REMARK  Name = BDB063081
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.816   0.383   0.161  0.00  0.00    +0.239 C 
ATOM      2  O   LIG    1        0.272   1.421  -0.604  0.00  0.00    -0.420 OA
ATOM      3  C   LIG    1       -1.052   1.762  -0.430  0.00  0.00    +0.214 A 
ATOM      4  N   LIG    1       -1.450   2.909  -1.046  0.00  0.00    -0.278 N 
ATOM      5  H   LIG    1       -0.782   3.450  -1.581  0.00  0.00    +0.173 HD
ATOM      6  C   LIG    1       -2.724   3.396  -0.982  0.00  0.00    +0.329 A 
ATOM      7  N   LIG    1       -3.603   2.646  -0.254  0.00  0.00    -0.275 N 
ATOM      8  H   LIG    1       -4.532   3.021  -0.137  0.00  0.00    +0.173 HD
ATOM      9  C   LIG    1       -3.272   1.544   0.486  0.00  0.00    +0.262 A 
ATOM     10  O   LIG    1       -4.052   1.028   1.277  0.00  0.00    -0.267 OA
ATOM     11  O   LIG    1       -3.050   4.443  -1.529  0.00  0.00    -0.247 OA
ATOM     12  C   LIG    1       -1.899   1.033   0.302  0.00  0.00    +0.090 A 
ATOM     13  C   LIG    1       -1.478  -0.250   0.964  0.00  0.00    +0.112 C 
ATOM     14  C   LIG    1        0.037  -0.406   0.933  0.00  0.00    +0.104 C 
ENDROOT
BRANCH  13  15
ATOM     15  C   LIG    1       -2.210  -1.472   0.418  0.00  0.00    +0.003 A 
ATOM     16  S   LIG    1       -1.993  -1.982  -1.210  0.00  0.00    -0.101 S 
ATOM     17  C   LIG    1       -3.067  -3.295  -1.010  0.00  0.00    +0.045 A 
ATOM     18  C   LIG    1       -3.589  -3.348   0.262  0.00  0.00    +0.008 A 
ATOM     19  C   LIG    1       -3.097  -2.296   1.086  0.00  0.00    +0.012 A 
ENDBRANCH  13  15
BRANCH   1  21
ATOM     20  C   LIG    1        2.743   0.317  -1.005  0.00  0.00    +0.304 C 
ATOM     21  N   LIG    1        2.181   0.232   0.150  0.00  0.00    -0.184 NA
BRANCH  20  22
ATOM     22  O   LIG    1        4.077   0.190  -1.196  0.00  0.00    -0.482 OA
BRANCH  22  24
ATOM     23  C   LIG    1        6.316  -0.194  -0.450  0.00  0.00    +0.048 C 
ATOM     24  C   LIG    1        4.866  -0.073  -0.024  0.00  0.00    +0.227 C 
ENDBRANCH  22  24
ENDBRANCH  20  22
ENDBRANCH   1  21
BRANCH  14  25
ATOM     25  C   LIG    1        0.612  -1.414   1.762  0.00  0.00    +0.101 C 
ATOM     26  N   LIG    1        1.037  -2.237   2.461  0.00  0.00    -0.191 NA
ENDBRANCH  14  25
TORSDOF 5