REMARK  Name = BDB028623
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.304   0.386   0.951  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        0.867   0.082   0.208  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        1.255   1.302  -0.307  0.00  0.00    +0.173 A 
ATOM      4  C   LIG    1        2.374   1.503  -1.111  0.00  0.00    +0.055 A 
ATOM      5  C   LIG    1        3.139   0.364  -1.411  0.00  0.00    -0.019 A 
ATOM      6  C   LIG    1        2.758  -0.899  -0.907  0.00  0.00    +0.052 A 
ATOM      7  O   LIG    1        0.379   2.260   0.093  0.00  0.00    -0.353 OA
ATOM      8  C   LIG    1        1.629  -1.065  -0.084  0.00  0.00    +0.135 A 
ATOM      9  N   LIG    1       -0.605   1.686   0.879  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1       -1.039  -0.562   1.648  0.00  0.00    -0.196 N 
ATOM     11  H   LIG    1       -0.807  -1.543   1.502  0.00  0.00    +0.175 HD
BRANCH  10  12
ATOM     12  S   LIG    1       -2.570  -0.306   2.264  0.00  0.00    +0.081 S 
ATOM     13  O   LIG    1       -2.454   0.731   3.269  0.00  0.00    -0.150 OA
ATOM     14  O   LIG    1       -3.079  -1.617   2.625  0.00  0.00    -0.150 OA
BRANCH  12  16
ATOM     15  C   LIG    1       -3.477  -0.476  -0.320  0.00  0.00    +0.150 A 
ATOM     16  C   LIG    1       -3.527   0.248   0.881  0.00  0.00    +0.191 A 
ATOM     17  C   LIG    1       -4.342   1.380   0.961  0.00  0.00    +0.150 A 
ATOM     18  C   LIG    1       -5.082   1.793  -0.155  0.00  0.00    +0.048 A 
ATOM     19  C   LIG    1       -4.988   1.100  -1.360  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1       -4.182  -0.032  -1.445  0.00  0.00    +0.048 A 
BRANCH  15  22
ATOM     21  C   LIG    1       -3.498  -2.775  -0.521  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1       -2.693  -1.595  -0.440  0.00  0.00    -0.493 OA
ENDBRANCH  15  22
BRANCH  17  23
ATOM     23  O   LIG    1       -4.544   2.045   2.139  0.00  0.00    -0.493 OA
ATOM     24  C   LIG    1       -3.880   3.310   2.139  0.00  0.00    +0.277 C 
ENDBRANCH  17  23
ENDBRANCH  12  16
ENDBRANCH  10  12
ENDBRANCH   1  10
BRANCH   8  25
ATOM     25  O   LIG    1        1.201  -2.256   0.439  0.00  0.00    -0.494 OA
ATOM     26  C   LIG    1        2.130  -3.336   0.412  0.00  0.00    +0.277 C 
ENDBRANCH   8  25
BRANCH   5  27
ATOM     27  C   LIG    1        4.367   0.491  -2.287  0.00  0.00    +0.180 C 
BRANCH  27  28
ATOM     28  N   LIG    1        5.579   0.160  -1.560  0.00  0.00    -0.247 N 
ATOM     29  N   LIG    1        6.146  -1.053  -1.695  0.00  0.00    -0.065 NA
ATOM     30  N   LIG    1        7.228  -1.073  -0.928  0.00  0.00    -0.138 NA
ATOM     31  C   LIG    1        7.338   0.145  -0.319  0.00  0.00    +0.156 A 
ATOM     32  C   LIG    1        6.298   0.951  -0.713  0.00  0.00    +0.130 A 
ENDBRANCH  27  28
ENDBRANCH   5  27
TORSDOF 8