REMARK  Name = BDB033585
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.794  -0.622  -0.864  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        0.432  -0.180  -0.305  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        0.859  -1.257   0.447  0.00  0.00    +0.176 A 
ATOM      4  C   LIG    1        2.033  -1.283   1.187  0.00  0.00    +0.096 A 
ATOM      5  C   LIG    1        2.822  -0.126   1.116  0.00  0.00    +0.142 A 
ATOM      6  C   LIG    1        2.430   1.010   0.380  0.00  0.00    +0.038 A 
ATOM      7  C   LIG    1        3.292   2.245   0.371  0.00  0.00    +0.046 C 
ATOM      8  C   LIG    1        2.872   3.202  -0.734  0.00  0.00    +0.046 C 
ATOM      9  C   LIG    1        1.359   3.311  -0.740  0.00  0.00    +0.229 C 
ATOM     10  O   LIG    1        0.747   2.058  -1.060  0.00  0.00    -0.491 OA
ATOM     11  O   LIG    1       -0.051  -2.262   0.349  0.00  0.00    -0.353 OA
ATOM     12  C   LIG    1        1.210   0.992  -0.328  0.00  0.00    +0.141 A 
ATOM     13  N   LIG    1       -1.093  -1.863  -0.471  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  14
ATOM     14  N   LIG    1       -1.581   0.160  -1.699  0.00  0.00    -0.196 N 
ATOM     15  H   LIG    1       -1.322   1.138  -1.811  0.00  0.00    +0.175 HD
BRANCH  14  16
ATOM     16  S   LIG    1       -3.182  -0.162  -2.054  0.00  0.00    +0.081 S 
ATOM     17  O   LIG    1       -3.214  -1.409  -2.790  0.00  0.00    -0.150 OA
ATOM     18  O   LIG    1       -3.710   1.051  -2.654  0.00  0.00    -0.150 OA
BRANCH  16  20
ATOM     19  C   LIG    1       -4.801  -1.413  -0.183  0.00  0.00    +0.150 A 
ATOM     20  C   LIG    1       -3.968  -0.329  -0.475  0.00  0.00    +0.191 A 
ATOM     21  C   LIG    1       -3.760   0.657   0.501  0.00  0.00    +0.150 A 
ATOM     22  C   LIG    1       -4.324   0.523   1.775  0.00  0.00    +0.048 A 
ATOM     23  C   LIG    1       -5.147  -0.562   2.062  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1       -5.400  -1.517   1.079  0.00  0.00    +0.048 A 
BRANCH  19  26
ATOM     25  C   LIG    1       -4.511  -3.585  -0.907  0.00  0.00    +0.277 C 
ATOM     26  O   LIG    1       -5.157  -2.330  -1.133  0.00  0.00    -0.493 OA
ENDBRANCH  19  26
BRANCH  21  27
ATOM     27  O   LIG    1       -2.954   1.739   0.253  0.00  0.00    -0.493 OA
ATOM     28  C   LIG    1       -3.730   2.936   0.141  0.00  0.00    +0.277 C 
ENDBRANCH  21  27
ENDBRANCH  16  20
ENDBRANCH  14  16
ENDBRANCH   1  14
BRANCH   5  29
ATOM     29  O   LIG    1        3.980  -0.071   1.862  0.00  0.00    -0.423 OA
BRANCH  29  30
ATOM     30  C   LIG    1        5.059  -0.806   1.380  0.00  0.00    +0.323 A 
ATOM     31  N   LIG    1        5.021  -1.319   0.135  0.00  0.00    -0.203 NA
ATOM     32  C   LIG    1        6.115  -1.995  -0.259  0.00  0.00    +0.118 A 
ATOM     33  C   LIG    1        7.226  -2.168   0.532  0.00  0.00    +0.040 A 
ATOM     34  C   LIG    1        7.160  -1.596   1.781  0.00  0.00    +0.118 A 
ATOM     35  N   LIG    1        6.094  -0.909   2.230  0.00  0.00    -0.203 NA
ENDBRANCH  29  30
ENDBRANCH   5  29
TORSDOF 7