REMARK  Name = BDB002414
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.127  -0.589  -0.248  0.00  0.00    +0.216 C 
ATOM      2  N   LIG    1        0.765  -0.548  -0.491  0.00  0.00    -0.299 N 
ATOM      3  C   LIG    1        0.010   0.658  -0.841  0.00  0.00    +0.123 C 
ATOM      4  C   LIG    1       -1.494   0.502  -0.541  0.00  0.00    +0.103 C 
ATOM      5  N   LIG    1       -2.134  -0.630  -1.245  0.00  0.00    -0.296 NA
ATOM      6  C   LIG    1       -1.189  -1.750  -1.462  0.00  0.00    +0.103 C 
ATOM      7  C   LIG    1        0.005  -1.800  -0.492  0.00  0.00    +0.123 C 
ATOM      8  O   LIG    1        2.703  -1.628   0.077  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   1   9
ATOM      9  C   LIG    1        2.882   0.729  -0.351  0.00  0.00    +0.105 C 
BRANCH   9  10
ATOM     10  C   LIG    1        4.397   0.512  -0.342  0.00  0.00    +0.105 C 
BRANCH  10  13
ATOM     11  N   LIG    1        6.166  -0.472  -1.845  0.00  0.00    -0.263 N 
ATOM     12  H   LIG    1        6.322  -0.864  -2.766  0.00  0.00    +0.157 HD
ATOM     13  C   LIG    1        4.890  -0.046  -1.661  0.00  0.00    +0.219 C 
ATOM     14  O   LIG    1        4.135  -0.107  -2.639  0.00  0.00    -0.275 OA
BRANCH  11  17
ATOM     15  C   LIG    1        9.047  -0.295   0.521  0.00  0.00    +0.103 A 
ATOM     16  S   LIG    1        7.402   0.194   0.490  0.00  0.00    -0.035 S 
ATOM     17  C   LIG    1        7.291  -0.480  -1.067  0.00  0.00    +0.188 A 
ATOM     18  N   LIG    1        8.420  -0.995  -1.504  0.00  0.00    -0.126 NA
ATOM     19  N   LIG    1        9.441  -0.894  -0.582  0.00  0.00    -0.145 NA
BRANCH  15  21
ATOM     20  C   LIG    1        9.940  -1.234   2.648  0.00  0.00    +0.011 C 
ATOM     21  C   LIG    1        9.915  -0.040   1.708  0.00  0.00    +0.061 C 
ENDBRANCH  15  21
ENDBRANCH  11  17
ENDBRANCH  10  13
ENDBRANCH   9  10
ENDBRANCH   1   9
BRANCH   5  22
ATOM     22  C   LIG    1       -3.357  -1.086  -0.561  0.00  0.00    +0.125 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.474  -0.031  -0.491  0.00  0.00    +0.244 C 
BRANCH  23  24
ATOM     24  O   LIG    1       -5.606  -0.629   0.148  0.00  0.00    -0.491 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -6.712   0.158   0.316  0.00  0.00    +0.121 A 
ATOM     26  C   LIG    1       -7.771  -0.458   0.986  0.00  0.00    +0.046 A 
ATOM     27  C   LIG    1       -8.962   0.231   1.226  0.00  0.00    +0.007 A 
ATOM     28  C   LIG    1       -9.107   1.556   0.805  0.00  0.00    -0.050 A 
ATOM     29  C   LIG    1      -10.396   2.289   1.028  0.00  0.00    +0.044 C 
ATOM     30  C   LIG    1       -8.052   2.167   0.119  0.00  0.00    +0.007 A 
ATOM     31  C   LIG    1       -6.859   1.474  -0.120  0.00  0.00    +0.046 A 
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   5  22
TORSDOF 9