REMARK  Name = BDB063080
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.439   1.558  -0.030  0.00  0.00    +0.036 A 
ATOM      2  C   LIG    1       -0.534   0.688   0.480  0.00  0.00    +0.048 A 
ATOM      3  C   LIG    1       -1.844   1.165   1.091  0.00  0.00    +0.103 C 
ATOM      4  C   LIG    1       -2.529   0.063   1.843  0.00  0.00    +0.089 A 
ATOM      5  C   LIG    1       -3.609   0.383   2.798  0.00  0.00    +0.262 A 
ATOM      6  O   LIG    1       -3.892   1.538   3.093  0.00  0.00    -0.267 OA
ATOM      7  N   LIG    1       -4.254  -0.688   3.353  0.00  0.00    -0.275 N 
ATOM      8  H   LIG    1       -4.990  -0.497   4.015  0.00  0.00    +0.173 HD
ATOM      9  C   LIG    1       -3.874  -1.993   3.212  0.00  0.00    +0.329 A 
ATOM     10  O   LIG    1       -4.431  -2.904   3.813  0.00  0.00    -0.247 OA
ATOM     11  N   LIG    1       -2.824  -2.210   2.369  0.00  0.00    -0.278 N 
ATOM     12  H   LIG    1       -2.525  -3.170   2.243  0.00  0.00    +0.173 HD
ATOM     13  C   LIG    1       -2.173  -1.217   1.702  0.00  0.00    +0.214 A 
ATOM     14  O   LIG    1       -1.142  -1.634   0.893  0.00  0.00    -0.421 OA
ATOM     15  C   LIG    1       -0.272  -0.682   0.405  0.00  0.00    +0.229 A 
ATOM     16  N   LIG    1        0.857  -1.210  -0.113  0.00  0.00    -0.212 NA
ATOM     17  C   LIG    1        1.812  -0.364  -0.558  0.00  0.00    +0.077 A 
ATOM     18  C   LIG    1        1.641   1.016  -0.497  0.00  0.00    +0.051 A 
ENDROOT
BRANCH  17  19
ATOM     19  C   LIG    1        3.039  -1.005  -1.080  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        3.803  -0.429  -2.114  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1        4.962  -1.049  -2.599  0.00  0.00    +0.033 A 
ATOM     22  C   LIG    1        5.374  -2.269  -2.054  0.00  0.00    +0.126 A 
ATOM     23  C   LIG    1        4.634  -2.871  -1.033  0.00  0.00    +0.033 A 
ATOM     24  C   LIG    1        3.478  -2.240  -0.559  0.00  0.00    +0.012 A 
BRANCH  22  25
ATOM     25  N   LIG    1        6.588  -2.922  -2.559  0.00  0.00    +0.056 N 
ATOM     26  O   LIG    1        6.918  -4.002  -2.050  0.00  0.00    -0.126 OA
ATOM     27  O   LIG    1        7.213  -2.352  -3.466  0.00  0.00    -0.126 OA
ENDBRANCH  22  25
ENDBRANCH  17  19
BRANCH   3  28
ATOM     28  C   LIG    1       -2.757   1.832   0.065  0.00  0.00    +0.002 A 
ATOM     29  S   LIG    1       -3.165   1.058  -1.415  0.00  0.00    -0.101 S 
ATOM     30  C   LIG    1       -4.136   2.372  -1.913  0.00  0.00    +0.045 A 
ATOM     31  C   LIG    1       -4.174   3.374  -0.972  0.00  0.00    +0.008 A 
ATOM     32  C   LIG    1       -3.385   3.061   0.172  0.00  0.00    +0.012 A 
ENDBRANCH   3  28
BRANCH   1  33
ATOM     33  N   LIG    1        0.347   2.953   0.117  0.00  0.00    -0.358 N 
ATOM     34  H   LIG    1        0.958   3.477  -0.505  0.00  0.00    +0.142 HD
ATOM     35  H   LIG    1       -0.599   3.323   0.077  0.00  0.00    +0.142 HD
ENDBRANCH   1  33
TORSDOF 4