REMARK  Name = BDB008105
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.092  -1.824   1.259  0.00  0.00    -0.252 OA
ATOM      2  C   LIG    1       -0.928  -0.618   1.377  0.00  0.00    +0.306 C 
ATOM      3  N   LIG    1        0.207   0.097   1.093  0.00  0.00    -0.248 N 
ATOM      4  H   LIG    1        0.288   1.032   1.454  0.00  0.00    +0.158 HD
ATOM      5  N   LIG    1       -1.920   0.216   1.862  0.00  0.00    -0.295 N 
ATOM      6  H   LIG    1       -1.890   1.171   1.540  0.00  0.00    +0.151 HD
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        1.368  -0.379   0.542  0.00  0.00    +0.166 A 
ATOM      8  S   LIG    1        1.509  -1.935  -0.130  0.00  0.00    -0.060 S 
ATOM      9  C   LIG    1        3.141  -1.603  -0.537  0.00  0.00    +0.076 A 
ATOM     10  C   LIG    1        3.471  -0.317  -0.153  0.00  0.00    +0.080 A 
ATOM     11  N   LIG    1        2.439   0.376   0.469  0.00  0.00    -0.225 NA
BRANCH  10  12
ATOM     12  C   LIG    1        4.779   0.304  -0.346  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1        5.099   1.463   0.368  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        6.341   2.045   0.177  0.00  0.00    +0.111 A 
ATOM     15  N   LIG    1        7.274   1.559  -0.667  0.00  0.00    -0.263 NA
ATOM     16  C   LIG    1        6.947   0.445  -1.353  0.00  0.00    +0.111 A 
ATOM     17  C   LIG    1        5.731  -0.210  -1.230  0.00  0.00    +0.030 A 
ENDBRANCH  10  12
ENDBRANCH   3   7
BRANCH   5  18
ATOM     18  C   LIG    1       -3.241  -0.298   2.156  0.00  0.00    +0.141 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -4.161  -0.132   0.973  0.00  0.00    -0.027 A 
ATOM     20  C   LIG    1       -4.132  -1.061  -0.079  0.00  0.00    +0.050 A 
ATOM     21  C   LIG    1       -4.963  -0.887  -1.182  0.00  0.00    +0.117 A 
ATOM     22  C   LIG    1       -5.825   0.198  -1.261  0.00  0.00    +0.045 A 
ATOM     23  C   LIG    1       -5.858   1.130  -0.224  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1       -5.027   0.968   0.886  0.00  0.00    +0.005 A 
BRANCH  21  25
ATOM     25  O   LIG    1       -4.954  -1.772  -2.220  0.00  0.00    -0.507 OA
ATOM     26  H   LIG    1       -4.295  -2.460  -2.029  0.00  0.00    +0.292 HD
ENDBRANCH  21  25
ENDBRANCH  18  19
ENDBRANCH   5  18
TORSDOF 5