REMARK  Name = BDB037223
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.501   1.793  -0.441  0.00  0.00    -0.180 N 
ATOM      2  H   LIG    1       -1.362   2.361   0.388  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1       -0.702   0.666  -0.705  0.00  0.00    +0.281 C 
ATOM      4  O   LIG    1       -1.064  -0.248  -1.430  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.628   0.651  -0.009  0.00  0.00    +0.131 A 
ATOM      6  N   LIG    1        1.153  -0.581   0.215  0.00  0.00    -0.208 NA
ATOM      7  C   LIG    1        2.343  -0.647   0.846  0.00  0.00    +0.220 A 
ATOM      8  C   LIG    1        3.039   0.466   1.304  0.00  0.00    +0.035 A 
ATOM      9  C   LIG    1        2.476   1.725   1.057  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        1.256   1.824   0.394  0.00  0.00    +0.033 A 
BRANCH   7  11
ATOM     11  O   LIG    1        2.910  -1.886   1.070  0.00  0.00    -0.479 OA
ATOM     12  C   LIG    1        2.183  -2.958   0.473  0.00  0.00    +0.279 C 
ENDBRANCH   7  11
BRANCH   8  13
ATOM     13  C   LIG    1        4.372   0.345   1.989  0.00  0.00    +0.184 C 
BRANCH  13  14
ATOM     14  N   LIG    1        5.464   0.569   1.053  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1        5.970   1.811   0.892  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        6.939   1.641  -0.011  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1        7.062   0.301  -0.421  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        6.097  -0.372   0.290  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   8  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -3.027   2.022  -1.079  0.00  0.00    +0.082 S 
ATOM     20  O   LIG    1       -2.847   2.174  -2.506  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -3.605   3.091  -0.289  0.00  0.00    -0.150 OA
BRANCH  19  23
ATOM     22  C   LIG    1       -4.709  -0.114  -1.624  0.00  0.00    +0.150 A 
ATOM     23  C   LIG    1       -3.910   0.554  -0.691  0.00  0.00    +0.195 A 
ATOM     24  C   LIG    1       -3.825   0.024   0.586  0.00  0.00    +0.196 A 
ATOM     25  O   LIG    1       -3.105   0.509   1.639  0.00  0.00    -0.450 OA
ATOM     26  C   LIG    1       -3.425  -0.447   2.671  0.00  0.00    +0.466 C 
ATOM     27  O   LIG    1       -4.305  -1.492   2.222  0.00  0.00    -0.453 OA
ATOM     28  C   LIG    1       -4.508  -1.123   0.929  0.00  0.00    +0.168 A 
ATOM     29  C   LIG    1       -5.310  -1.796   0.034  0.00  0.00    +0.053 A 
ATOM     30  C   LIG    1       -5.417  -1.276  -1.257  0.00  0.00    +0.051 A 
BRANCH  22  32
ATOM     31  C   LIG    1       -4.145  -0.350  -3.842  0.00  0.00    +0.277 C 
ATOM     32  O   LIG    1       -4.914   0.380  -2.882  0.00  0.00    -0.493 OA
ENDBRANCH  22  32
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 7