REMARK  Name = BDB028697
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.171   0.827   1.959  0.00  0.00    -0.196 N 
ATOM      2  H   LIG    1       -0.980   1.767   1.617  0.00  0.00    +0.175 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -0.192  -0.138   1.765  0.00  0.00    +0.192 A 
ATOM      4  C   LIG    1        1.114   0.152   1.291  0.00  0.00    +0.106 A 
ATOM      5  C   LIG    1        1.730  -1.083   1.249  0.00  0.00    +0.173 A 
ATOM      6  C   LIG    1        3.042  -1.300   0.842  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1        3.769  -0.164   0.451  0.00  0.00    -0.019 A 
ATOM      8  C   LIG    1        3.163   1.111   0.481  0.00  0.00    +0.052 A 
ATOM      9  O   LIG    1        0.854  -2.037   1.662  0.00  0.00    -0.353 OA
ATOM     10  C   LIG    1        1.830   1.297   0.890  0.00  0.00    +0.135 A 
ATOM     11  N   LIG    1       -0.356  -1.446   1.982  0.00  0.00    -0.060 NA
BRANCH  10  12
ATOM     12  O   LIG    1        1.171   2.496   0.931  0.00  0.00    -0.494 OA
ATOM     13  C   LIG    1        1.855   3.627   0.403  0.00  0.00    +0.277 C 
ENDBRANCH  10  12
BRANCH   7  14
ATOM     14  C   LIG    1        5.205  -0.305  -0.005  0.00  0.00    +0.178 C 
BRANCH  14  15
ATOM     15  N   LIG    1        5.342  -0.033  -1.429  0.00  0.00    -0.267 N 
ATOM     16  N   LIG    1        5.714   1.195  -1.852  0.00  0.00    -0.179 NA
ATOM     17  C   LIG    1        5.754   1.071  -3.181  0.00  0.00    +0.134 A 
ATOM     18  C   LIG    1        5.417  -0.225  -3.611  0.00  0.00    +0.041 A 
ATOM     19  C   LIG    1        5.159  -0.921  -2.454  0.00  0.00    +0.108 A 
ENDBRANCH  14  15
ENDBRANCH   7  14
ENDBRANCH   1   3
BRANCH   1  20
ATOM     20  S   LIG    1       -2.790   0.486   2.166  0.00  0.00    +0.081 S 
ATOM     21  O   LIG    1       -3.501   1.740   1.996  0.00  0.00    -0.150 OA
ATOM     22  O   LIG    1       -2.938  -0.250   3.403  0.00  0.00    -0.150 OA
BRANCH  20  24
ATOM     23  C   LIG    1       -2.929  -0.054  -0.516  0.00  0.00    +0.150 A 
ATOM     24  C   LIG    1       -3.223  -0.521   0.776  0.00  0.00    +0.195 A 
ATOM     25  C   LIG    1       -3.854  -1.757   0.926  0.00  0.00    +0.192 A 
ATOM     26  C   LIG    1       -4.089  -2.548  -0.205  0.00  0.00    +0.161 A 
ATOM     27  C   LIG    1       -3.771  -2.106  -1.481  0.00  0.00    +0.053 A 
ATOM     28  C   LIG    1       -3.189  -0.851  -1.638  0.00  0.00    +0.051 A 
BRANCH  23  30
ATOM     29  C   LIG    1       -3.176   2.093  -1.340  0.00  0.00    +0.277 C 
ATOM     30  O   LIG    1       -2.308   1.156  -0.698  0.00  0.00    -0.493 OA
ENDBRANCH  23  30
BRANCH  25  31
ATOM     31  O   LIG    1       -4.224  -2.294   2.130  0.00  0.00    -0.490 OA
ATOM     32  C   LIG    1       -5.519  -1.821   2.517  0.00  0.00    +0.277 C 
ENDBRANCH  25  31
BRANCH  26  33
ATOM     33  O   LIG    1       -4.633  -3.797  -0.074  0.00  0.00    -0.503 OA
ATOM     34  H   LIG    1       -4.617  -3.990   0.884  0.00  0.00    +0.292 HD
ENDBRANCH  26  33
ENDBRANCH  20  24
ENDBRANCH   1  20
TORSDOF 9