REMARK  Name = BDB021257
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.226   0.322   1.078  0.00  0.00    +0.046 A 
ATOM      2  C   LIG    1        0.664   1.429   0.354  0.00  0.00    +0.151 A 
ATOM      3  N   LIG    1       -0.571   1.894   0.768  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1       -0.879   2.989  -0.006  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1        0.162   3.105  -0.894  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1       -1.295   1.309   1.819  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -0.772   0.326   2.494  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        1.104   2.132  -0.678  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1        0.466  -0.138   2.101  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  N   LIG    1        4.394  -0.802  -0.237  0.00  0.00    -0.268 N 
ATOM     11  N   LIG    1        4.412  -1.536   0.892  0.00  0.00    -0.179 NA
ATOM     12  C   LIG    1        3.269  -1.206   1.500  0.00  0.00    +0.143 A 
ATOM     13  C   LIG    1        2.503  -0.271   0.765  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1        3.268  -0.037  -0.358  0.00  0.00    +0.117 A 
BRANCH  10  16
ATOM     15  C   LIG    1        5.070  -1.438  -2.526  0.00  0.00    +0.032 C 
ATOM     16  C   LIG    1        5.513  -0.888  -1.171  0.00  0.00    +0.101 C 
ATOM     17  C   LIG    1        6.223   0.457  -1.319  0.00  0.00    +0.032 C 
ENDBRANCH  10  16
ENDBRANCH   1  13
BRANCH   5  18
ATOM     18  C   LIG    1        0.314   4.083  -1.928  0.00  0.00    +0.121 C 
ATOM     19  N   LIG    1        0.401   4.884  -2.765  0.00  0.00    -0.189 NA
ENDBRANCH   5  18
BRANCH   6  20
ATOM     20  N   LIG    1       -2.545   1.779   2.156  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -2.788   1.391   3.069  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -3.683   1.563   1.263  0.00  0.00    +0.143 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.138   0.132   1.289  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1       -3.777  -0.799   0.321  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -2.991  -0.643  -0.927  0.00  0.00    +0.080 C 
ATOM     26  C   LIG    1       -2.764  -2.116  -1.266  0.00  0.00    +0.234 C 
ATOM     27  O   LIG    1       -3.804  -2.902  -0.645  0.00  0.00    -0.491 OA
ATOM     28  C   LIG    1       -4.228  -2.113   0.394  0.00  0.00    +0.124 A 
ATOM     29  C   LIG    1       -5.043  -2.562   1.413  0.00  0.00    +0.049 A 
ATOM     30  C   LIG    1       -5.401  -1.651   2.405  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1       -4.948  -0.328   2.338  0.00  0.00    +0.129 A 
ATOM     32  F   LIG    1       -5.307   0.523   3.311  0.00  0.00    -0.205 F 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 6