REMARK  Name = BDB033011
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.582  -1.453   0.323  0.00  0.00    +0.047 A 
ATOM      2  C   LIG    1       -1.269  -0.253   0.609  0.00  0.00    +0.058 A 
ATOM      3  C   LIG    1       -0.551   0.878   1.025  0.00  0.00    +0.017 A 
ATOM      4  C   LIG    1        0.843   0.839   1.118  0.00  0.00    +0.024 A 
ATOM      5  C   LIG    1        1.550  -0.329   0.828  0.00  0.00    +0.029 A 
ATOM      6  C   LIG    1        0.818  -1.454   0.404  0.00  0.00    +0.047 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -1.982  -4.844  -0.603  0.00  0.00    +0.109 C 
ATOM      8  C   LIG    1       -0.860  -3.877  -0.320  0.00  0.00    +0.214 C 
ATOM      9  N   LIG    1       -1.323  -2.609  -0.035  0.00  0.00    -0.285 N 
ATOM     10  H   LIG    1       -2.338  -2.498   0.026  0.00  0.00    +0.155 HD
ATOM     11  O   LIG    1        0.308  -4.251  -0.334  0.00  0.00    -0.276 OA
ENDBRANCH   1   9
BRANCH   2  12
ATOM     12  C   LIG    1       -2.758  -0.174   0.468  0.00  0.00    +0.250 C 
ATOM     13  N   LIG    1       -3.252   1.048   0.053  0.00  0.00    -0.276 N 
ATOM     14  H   LIG    1       -2.621   1.787  -0.230  0.00  0.00    +0.156 HD
ATOM     15  O   LIG    1       -3.427  -1.184   0.672  0.00  0.00    -0.270 OA
BRANCH  13  16
ATOM     16  C   LIG    1       -4.593   1.304  -0.106  0.00  0.00    +0.074 A 
ATOM     17  S   LIG    1       -4.928   2.860  -0.708  0.00  0.00    -0.050 S 
ATOM     18  C   LIG    1       -6.602   2.564  -0.671  0.00  0.00    +0.165 A 
ATOM     19  C   LIG    1       -6.910   1.302  -0.206  0.00  0.00    +0.042 A 
ATOM     20  C   LIG    1       -5.729   0.567   0.126  0.00  0.00    +0.033 A 
BRANCH  18  21
ATOM     21  N   LIG    1       -7.535   3.575  -1.095  0.00  0.00    +0.063 N 
ATOM     22  O   LIG    1       -7.087   4.664  -1.476  0.00  0.00    -0.126 OA
ATOM     23  O   LIG    1       -8.734   3.271  -1.044  0.00  0.00    -0.126 OA
ENDBRANCH  18  21
ENDBRANCH  13  16
ENDBRANCH   2  12
BRANCH   5  24
ATOM     24  N   LIG    1        2.946  -0.401   0.816  0.00  0.00    -0.344 N 
ATOM     25  H   LIG    1        3.272  -1.364   0.890  0.00  0.00    +0.146 HD
BRANCH  24  26
ATOM     26  C   LIG    1        3.736   0.536   1.603  0.00  0.00    +0.101 C 
BRANCH  26  27
ATOM     27  C   LIG    1        5.223   0.179   1.524  0.00  0.00    +0.020 C 
BRANCH  27  28
ATOM     28  C   LIG    1        5.831   0.211   0.116  0.00  0.00    +0.016 C 
BRANCH  28  29
ATOM     29  C   LIG    1        5.729   1.579  -0.558  0.00  0.00    +0.078 C 
BRANCH  29  30
ATOM     30  N   LIG    1        6.459   1.577  -1.820  0.00  0.00    -0.330 NA
ATOM     31  H   LIG    1        6.418   2.505  -2.240  0.00  0.00    +0.118 HD
ATOM     32  H   LIG    1        7.444   1.380  -1.652  0.00  0.00    +0.118 HD
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH   5  24
TORSDOF 10