REMARK  Name = BDB020927
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.167  -1.267  -1.072  0.00  0.00    +0.216 C 
ATOM      2  N   LIG    1        1.230  -0.480  -0.639  0.00  0.00    -0.298 N 
ATOM      3  C   LIG    1        1.964   0.289  -1.650  0.00  0.00    +0.126 C 
ATOM      4  C   LIG    1        3.211  -0.489  -2.120  0.00  0.00    +0.125 C 
ATOM      5  N   LIG    1        4.075  -0.863  -0.967  0.00  0.00    -0.312 N 
ATOM      6  C   LIG    1        3.329  -1.568   0.106  0.00  0.00    +0.125 C 
ATOM      7  C   LIG    1        2.055  -0.803   0.536  0.00  0.00    +0.126 C 
ATOM      8  O   LIG    1       -0.166  -1.312  -2.256  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        4.928   0.154  -0.516  0.00  0.00    +0.121 A 
ATOM     10  N   LIG    1        4.876   0.550   0.775  0.00  0.00    -0.239 NA
ATOM     11  C   LIG    1        5.724   1.524   1.193  0.00  0.00    +0.131 A 
ATOM     12  C   LIG    1        6.656   2.139   0.378  0.00  0.00    +0.070 A 
ATOM     13  C   LIG    1        6.725   1.724  -0.945  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1        5.859   0.722  -1.390  0.00  0.00    +0.045 A 
BRANCH  12  15
ATOM     15  C   LIG    1        7.516   3.156   0.891  0.00  0.00    +0.101 C 
ATOM     16  N   LIG    1        8.214   3.983   1.309  0.00  0.00    -0.191 NA
ENDBRANCH  12  15
ENDBRANCH   5   9
BRANCH   1  17
ATOM     17  C   LIG    1       -0.546  -2.089  -0.008  0.00  0.00    +0.103 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -1.905  -2.611  -0.470  0.00  0.00    +0.083 C 
BRANCH  18  24
ATOM     19  C   LIG    1       -6.599   1.075   2.511  0.00  0.00    +0.044 C 
ATOM     20  C   LIG    1       -5.967   1.056   1.148  0.00  0.00    -0.036 A 
ATOM     21  C   LIG    1       -4.968   0.130   0.780  0.00  0.00    +0.068 A 
ATOM     22  C   LIG    1       -4.406   0.150  -0.507  0.00  0.00    +0.078 A 
ATOM     23  N   LIG    1       -3.409  -0.747  -0.927  0.00  0.00    -0.234 NA
ATOM     24  C   LIG    1       -2.993  -1.634  -0.090  0.00  0.00    +0.111 A 
ATOM     25  N   LIG    1       -3.468  -1.731   1.188  0.00  0.00    -0.310 N 
ATOM     26  H   LIG    1       -3.134  -2.444   1.819  0.00  0.00    +0.170 HD
ATOM     27  C   LIG    1       -4.846   1.103  -1.429  0.00  0.00    +0.028 A 
ATOM     28  C   LIG    1       -5.831   2.024  -1.082  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1       -4.444  -0.912   1.699  0.00  0.00    +0.259 A 
ATOM     30  O   LIG    1       -4.831  -1.066   2.851  0.00  0.00    -0.267 OA
ATOM     31  C   LIG    1       -6.387   2.001   0.197  0.00  0.00    +0.004 A 
ENDBRANCH  18  24
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 5