REMARK  Name = BDB008294
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.029   1.159   1.139  0.00  0.00    -0.287 N 
ATOM      2  C   LIG    1        0.953   0.893   0.286  0.00  0.00    +0.071 A 
ATOM      3  C   LIG    1        0.052   0.048   0.958  0.00  0.00    +0.079 A 
ATOM      4  C   LIG    1       -1.102  -0.361   0.316  0.00  0.00    +0.057 A 
ATOM      5  C   LIG    1       -1.329   0.097  -0.995  0.00  0.00    +0.107 A 
ATOM      6  C   LIG    1       -0.417   0.935  -1.657  0.00  0.00    +0.030 A 
ATOM      7  N   LIG    1        0.589  -0.200   2.243  0.00  0.00    -0.238 N 
ATOM      8  C   LIG    1        0.745   1.345  -1.006  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1        1.827   0.493   2.369  0.00  0.00    +0.337 A 
ATOM     10  O   LIG    1        2.598   0.551   3.314  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1        0.108  -0.952   3.293  0.00  0.00    +0.201 A 
ATOM     12  S   LIG    1       -1.359  -1.836   3.221  0.00  0.00    +0.052 S 
ATOM     13  N   LIG    1       -1.238  -2.421   4.776  0.00  0.00    -0.196 NA
ATOM     14  C   LIG    1       -0.101  -1.926   5.256  0.00  0.00    +0.233 A 
ATOM     15  N   LIG    1        0.681  -1.102   4.470  0.00  0.00    -0.209 NA
ENDBRANCH   7  11
BRANCH   5  16
ATOM     16  S   LIG    1       -2.808  -0.435  -1.828  0.00  0.00    +0.059 S 
ATOM     17  O   LIG    1       -2.829   0.163  -3.145  0.00  0.00    -0.153 OA
ATOM     18  O   LIG    1       -2.920  -1.861  -1.622  0.00  0.00    -0.153 OA
BRANCH  16  19
ATOM     19  N   LIG    1       -3.989   0.390  -0.923  0.00  0.00    -0.184 NA
ATOM     20  H   LIG    1       -4.206   1.261  -1.414  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -5.230  -0.375  -0.632  0.00  0.00    +0.037 C 
ATOM     22  C   LIG    1       -5.969  -0.021   0.640  0.00  0.00    +0.025 C 
ATOM     23  C   LIG    1       -5.263  -1.339   0.528  0.00  0.00    +0.025 C 
ATOM     24  C   LIG    1       -6.070  -0.686  -1.847  0.00  0.00    +0.029 C 
ENDBRANCH  19  21
ENDBRANCH  16  19
ENDBRANCH   5  16
BRANCH   1  25
ATOM     25  C   LIG    1        3.193   1.958   0.842  0.00  0.00    +0.171 C 
BRANCH  25  29
ATOM     26  C   LIG    1        6.305  -1.388  -1.886  0.00  0.00    +0.073 C 
ATOM     27  C   LIG    1        5.521  -0.219  -1.403  0.00  0.00    +0.076 A 
ATOM     28  S   LIG    1        4.652  -0.317   0.070  0.00  0.00    -0.075 S 
ATOM     29  C   LIG    1        4.092   1.294  -0.156  0.00  0.00    +0.032 A 
ATOM     30  C   LIG    1        4.642   1.812  -1.319  0.00  0.00    +0.051 A 
ATOM     31  C   LIG    1        4.467   3.186  -1.861  0.00  0.00    +0.066 C 
ATOM     32  N   LIG    1        5.439   0.932  -2.032  0.00  0.00    -0.249 NA
ENDBRANCH  25  29
ENDBRANCH   1  25
TORSDOF 6