REMARK  Name = BDB059329
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.209  -0.735  -0.293  0.00  0.00    +0.259 C 
ATOM      2  N   LIG    1        1.313  -0.001  -0.686  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        1.355   1.011  -0.579  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        0.247  -1.957  -0.168  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -3.473   0.058  -0.096  0.00  0.00    +0.122 A 
ATOM      6  C   LIG    1       -2.262  -0.606  -0.311  0.00  0.00    +0.058 A 
ATOM      7  C   LIG    1       -1.041   0.024  -0.039  0.00  0.00    +0.041 A 
ATOM      8  C   LIG    1       -1.032   1.321   0.485  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -2.240   1.983   0.708  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1       -3.455   1.355   0.415  0.00  0.00    +0.046 A 
BRANCH   5  11
ATOM     11  O   LIG    1       -4.580  -0.675  -0.413  0.00  0.00    -0.489 OA
BRANCH  11  13
ATOM     12  C   LIG    1       -6.439  -0.230   1.075  0.00  0.00    +0.051 C 
ATOM     13  C   LIG    1       -5.875  -0.070  -0.334  0.00  0.00    +0.167 C 
ATOM     14  C   LIG    1       -6.763  -0.804  -1.337  0.00  0.00    +0.051 C 
ENDBRANCH  11  13
ENDBRANCH   5  11
ENDBRANCH   1   7
BRANCH   2  15
ATOM     15  N   LIG    1        2.668  -0.716  -0.562  0.00  0.00    -0.108 NA
ATOM     16  H   LIG    1        2.513  -1.714  -0.341  0.00  0.00    +0.172 HD
BRANCH  15  17
ATOM     17  S   LIG    1        3.676  -0.044   0.649  0.00  0.00    +0.074 S 
ATOM     18  O   LIG    1        3.697  -0.976   1.754  0.00  0.00    -0.152 OA
ATOM     19  O   LIG    1        3.272   1.338   0.822  0.00  0.00    -0.152 OA
BRANCH  17  20
ATOM     20  C   LIG    1        5.252  -0.073  -0.160  0.00  0.00    +0.107 A 
ATOM     21  C   LIG    1        6.161  -1.096   0.126  0.00  0.00    +0.028 A 
ATOM     22  C   LIG    1        7.408  -1.098  -0.500  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1        7.743  -0.081  -1.396  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        6.835   0.944  -1.668  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1        5.586   0.954  -1.047  0.00  0.00    +0.028 A 
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   2  15
TORSDOF 6