REMARK  Name = BDB023361
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.327  -0.659  -0.060  0.00  0.00    +0.298 C 
ATOM      2  N   LIG    1        0.314   0.459  -0.603  0.00  0.00    -0.179 N 
ATOM      3  H   LIG    1       -0.243   1.232  -0.958  0.00  0.00    +0.177 HD
ATOM      4  O   LIG    1        0.271  -1.625   0.389  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   1  11
ATOM      5  C   LIG    1       -7.014   2.203  -0.871  0.00  0.00    +0.044 C 
ATOM      6  C   LIG    1       -5.955   1.194  -0.528  0.00  0.00    -0.047 A 
ATOM      7  C   LIG    1       -4.604   1.501  -0.737  0.00  0.00    +0.050 A 
ATOM      8  C   LIG    1       -3.676   0.530  -0.369  0.00  0.00    +0.136 A 
ATOM      9  C   LIG    1       -4.002  -0.698   0.192  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1       -2.760  -1.359   0.402  0.00  0.00    +0.063 A 
ATOM     11  C   LIG    1       -1.764  -0.507  -0.037  0.00  0.00    +0.192 A 
ATOM     12  C   LIG    1       -5.361  -1.007   0.419  0.00  0.00    -0.039 A 
ATOM     13  C   LIG    1       -5.839  -2.298   1.024  0.00  0.00    +0.044 C 
ATOM     14  O   LIG    1       -2.327   0.652  -0.507  0.00  0.00    -0.450 OA
ATOM     15  C   LIG    1       -6.317  -0.033   0.051  0.00  0.00    +0.007 A 
ENDBRANCH   1  11
BRANCH   2  16
ATOM     16  S   LIG    1        1.878   0.452  -1.167  0.00  0.00    +0.077 S 
ATOM     17  O   LIG    1        2.020   1.747  -1.802  0.00  0.00    -0.150 OA
ATOM     18  O   LIG    1        2.034  -0.782  -1.905  0.00  0.00    -0.150 OA
BRANCH  16  19
ATOM     19  C   LIG    1        2.899   0.464   0.276  0.00  0.00    +0.134 A 
ATOM     20  C   LIG    1        4.250   0.148   0.117  0.00  0.00    +0.098 A 
ATOM     21  C   LIG    1        5.047   0.141   1.284  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        6.406  -0.177   1.166  0.00  0.00    +0.012 A 
ATOM     23  C   LIG    1        6.948  -0.469  -0.078  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1        6.115  -0.430  -1.182  0.00  0.00    +0.039 A 
ATOM     25  C   LIG    1        6.649  -0.735  -2.548  0.00  0.00    +0.065 C 
ATOM     26  C   LIG    1        4.497   0.453   2.539  0.00  0.00    +0.010 A 
ATOM     27  C   LIG    1        3.153   0.787   2.659  0.00  0.00    +0.003 A 
ATOM     28  N   LIG    1        4.800  -0.123  -1.087  0.00  0.00    -0.250 NA
ATOM     29  C   LIG    1        2.350   0.799   1.526  0.00  0.00    +0.031 A 
ENDBRANCH  16  19
ENDBRANCH   2  16
TORSDOF 3