REMARK  Name = BDB000095
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.065   0.862   0.109  0.00  0.00    +0.084 A 
ATOM      2  N   LIG    1        1.990   0.046   0.098  0.00  0.00    -0.214 NA
ATOM      3  C   LIG    1        0.773   0.606   0.169  0.00  0.00    +0.220 A 
ATOM      4  N   LIG    1        0.582   1.930   0.239  0.00  0.00    -0.223 NA
ATOM      5  C   LIG    1        1.672   2.716   0.242  0.00  0.00    +0.116 A 
ATOM      6  C   LIG    1        2.952   2.232   0.178  0.00  0.00    +0.049 A 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1        8.114  -0.661   0.607  0.00  0.00    +0.073 C 
ATOM      8  C   LIG    1        6.672  -0.548   0.259  0.00  0.00    +0.076 A 
ATOM      9  S   LIG    1        5.755   0.786   0.817  0.00  0.00    -0.071 S 
ATOM     10  C   LIG    1        4.354   0.164   0.028  0.00  0.00    +0.060 A 
ATOM     11  C   LIG    1        4.688  -1.030  -0.603  0.00  0.00    +0.055 A 
ATOM     12  C   LIG    1        3.789  -1.909  -1.398  0.00  0.00    +0.067 C 
ATOM     13  N   LIG    1        6.015  -1.419  -0.471  0.00  0.00    -0.249 NA
ENDBRANCH   1  10
BRANCH   3  14
ATOM     14  N   LIG    1       -0.286  -0.296   0.162  0.00  0.00    -0.284 N 
ATOM     15  H   LIG    1        0.084  -1.234   0.127  0.00  0.00    +0.155 HD
BRANCH  14  16
ATOM     16  C   LIG    1       -1.675  -0.168   0.231  0.00  0.00    +0.034 A 
ATOM     17  C   LIG    1       -2.348   1.046   0.318  0.00  0.00    +0.025 A 
ATOM     18  C   LIG    1       -3.753   1.103   0.377  0.00  0.00    +0.025 A 
ATOM     19  C   LIG    1       -4.558  -0.046   0.339  0.00  0.00    +0.029 A 
ATOM     20  C   LIG    1       -3.864  -1.262   0.266  0.00  0.00    +0.025 A 
ATOM     21  C   LIG    1       -2.461  -1.324   0.207  0.00  0.00    +0.025 A 
BRANCH  19  22
ATOM     22  N   LIG    1       -5.955   0.014   0.414  0.00  0.00    -0.336 N 
ATOM     23  C   LIG    1       -6.732  -1.160   0.021  0.00  0.00    +0.129 C 
ATOM     24  C   LIG    1       -6.619   1.302   0.223  0.00  0.00    +0.129 C 
ENDBRANCH  19  22
ENDBRANCH  14  16
ENDBRANCH   3  14
TORSDOF 4