REMARK  Name = BDB031646
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.147   2.081   1.315  0.00  0.00    -0.214 N 
ATOM      2  H   LIG    1        0.518   2.122   2.087  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -1.017   0.955   1.255  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1       -2.222   0.932   0.540  0.00  0.00    +0.071 A 
ATOM      5  C   LIG    1       -3.062  -0.189   0.500  0.00  0.00    +0.022 A 
ATOM      6  C   LIG    1       -4.180   0.170  -0.319  0.00  0.00    +0.077 A 
ATOM      7  C   LIG    1       -4.000   1.467  -0.746  0.00  0.00    +0.102 A 
ATOM      8  C   LIG    1       -2.683  -1.359   1.211  0.00  0.00    -0.040 A 
ATOM      9  C   LIG    1       -3.511  -2.618   1.230  0.00  0.00    +0.044 C 
ATOM     10  C   LIG    1       -1.477  -1.329   1.938  0.00  0.00    +0.006 A 
ATOM     11  N   LIG    1       -2.825   1.919  -0.214  0.00  0.00    -0.358 N 
ATOM     12  H   LIG    1       -2.406   2.829  -0.387  0.00  0.00    +0.165 HD
ATOM     13  C   LIG    1       -0.666  -0.196   1.963  0.00  0.00    +0.027 A 
BRANCH   6  14
ATOM     14  C   LIG    1       -5.307  -0.640  -0.666  0.00  0.00    +0.101 C 
ATOM     15  N   LIG    1       -6.218  -1.302  -0.949  0.00  0.00    -0.191 NA
ENDBRANCH   6  14
ENDBRANCH   1   3
BRANCH   1  16
ATOM     16  S   LIG    1        0.499   2.745  -0.093  0.00  0.00    +0.072 S 
ATOM     17  O   LIG    1        1.617   3.564   0.323  0.00  0.00    -0.150 OA
ATOM     18  O   LIG    1       -0.581   3.302  -0.883  0.00  0.00    -0.150 OA
BRANCH  16  21
ATOM     19  C   LIG    1        2.925  -0.298  -1.214  0.00  0.00    +0.061 A 
ATOM     20  C   LIG    1        2.395   0.813  -0.546  0.00  0.00    +0.043 A 
ATOM     21  C   LIG    1        1.159   1.333  -0.947  0.00  0.00    +0.109 A 
ATOM     22  C   LIG    1        0.461   0.779  -2.024  0.00  0.00    +0.029 A 
ATOM     23  C   LIG    1        0.991  -0.325  -2.689  0.00  0.00    +0.003 A 
ATOM     24  C   LIG    1        2.216  -0.863  -2.285  0.00  0.00    +0.015 A 
BRANCH  19  25
ATOM     25  C   LIG    1        4.226  -0.912  -0.833  0.00  0.00    +0.339 C 
ATOM     26  O   LIG    1        4.730  -1.850  -1.430  0.00  0.00    -0.245 OA
BRANCH  25  28
ATOM     27  C   LIG    1        6.002  -0.823   0.681  0.00  0.00    +0.280 C 
ATOM     28  O   LIG    1        4.744  -0.294   0.258  0.00  0.00    -0.464 OA
ENDBRANCH  25  28
ENDBRANCH  19  25
ENDBRANCH  16  21
ENDBRANCH   1  16
TORSDOF 6