REMARK  Name = BDB021174
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.251   0.209  -0.196  0.00  0.00    +0.046 A 
ATOM      2  C   LIG    1        0.500   1.053  -1.074  0.00  0.00    +0.150 A 
ATOM      3  N   LIG    1       -0.645   0.520  -1.634  0.00  0.00    -0.271 N 
ATOM      4  C   LIG    1       -1.154   1.462  -2.493  0.00  0.00    +0.129 A 
ATOM      5  C   LIG    1       -0.326   2.559  -2.381  0.00  0.00    +0.144 A 
ATOM      6  C   LIG    1       -1.093  -0.784  -1.356  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -0.380  -1.568  -0.594  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        0.702   2.290  -1.493  0.00  0.00    -0.222 NA
ATOM      9  C   LIG    1        0.765  -1.043  -0.032  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        1.838   3.020   1.379  0.00  0.00    +0.068 C 
ATOM     11  C   LIG    1        2.726   1.852   1.149  0.00  0.00    +0.068 A 
ATOM     12  C   LIG    1        2.451   0.635   0.469  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1        3.616  -0.096   0.575  0.00  0.00    +0.117 A 
ATOM     14  N   LIG    1        4.494   0.685   1.270  0.00  0.00    -0.268 N 
ATOM     15  N   LIG    1        3.974   1.870   1.638  0.00  0.00    -0.176 NA
BRANCH  14  16
ATOM     16  C   LIG    1        5.873   0.367   1.626  0.00  0.00    +0.101 C 
ATOM     17  C   LIG    1        5.954  -0.877   2.510  0.00  0.00    +0.032 C 
ATOM     18  C   LIG    1        6.752   0.228   0.384  0.00  0.00    +0.032 C 
ENDBRANCH  14  16
ENDBRANCH   1  12
BRANCH   5  19
ATOM     19  C   LIG    1       -0.457   3.828  -3.090  0.00  0.00    +0.261 C 
ATOM     20  O   LIG    1       -1.354   4.086  -3.884  0.00  0.00    -0.269 OA
ATOM     21  N   LIG    1        0.531   4.721  -2.791  0.00  0.00    -0.324 N 
ATOM     22  H   LIG    1        1.279   4.437  -2.168  0.00  0.00    +0.145 HD
ATOM     23  H   LIG    1        0.560   5.609  -3.265  0.00  0.00    +0.145 HD
ENDBRANCH   5  19
BRANCH   6  24
ATOM     24  N   LIG    1       -2.264  -1.272  -1.898  0.00  0.00    -0.310 N 
ATOM     25  H   LIG    1       -2.292  -2.270  -1.697  0.00  0.00    +0.149 HD
BRANCH  24  26
ATOM     26  C   LIG    1       -3.550  -0.683  -1.530  0.00  0.00    +0.143 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -3.934  -1.048  -0.125  0.00  0.00    +0.012 A 
ATOM     28  C   LIG    1       -4.538  -2.259   0.202  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -4.898  -3.416  -0.652  0.00  0.00    +0.080 C 
ATOM     30  C   LIG    1       -5.766  -4.195   0.337  0.00  0.00    +0.234 C 
ATOM     31  O   LIG    1       -5.412  -3.807   1.682  0.00  0.00    -0.491 OA
ATOM     32  C   LIG    1       -4.835  -2.573   1.523  0.00  0.00    +0.124 A 
ATOM     33  C   LIG    1       -4.547  -1.720   2.569  0.00  0.00    +0.049 A 
ATOM     34  C   LIG    1       -3.946  -0.499   2.265  0.00  0.00    +0.042 A 
ATOM     35  C   LIG    1       -3.647  -0.177   0.935  0.00  0.00    +0.129 A 
ATOM     36  F   LIG    1       -3.057   1.000   0.680  0.00  0.00    -0.205 F 
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH   6  24
TORSDOF 6