REMARK  Name = BDB001681
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.697  -0.292   2.089  0.00  0.00    +0.233 C 
ATOM      2  N   LIG    1       -1.314  -0.189   0.865  0.00  0.00    -0.264 N 
ATOM      3  H   LIG    1       -0.740   0.143   0.097  0.00  0.00    +0.157 HD
ATOM      4  O   LIG    1       -1.186  -0.684   3.144  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -2.597  -0.520   0.533  0.00  0.00    +0.165 A 
ATOM      6  S   LIG    1       -3.724  -1.107   1.665  0.00  0.00    -0.060 S 
ATOM      7  C   LIG    1       -4.902  -1.213   0.426  0.00  0.00    +0.071 A 
ATOM      8  C   LIG    1       -4.360  -0.792  -0.774  0.00  0.00    +0.047 A 
ATOM      9  C   LIG    1       -5.047  -0.730  -2.088  0.00  0.00    +0.066 C 
ATOM     10  N   LIG    1       -3.033  -0.398  -0.700  0.00  0.00    -0.230 NA
ENDBRANCH   2   5
BRANCH   1  11
ATOM     11  C   LIG    1        0.755   0.208   2.039  0.00  0.00    +0.178 C 
BRANCH  11  12
ATOM     12  N   LIG    1        1.310   0.072   0.670  0.00  0.00    -0.306 NA
ATOM     13  H   LIG    1        1.405  -0.927   0.469  0.00  0.00    +0.122 HD
BRANCH  12  14
ATOM     14  C   LIG    1        2.646   0.683   0.611  0.00  0.00    +0.109 C 
BRANCH  14  15
ATOM     15  C   LIG    1        3.258   0.568  -0.791  0.00  0.00    +0.174 C 
BRANCH  15  17
ATOM     16  C   LIG    1        5.184   1.081  -2.048  0.00  0.00    +0.194 C 
ATOM     17  O   LIG    1        4.569   1.133  -0.767  0.00  0.00    -0.382 OA
ENDBRANCH  15  17
ENDBRANCH  14  15
ENDBRANCH  12  14
ENDBRANCH  11  12
ENDBRANCH   1  11
TORSDOF 6