REMARK  Name = BDB057656
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.727  -2.300  -0.723  0.00  0.00    +0.038 A 
ATOM      2  C   LIG    1       -2.045  -0.949  -0.923  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1       -3.312  -0.455  -0.580  0.00  0.00    +0.003 A 
ATOM      4  C   LIG    1       -4.240  -1.357  -0.034  0.00  0.00    +0.049 A 
ATOM      5  N   LIG    1       -5.498  -0.899   0.354  0.00  0.00    -0.322 N 
ATOM      6  H   LIG    1       -6.179  -1.536   0.744  0.00  0.00    +0.169 HD
ATOM      7  C   LIG    1       -5.897   0.400   0.256  0.00  0.00    +0.253 A 
ATOM      8  C   LIG    1       -4.921   1.381  -0.318  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1       -5.460   2.786  -0.337  0.00  0.00    +0.110 C 
ATOM     10  S   LIG    1       -4.186   4.059  -0.564  0.00  0.00    -0.156 S 
ATOM     11  C   LIG    1       -3.285   3.244  -1.898  0.00  0.00    +0.074 C 
ATOM     12  C   LIG    1       -2.722   1.906  -1.425  0.00  0.00    +0.047 C 
ATOM     13  O   LIG    1       -7.020   0.741   0.616  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1       -3.937  -2.712   0.138  0.00  0.00    +0.027 A 
ATOM     15  C   LIG    1       -3.708   0.968  -0.755  0.00  0.00    -0.028 A 
ATOM     16  C   LIG    1       -2.678  -3.188  -0.218  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  21
ATOM     17  N   LIG    1        3.285  -1.339   0.707  0.00  0.00    -0.297 NA
ATOM     18  C   LIG    1        2.017  -1.449   1.450  0.00  0.00    +0.103 C 
ATOM     19  C   LIG    1        0.740  -1.318   0.595  0.00  0.00    +0.123 C 
ATOM     20  N   LIG    1        0.736  -2.226  -0.560  0.00  0.00    -0.295 N 
ATOM     21  C   LIG    1       -0.395  -2.824  -1.101  0.00  0.00    +0.247 C 
ATOM     22  O   LIG    1       -0.356  -3.766  -1.887  0.00  0.00    -0.270 OA
ATOM     23  C   LIG    1        2.047  -2.693  -1.012  0.00  0.00    +0.123 C 
ATOM     24  C   LIG    1        3.153  -1.661  -0.724  0.00  0.00    +0.103 C 
BRANCH  17  25
ATOM     25  C   LIG    1        4.085  -0.143   1.034  0.00  0.00    +0.054 C 
ATOM     26  C   LIG    1        5.507  -0.279   0.472  0.00  0.00    +0.024 C 
BRANCH  25  27
ATOM     27  C   LIG    1        3.422   1.190   0.609  0.00  0.00    +0.018 C 
BRANCH  27  29
ATOM     28  C   LIG    1        4.330   2.618   2.526  0.00  0.00    +0.004 C 
ATOM     29  C   LIG    1        4.171   2.464   1.022  0.00  0.00    -0.002 C 
ENDBRANCH  27  29
ENDBRANCH  25  27
ENDBRANCH  17  25
ENDBRANCH   1  21
TORSDOF 4