REMARK  Name = BDB020497
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.252   2.069   1.381  0.00  0.00    +0.041 C 
ATOM      2  C   LIG    1       -3.281   1.423  -0.000  0.00  0.00    +0.172 C 
ATOM      3  N   LIG    1       -2.392   0.274  -0.068  0.00  0.00    -0.314 N 
ATOM      4  C   LIG    1       -1.086   0.390  -0.479  0.00  0.00    +0.065 A 
ATOM      5  C   LIG    1       -0.556  -0.873  -0.327  0.00  0.00    +0.094 A 
ATOM      6  N   LIG    1       -1.523  -1.745   0.115  0.00  0.00    -0.228 NA
ATOM      7  C   LIG    1       -0.563   1.684  -0.951  0.00  0.00    +0.163 C 
ATOM      8  N   LIG    1       -1.634   2.438  -1.587  0.00  0.00    -0.297 N 
ATOM      9  C   LIG    1       -1.233   3.494  -2.500  0.00  0.00    +0.132 C 
ATOM     10  C   LIG    1       -2.627  -1.038   0.260  0.00  0.00    +0.138 A 
ATOM     11  C   LIG    1       -2.922   2.466  -1.060  0.00  0.00    +0.238 C 
ATOM     12  O   LIG    1       -3.755   3.310  -1.399  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   5  13
ATOM     13  C   LIG    1        0.803  -1.294  -0.613  0.00  0.00    +0.003 A 
ATOM     14  C   LIG    1        1.903  -0.505  -0.236  0.00  0.00    +0.022 A 
ATOM     15  C   LIG    1        3.214  -0.937  -0.537  0.00  0.00    +0.028 A 
ATOM     16  C   LIG    1        4.538  -0.452  -0.346  0.00  0.00    +0.103 A 
ATOM     17  N   LIG    1        5.455  -1.261  -0.891  0.00  0.00    -0.170 NA
ATOM     18  N   LIG    1        4.733  -2.284  -1.381  0.00  0.00    -0.266 N 
ATOM     19  C   LIG    1        5.409  -3.383  -2.029  0.00  0.00    +0.173 C 
ATOM     20  C   LIG    1        3.378  -2.147  -1.211  0.00  0.00    +0.069 A 
ATOM     21  C   LIG    1        2.300  -2.964  -1.578  0.00  0.00    +0.028 A 
ATOM     22  C   LIG    1        1.014  -2.516  -1.259  0.00  0.00    +0.012 A 
BRANCH  16  23
ATOM     23  C   LIG    1        4.919   0.781   0.336  0.00  0.00    +0.040 A 
ATOM     24  C   LIG    1        4.252   1.529   1.280  0.00  0.00    +0.118 A 
ATOM     25  N   LIG    1        5.083   2.568   1.589  0.00  0.00    -0.274 N 
ATOM     26  C   LIG    1        4.841   3.619   2.547  0.00  0.00    +0.172 C 
ATOM     27  N   LIG    1        6.240   2.555   0.904  0.00  0.00    -0.179 NA
ATOM     28  C   LIG    1        6.146   1.451   0.155  0.00  0.00    +0.144 A 
ENDBRANCH  16  23
ENDBRANCH   5  13
BRANCH  10  29
ATOM     29  C   LIG    1       -3.908  -1.474   0.701  0.00  0.00    -0.004 C 
ATOM     30  C   LIG    1       -5.083  -1.733  -0.216  0.00  0.00    +0.066 C 
ATOM     31  C   LIG    1       -6.100  -2.665   0.437  0.00  0.00    +0.165 C 
ATOM     32  O   LIG    1       -6.412  -2.185   1.746  0.00  0.00    -0.375 OA
ATOM     33  C   LIG    1       -5.290  -2.297   2.625  0.00  0.00    +0.187 C 
ATOM     34  C   LIG    1       -4.027  -1.772   2.010  0.00  0.00    +0.008 C 
ENDBRANCH  10  29
TORSDOF 3