REMARK  Name = BDB032896
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.623   1.155   0.975  0.00  0.00    +0.251 C 
ATOM      2  N   LIG    1        1.174   0.050   0.378  0.00  0.00    -0.261 N 
ATOM      3  H   LIG    1        0.536  -0.571  -0.116  0.00  0.00    +0.157 HD
ATOM      4  O   LIG    1        1.235   2.009   1.609  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   6
ATOM      5  C   LIG    1       -1.699   0.391   0.111  0.00  0.00    +0.041 A 
ATOM      6  C   LIG    1       -0.871   1.301   0.817  0.00  0.00    +0.058 A 
ATOM      7  C   LIG    1       -1.451   2.432   1.425  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1       -2.823   2.672   1.345  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -3.638   1.784   0.656  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -3.083   0.658   0.047  0.00  0.00    +0.024 A 
BRANCH   5  12
ATOM     11  C   LIG    1       -1.327  -0.719  -1.984  0.00  0.00    +0.129 C 
ATOM     12  N   LIG    1       -1.157  -0.767  -0.520  0.00  0.00    -0.335 N 
ATOM     13  C   LIG    1       -1.673  -2.008   0.085  0.00  0.00    +0.129 C 
ENDBRANCH   5  12
ENDBRANCH   1   6
BRANCH   2  14
ATOM     14  C   LIG    1        2.485  -0.341   0.353  0.00  0.00    +0.167 A 
ATOM     15  S   LIG    1        3.729   0.546   1.113  0.00  0.00    -0.030 S 
ATOM     16  C   LIG    1        4.858  -0.607   0.583  0.00  0.00    +0.166 A 
ATOM     17  C   LIG    1        4.226  -1.594  -0.138  0.00  0.00    +0.152 A 
ATOM     18  N   LIG    1        2.855  -1.439  -0.270  0.00  0.00    -0.231 NA
BRANCH  16  19
ATOM     19  N   LIG    1        6.295  -0.520   0.877  0.00  0.00    -0.022 NA
ATOM     20  O   LIG    1        6.976  -1.443   0.416  0.00  0.00    -0.143 OA
ENDBRANCH  16  19
ENDBRANCH   2  14
TORSDOF 4