REMARK  Name = BDB003014
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.321  -0.883  -1.201  0.00  0.00    -0.255 N 
ATOM      2  C   LIG    1       -1.358  -0.512  -2.557  0.00  0.00    +0.273 A 
ATOM      3  O   LIG    1       -2.283  -0.731  -3.338  0.00  0.00    -0.266 OA
ATOM      4  C   LIG    1       -0.168   0.237  -3.008  0.00  0.00    +0.094 A 
ATOM      5  S   LIG    1        0.024   0.927  -4.567  0.00  0.00    -0.118 S 
ATOM      6  C   LIG    1        1.771   1.350  -4.235  0.00  0.00    +0.081 C 
ATOM      7  C   LIG    1        1.960   1.269  -2.717  0.00  0.00    +0.068 C 
ATOM      8  C   LIG    1        0.834   0.448  -2.160  0.00  0.00    +0.064 A 
ATOM      9  N   LIG    1        0.888  -0.018  -0.880  0.00  0.00    -0.227 NA
ATOM     10  C   LIG    1       -0.159  -0.655  -0.446  0.00  0.00    +0.177 A 
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1       -4.870  -2.621   0.398  0.00  0.00    +0.120 A 
ATOM     12  C   LIG    1       -4.297  -3.121  -0.771  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1       -3.134  -2.552  -1.300  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1       -2.509  -1.477  -0.654  0.00  0.00    +0.052 A 
ATOM     15  C   LIG    1       -3.104  -0.964   0.508  0.00  0.00    +0.030 A 
ATOM     16  C   LIG    1       -4.271  -1.535   1.034  0.00  0.00    +0.047 A 
BRANCH  11  18
ATOM     17  C   LIG    1       -6.646  -2.770   1.970  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1       -6.002  -3.270   0.805  0.00  0.00    -0.495 OA
ENDBRANCH  11  18
ENDBRANCH   1  14
BRANCH  10  19
ATOM     19  S   LIG    1       -0.032  -1.328   1.180  0.00  0.00    -0.078 S 
BRANCH  19  20
ATOM     20  C   LIG    1        1.749  -1.624   1.328  0.00  0.00    +0.173 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.453  -0.442   1.977  0.00  0.00    +0.229 C 
ATOM     22  N   LIG    1        2.680   0.601   1.111  0.00  0.00    -0.267 N 
ATOM     23  H   LIG    1        2.258   0.575   0.186  0.00  0.00    +0.156 HD
ATOM     24  O   LIG    1        2.792  -0.472   3.158  0.00  0.00    -0.275 OA
BRANCH  22  25
ATOM     25  C   LIG    1        3.329   1.775   1.411  0.00  0.00    +0.168 A 
ATOM     26  N   LIG    1        3.426   2.733   0.482  0.00  0.00    -0.063 NA
ATOM     27  O   LIG    1        4.128   3.768   1.072  0.00  0.00    -0.358 OA
ATOM     28  C   LIG    1        4.445   3.427   2.349  0.00  0.00    +0.136 A 
ATOM     29  C   LIG    1        5.196   4.424   3.129  0.00  0.00    +0.089 C 
ATOM     30  C   LIG    1        3.962   2.169   2.610  0.00  0.00    +0.091 A 
ENDBRANCH  22  25
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  10  19
TORSDOF 6