REMARK  Name = BDB032931
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.523   0.245   0.143  0.00  0.00    +0.027 A 
ATOM      2  C   LIG    1       -0.799  -0.901   0.520  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1        0.580  -1.053   0.262  0.00  0.00    -0.031 A 
ATOM      4  C   LIG    1        1.225  -0.023  -0.443  0.00  0.00    +0.041 A 
ATOM      5  C   LIG    1        0.513   1.105  -0.870  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1       -0.849   1.228  -0.584  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        2.666  -0.090  -0.790  0.00  0.00    +0.250 C 
ATOM      8  N   LIG    1        3.407   0.896  -0.183  0.00  0.00    -0.261 N 
ATOM      9  H   LIG    1        2.967   1.548   0.451  0.00  0.00    +0.157 HD
ATOM     10  O   LIG    1        3.051  -0.976  -1.539  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1        4.756   1.015  -0.362  0.00  0.00    +0.167 A 
ATOM     12  S   LIG    1        5.459   2.296   0.525  0.00  0.00    -0.030 S 
ATOM     13  C   LIG    1        6.979   1.874  -0.124  0.00  0.00    +0.166 A 
ATOM     14  C   LIG    1        6.851   0.795  -0.969  0.00  0.00    +0.152 A 
ATOM     15  N   LIG    1        5.564   0.302  -1.103  0.00  0.00    -0.231 NA
BRANCH  13  16
ATOM     16  N   LIG    1        8.264   2.535   0.145  0.00  0.00    -0.022 NA
ATOM     17  O   LIG    1        8.208   3.492   0.925  0.00  0.00    -0.143 OA
ENDBRANCH  13  16
ENDBRANCH   8  11
ENDBRANCH   4   7
BRANCH   3  18
ATOM     18  C   LIG    1        1.312  -2.310   0.714  0.00  0.00    +0.014 C 
ATOM     19  C   LIG    1        0.942  -3.501  -0.173  0.00  0.00    +0.012 C 
ATOM     20  C   LIG    1        1.067  -2.638   2.192  0.00  0.00    +0.012 C 
ENDBRANCH   3  18
BRANCH   1  21
ATOM     21  N   LIG    1       -2.897   0.270   0.393  0.00  0.00    -0.344 N 
ATOM     22  H   LIG    1       -3.145  -0.284   1.210  0.00  0.00    +0.146 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -3.643   1.519   0.294  0.00  0.00    +0.101 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -5.106   1.299   0.693  0.00  0.00    +0.018 C 
BRANCH  24  26
ATOM     25  C   LIG    1       -5.983   0.746  -1.641  0.00  0.00    +0.004 C 
ATOM     26  C   LIG    1       -5.875   0.310  -0.188  0.00  0.00    -0.002 C 
ENDBRANCH  24  26
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   1  21
TORSDOF 8