REMARK  Name = BDB008548
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.852  -0.405   0.700  0.00  0.00    -0.289 N 
ATOM      2  C   LIG    1        1.682  -0.421  -0.436  0.00  0.00    +0.246 C 
ATOM      3  O   LIG    1        1.991  -1.482  -0.993  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   2   4
ATOM      4  C   LIG    1        2.219   0.929  -0.987  0.00  0.00    +0.217 C 
ATOM      5  O   LIG    1        2.883   0.785  -2.255  0.00  0.00    -0.365 OA
ATOM      6  C   LIG    1        4.309   0.686  -2.170  0.00  0.00    +0.176 C 
ATOM      7  C   LIG    1        4.838   0.203  -0.813  0.00  0.00    +0.109 C 
ATOM      8  N   LIG    1        4.409   1.051   0.311  0.00  0.00    -0.311 NA
ATOM      9  H   LIG    1        5.101   1.782   0.476  0.00  0.00    +0.122 HD
ATOM     10  C   LIG    1        3.105   1.678   0.031  0.00  0.00    +0.122 C 
ENDBRANCH   2   4
BRANCH   1  11
ATOM     11  C   LIG    1        0.512  -1.694   1.292  0.00  0.00    +0.077 C 
ATOM     12  C   LIG    1        1.585  -2.683   1.687  0.00  0.00    +0.024 C 
ATOM     13  C   LIG    1        0.779  -2.003   2.744  0.00  0.00    +0.024 C 
ENDBRANCH   1  11
BRANCH   1  14
ATOM     14  C   LIG    1       -0.075   0.721   0.999  0.00  0.00    +0.104 C 
ATOM     15  C   LIG    1       -0.004   1.137   2.475  0.00  0.00    +0.033 C 
BRANCH  14  18
ATOM     16  C   LIG    1       -2.932   0.038  -1.466  0.00  0.00    +0.124 A 
ATOM     17  C   LIG    1       -1.667   0.292  -0.930  0.00  0.00    +0.051 A 
ATOM     18  C   LIG    1       -1.482   0.453   0.457  0.00  0.00    -0.020 A 
ATOM     19  C   LIG    1       -2.611   0.356   1.285  0.00  0.00    +0.051 A 
ATOM     20  C   LIG    1       -3.885   0.115   0.758  0.00  0.00    +0.124 A 
ATOM     21  C   LIG    1       -4.039  -0.039  -0.618  0.00  0.00    +0.091 A 
BRANCH  16  23
ATOM     22  C   LIG    1       -2.107  -0.280  -3.675  0.00  0.00    +0.277 C 
ATOM     23  O   LIG    1       -3.216  -0.141  -2.794  0.00  0.00    -0.495 OA
ENDBRANCH  16  23
BRANCH  20  24
ATOM     24  O   LIG    1       -4.884   0.054   1.691  0.00  0.00    -0.495 OA
ATOM     25  C   LIG    1       -6.195  -0.216   1.210  0.00  0.00    +0.277 C 
ENDBRANCH  20  24
ENDBRANCH  14  18
ENDBRANCH   1  14
TORSDOF 6