REMARK  Name = BDB001962
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.011  -0.090   1.339  0.00  0.00    +0.168 C 
ENDROOT
BRANCH   1   4
ATOM      2  C   LIG    1        3.074   0.943  -0.113  0.00  0.00    +0.361 A 
ATOM      3  O   LIG    1        1.921   0.187  -0.151  0.00  0.00    -0.405 OA
ATOM      4  C   LIG    1        1.304   0.547   1.020  0.00  0.00    +0.239 A 
ATOM      5  N   LIG    1        2.005   1.416   1.717  0.00  0.00    -0.109 NA
ATOM      6  N   LIG    1        3.146   1.674   0.988  0.00  0.00    -0.090 NA
BRANCH   2   7
ATOM      7  S   LIG    1        4.312   0.926  -1.383  0.00  0.00    +0.060 S 
ATOM      8  O   LIG    1        4.932  -0.379  -1.258  0.00  0.00    -0.164 OA
ATOM      9  O   LIG    1        3.605   1.354  -2.575  0.00  0.00    -0.164 OA
BRANCH   7  10
ATOM     10  C   LIG    1        5.416   2.188  -0.838  0.00  0.00    +0.297 C 
BRANCH  10  11
ATOM     11  C   LIG    1        6.535   2.335  -1.808  0.00  0.00    +0.329 C 
ATOM     12  O   LIG    1        6.729   1.678  -2.817  0.00  0.00    -0.249 OA
BRANCH  11  14
ATOM     13  C   LIG    1        8.474   3.592  -2.232  0.00  0.00    +0.280 C 
ATOM     14  O   LIG    1        7.350   3.349  -1.382  0.00  0.00    -0.467 OA
ENDBRANCH  11  14
ENDBRANCH  10  11
ENDBRANCH   7  10
ENDBRANCH   2   7
ENDBRANCH   1   4
BRANCH   1  15
ATOM     15  N   LIG    1       -0.858  -0.029   0.158  0.00  0.00    -0.269 N 
ATOM     16  H   LIG    1       -0.544  -0.430  -0.715  0.00  0.00    +0.153 HD
ATOM     17  C   LIG    1       -2.186   0.249   0.236  0.00  0.00    +0.401 C 
ATOM     18  O   LIG    1       -2.757   0.662   1.231  0.00  0.00    -0.226 OA
BRANCH  17  19
ATOM     19  O   LIG    1       -2.751  -0.014  -0.963  0.00  0.00    -0.445 OA
BRANCH  19  20
ATOM     20  C   LIG    1       -4.182   0.131  -1.150  0.00  0.00    +0.107 C 
ATOM     21  C   LIG    1       -4.960  -0.829  -0.242  0.00  0.00    +0.055 C 
ATOM     22  C   LIG    1       -4.627   1.585  -0.963  0.00  0.00    +0.055 C 
ATOM     23  C   LIG    1       -4.426  -0.272  -2.613  0.00  0.00    +0.055 C 
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   1  15
BRANCH   1  24
ATOM     24  C   LIG    1        0.215  -1.540   1.817  0.00  0.00    +0.067 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -1.048  -2.275   2.200  0.00  0.00    -0.045 A 
ATOM     26  C   LIG    1       -1.546  -3.303   1.388  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -2.724  -3.970   1.731  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -3.414  -3.615   2.888  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -2.928  -2.595   3.703  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -1.749  -1.929   3.364  0.00  0.00    +0.004 A 
ENDBRANCH  24  25
ENDBRANCH   1  24
TORSDOF 10