REMARK  Name = BDB033429
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -1.218  -2.750   2.421  0.00  0.00    +0.096 S 
ATOM      2  O   LIG    1       -0.868  -3.899   3.231  0.00  0.00    -0.148 OA
ATOM      3  O   LIG    1       -2.420  -1.990   2.721  0.00  0.00    -0.148 OA
ENDROOT
BRANCH   1   6
ATOM      4  C   LIG    1        1.915  -0.372   2.024  0.00  0.00    +0.135 A 
ATOM      5  N   LIG    1        1.022  -1.352   1.596  0.00  0.00    -0.216 NA
ATOM      6  C   LIG    1        0.148  -1.619   2.545  0.00  0.00    +0.236 A 
ATOM      7  S   LIG    1        0.352  -0.773   4.013  0.00  0.00    -0.055 S 
ATOM      8  C   LIG    1        1.700   0.045   3.330  0.00  0.00    +0.081 A 
BRANCH   4  11
ATOM      9  N   LIG    1        3.375   1.423   1.354  0.00  0.00    -0.308 N 
ATOM     10  H   LIG    1        2.874   1.981   2.029  0.00  0.00    +0.149 HD
ATOM     11  C   LIG    1        2.964   0.123   1.117  0.00  0.00    +0.263 C 
ATOM     12  O   LIG    1        3.406  -0.561   0.200  0.00  0.00    -0.269 OA
BRANCH   9  13
ATOM     13  C   LIG    1        4.297   2.109   0.463  0.00  0.00    +0.132 C 
BRANCH  13  14
ATOM     14  C   LIG    1        3.592   3.039  -0.535  0.00  0.00    +0.178 C 
BRANCH  14  16
ATOM     15  C   LIG    1        1.641   2.128  -1.548  0.00  0.00    +0.194 C 
ATOM     16  O   LIG    1        3.044   2.322  -1.639  0.00  0.00    -0.381 OA
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH   9  13
ENDBRANCH   4  11
ENDBRANCH   1   6
BRANCH   1  17
ATOM     17  N   LIG    1       -1.369  -3.312   0.826  0.00  0.00    -0.212 N 
ATOM     18  H   LIG    1       -2.089  -4.030   0.779  0.00  0.00    +0.174 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -1.465  -2.333  -0.210  0.00  0.00    +0.072 A 
ATOM     20  C   LIG    1       -2.570  -1.494  -0.402  0.00  0.00    +0.071 A 
ATOM     21  C   LIG    1       -2.657  -0.592  -1.473  0.00  0.00    +0.022 A 
ATOM     22  C   LIG    1       -3.914   0.078  -1.339  0.00  0.00    +0.077 A 
ATOM     23  C   LIG    1       -4.539  -0.405  -0.210  0.00  0.00    +0.102 A 
ATOM     24  C   LIG    1       -1.580  -0.515  -2.400  0.00  0.00    -0.040 A 
ATOM     25  C   LIG    1       -1.569   0.423  -3.578  0.00  0.00    +0.044 C 
ATOM     26  C   LIG    1       -0.469  -1.357  -2.194  0.00  0.00    +0.006 A 
ATOM     27  N   LIG    1       -3.717  -1.342   0.350  0.00  0.00    -0.358 N 
ATOM     28  H   LIG    1       -3.872  -1.804   1.241  0.00  0.00    +0.165 HD
ATOM     29  C   LIG    1       -0.419  -2.251  -1.128  0.00  0.00    +0.027 A 
BRANCH  22  30
ATOM     30  C   LIG    1       -4.462   1.091  -2.187  0.00  0.00    +0.101 C 
ATOM     31  N   LIG    1       -4.903   1.918  -2.872  0.00  0.00    -0.191 NA
ENDBRANCH  22  30
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 8