REMARK  Name = BDB032952
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.578   0.584   0.647  0.00  0.00    +0.027 A 
ATOM      2  C   LIG    1       -1.094  -0.512  -0.091  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1        0.270  -0.888  -0.114  0.00  0.00    -0.031 A 
ATOM      4  C   LIG    1        1.164  -0.080   0.606  0.00  0.00    +0.041 A 
ATOM      5  C   LIG    1        0.708   1.032   1.327  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1       -0.648   1.365   1.333  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        2.625  -0.292   0.630  0.00  0.00    +0.249 C 
ATOM      8  N   LIG    1        3.268   0.249  -0.460  0.00  0.00    -0.276 N 
ATOM      9  H   LIG    1        2.731   0.736  -1.168  0.00  0.00    +0.156 HD
ATOM     10  O   LIG    1        3.124  -0.864   1.590  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1        4.625   0.169  -0.649  0.00  0.00    +0.074 A 
ATOM     12  S   LIG    1        5.173   0.914  -2.074  0.00  0.00    -0.051 S 
ATOM     13  C   LIG    1        6.787   0.489  -1.736  0.00  0.00    +0.146 A 
ATOM     14  C   LIG    1        6.908  -0.211  -0.556  0.00  0.00    +0.041 A 
ATOM     15  C   LIG    1        5.641  -0.399   0.080  0.00  0.00    +0.033 A 
BRANCH  13  16
ATOM     16  N   LIG    1        7.958   0.807  -2.575  0.00  0.00    -0.023 NA
ATOM     17  O   LIG    1        7.710   1.436  -3.609  0.00  0.00    -0.143 OA
ENDBRANCH  13  16
ENDBRANCH   8  11
ENDBRANCH   4   7
BRANCH   3  18
ATOM     18  C   LIG    1        0.632  -2.125  -0.925  0.00  0.00    +0.014 C 
ATOM     19  C   LIG    1        1.073  -1.758  -2.344  0.00  0.00    +0.012 C 
ATOM     20  C   LIG    1        1.630  -3.081  -0.268  0.00  0.00    +0.012 C 
ENDBRANCH   3  18
BRANCH   1  21
ATOM     21  N   LIG    1       -2.937   0.903   0.542  0.00  0.00    -0.344 N 
ATOM     22  H   LIG    1       -3.497   0.073   0.364  0.00  0.00    +0.146 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -3.542   1.814   1.510  0.00  0.00    +0.101 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -5.045   1.954   1.251  0.00  0.00    +0.018 C 
BRANCH  24  26
ATOM     25  C   LIG    1       -7.334   0.919   1.462  0.00  0.00    +0.004 C 
ATOM     26  C   LIG    1       -5.841   0.715   1.670  0.00  0.00    -0.002 C 
ENDBRANCH  24  26
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   1  21
TORSDOF 8