REMARK  Name = BDB021220
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.154  -0.069  -0.574  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1        0.743   1.115  -1.256  0.00  0.00    +0.151 A 
ATOM      3  N   LIG    1       -0.510   1.101  -1.839  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1       -0.664   2.301  -2.494  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1        0.484   3.008  -2.223  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1       -1.367  -0.011  -1.768  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -0.961  -1.110  -1.192  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        1.354   2.268  -1.462  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1        0.289  -1.107  -0.610  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        4.978  -0.489   1.298  0.00  0.00    +0.121 A 
ATOM     11  N   LIG    1        4.868   0.134   0.106  0.00  0.00    -0.240 NA
ATOM     12  C   LIG    1        3.635   0.254  -0.453  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1        2.459  -0.235   0.106  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1        2.584  -0.853   1.351  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1        3.843  -0.979   1.945  0.00  0.00    +0.044 A 
BRANCH  10  17
ATOM     16  C   LIG    1        6.626  -2.014   2.112  0.00  0.00    +0.130 C 
ATOM     17  N   LIG    1        6.240  -0.617   1.916  0.00  0.00    -0.321 N 
ATOM     18  C   LIG    1        7.268   0.198   1.265  0.00  0.00    +0.130 C 
ENDBRANCH  10  17
ENDBRANCH   1  13
BRANCH   5  19
ATOM     19  C   LIG    1        0.808   4.329  -2.668  0.00  0.00    +0.121 C 
ATOM     20  N   LIG    1        1.033   5.402  -3.052  0.00  0.00    -0.189 NA
ENDBRANCH   5  19
BRANCH   6  21
ATOM     21  N   LIG    1       -2.630   0.015  -2.323  0.00  0.00    -0.310 N 
ATOM     22  H   LIG    1       -2.983  -0.940  -2.293  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -3.660   0.909  -1.796  0.00  0.00    +0.143 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.018   0.566  -0.379  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1       -4.886  -0.470  -0.048  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -5.681  -1.374  -0.913  0.00  0.00    +0.080 C 
ATOM     27  C   LIG    1       -6.121  -2.398   0.134  0.00  0.00    +0.234 C 
ATOM     28  O   LIG    1       -6.075  -1.782   1.440  0.00  0.00    -0.491 OA
ATOM     29  C   LIG    1       -5.187  -0.750   1.280  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1       -4.648  -0.032   2.329  0.00  0.00    +0.049 A 
ATOM     31  C   LIG    1       -3.760   0.998   2.021  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1       -3.453   1.284   0.685  0.00  0.00    +0.129 A 
ATOM     33  F   LIG    1       -2.596   2.281   0.425  0.00  0.00    -0.205 F 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   6  21
TORSDOF 6