOM     31  C   LIG    1       -7.330  -2.184  -0.631  0.00  0.00    +0.111 C 
ATOM     32  S   LIG    1       -6.117  -3.529  -0.607  0.00  0.00    -0.155 S 
ATOM     33  C   LIG    1       -4.948  -2.791  -1.763  0.00  0.00    +0.075 C 
ATOM     34  C   LIG    1       -4.404  -1.470  -1.218  0.00  0.00    +0.064 C 
ATOM     35  C   LIG    1       -5.428  -0.465  -0.707  0.00  0.00    +0.033 A 
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   2  21
TORSDOF 8