REMARK  Name = BDB027601
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.771   0.750   0.139  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -0.458   2.068  -0.233  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        0.867   2.284  -0.612  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1        1.189   3.579  -0.991  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1        0.339   4.639  -1.016  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1       -0.925   4.400  -0.629  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        1.794   1.315  -0.614  0.00  0.00    -0.226 NA
ATOM      8  C   LIG    1        1.404   0.092  -0.221  0.00  0.00    +0.162 A 
ATOM      9  C   LIG    1       -1.368   3.152  -0.234  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1        0.156  -0.219   0.167  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        2.413  -0.983  -0.220  0.00  0.00    +0.022 A 
ATOM     12  C   LIG    1        3.773  -0.715  -0.440  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1        4.685  -1.758  -0.429  0.00  0.00    +0.111 A 
ATOM     14  N   LIG    1        4.348  -3.046  -0.218  0.00  0.00    -0.263 NA
ATOM     15  C   LIG    1        3.041  -3.300  -0.011  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1        2.058  -2.323  -0.003  0.00  0.00    +0.031 A 
ENDBRANCH   8  11
BRANCH   1  17
ATOM     17  N   LIG    1       -2.086   0.435   0.539  0.00  0.00    -0.318 N 
ATOM     18  H   LIG    1       -2.734   0.741  -0.187  0.00  0.00    +0.148 HD
BRANCH  17  20
ATOM     19  C   LIG    1       -3.594  -0.990   1.788  0.00  0.00    +0.037 C 
ATOM     20  C   LIG    1       -2.334  -0.987   0.913  0.00  0.00    +0.173 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.546  -1.935  -0.290  0.00  0.00    +0.407 C 
ATOM     22  F   LIG    1       -3.551  -1.481  -1.081  0.00  0.00    -0.169 F 
ATOM     23  F   LIG    1       -1.452  -2.065  -1.069  0.00  0.00    -0.169 F 
ATOM     24  F   LIG    1       -2.889  -3.178   0.123  0.00  0.00    -0.169 F 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH   1  17
TORSDOF 4