REMARK  Name = BDB037134
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.511   1.036  -1.328  0.00  0.00    -0.181 N 
ATOM      2  H   LIG    1        0.051   1.841  -0.924  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1        0.098  -0.280  -1.103  0.00  0.00    +0.263 C 
ATOM      4  O   LIG    1        0.701  -1.258  -1.517  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -1.150  -0.440  -0.309  0.00  0.00    +0.042 A 
ATOM      6  C   LIG    1       -1.591   0.520   0.609  0.00  0.00    +0.059 A 
ATOM      7  C   LIG    1       -2.785   0.316   1.308  0.00  0.00    +0.126 A 
ATOM      8  C   LIG    1       -3.537  -0.855   1.140  0.00  0.00    +0.016 A 
ATOM      9  C   LIG    1       -3.082  -1.815   0.223  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1       -1.900  -1.609  -0.494  0.00  0.00    +0.013 A 
BRANCH   7  11
ATOM     11  O   LIG    1       -3.186   1.234   2.243  0.00  0.00    -0.495 OA
ATOM     12  C   LIG    1       -3.619   2.447   1.624  0.00  0.00    +0.277 C 
ENDBRANCH   7  11
BRANCH   8  13
ATOM     13  C   LIG    1       -4.823  -1.078   1.899  0.00  0.00    +0.182 C 
BRANCH  13  14
ATOM     14  N   LIG    1       -5.984  -0.669   1.118  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1       -6.490   0.577   1.241  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1       -7.541   0.577   0.418  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1       -7.723  -0.663  -0.220  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1       -6.707  -1.454   0.260  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   8  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1        1.940   1.457  -2.078  0.00  0.00    +0.082 S 
ATOM     20  O   LIG    1        2.074   2.887  -1.876  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1        1.884   0.911  -3.417  0.00  0.00    -0.150 OA
BRANCH  19  25
ATOM     22  C   LIG    1        5.136  -0.569   0.510  0.00  0.00    +0.127 A 
ATOM     23  C   LIG    1        4.129   0.205   1.088  0.00  0.00    +0.093 A 
ATOM     24  C   LIG    1        3.177   0.849   0.290  0.00  0.00    +0.154 A 
ATOM     25  C   LIG    1        3.188   0.674  -1.100  0.00  0.00    +0.191 A 
ATOM     26  C   LIG    1        4.193  -0.104  -1.678  0.00  0.00    +0.154 A 
ATOM     27  C   LIG    1        5.175  -0.707  -0.876  0.00  0.00    +0.093 A 
BRANCH  22  29
ATOM     28  C   LIG    1        7.049  -1.937   0.862  0.00  0.00    +0.277 C 
ATOM     29  O   LIG    1        6.015  -1.121   1.400  0.00  0.00    -0.495 OA
ENDBRANCH  22  29
BRANCH  24  30
ATOM     30  O   LIG    1        2.199   1.599   0.895  0.00  0.00    -0.493 OA
ATOM     31  C   LIG    1        2.749   2.776   1.495  0.00  0.00    +0.277 C 
ENDBRANCH  24  30
BRANCH  26  32
ATOM     32  O   LIG    1        4.333  -0.221  -3.034  0.00  0.00    -0.493 OA
ATOM     33  C   LIG    1        3.872  -1.497  -3.487  0.00  0.00    +0.277 C 
ENDBRANCH  26  32
ENDBRANCH  19  25
ENDBRANCH   1  19
TORSDOF 9