REMARK  Name = BDB027629
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.501   1.020  -0.181  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1        0.084   2.296  -0.227  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        1.454   2.337   0.033  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1        2.046   3.590  -0.019  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1        1.415   4.763  -0.290  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1        0.094   4.690  -0.521  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        2.176   1.244   0.320  0.00  0.00    -0.226 NA
ATOM      8  C   LIG    1        1.523   0.073   0.369  0.00  0.00    +0.162 A 
ATOM      9  C   LIG    1       -0.609   3.499  -0.501  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1        0.208  -0.074   0.131  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        2.302  -1.134   0.701  0.00  0.00    +0.022 A 
ATOM     12  C   LIG    1        3.701  -1.098   0.807  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1        4.393  -2.258   1.119  0.00  0.00    +0.111 A 
ATOM     14  N   LIG    1        3.800  -3.449   1.334  0.00  0.00    -0.263 NA
ATOM     15  C   LIG    1        2.457  -3.479   1.235  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1        1.682  -2.372   0.926  0.00  0.00    +0.031 A 
ENDBRANCH   8  11
BRANCH   1  17
ATOM     17  N   LIG    1       -1.877   0.884  -0.457  0.00  0.00    -0.307 N 
ATOM     18  H   LIG    1       -2.034   1.289  -1.385  0.00  0.00    +0.149 HD
BRANCH  17  20
ATOM     19  C   LIG    1       -2.545  -1.030   1.017  0.00  0.00    +0.053 C 
ATOM     20  C   LIG    1       -2.484  -0.505  -0.426  0.00  0.00    +0.223 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.921  -0.480  -0.985  0.00  0.00    +0.421 C 
ATOM     22  F   LIG    1       -3.972   0.091  -2.213  0.00  0.00    -0.168 F 
ATOM     23  F   LIG    1       -4.466  -1.714  -1.085  0.00  0.00    -0.168 F 
ATOM     24  F   LIG    1       -4.745   0.249  -0.191  0.00  0.00    -0.168 F 
ENDBRANCH  20  21
BRANCH  20  25
ATOM     25  C   LIG    1       -1.773  -1.436  -1.406  0.00  0.00    +0.337 C 
ATOM     26  O   LIG    1       -1.396  -1.129  -2.530  0.00  0.00    -0.248 OA
BRANCH  25  27
ATOM     27  O   LIG    1       -1.581  -2.697  -0.967  0.00  0.00    -0.479 OA
ATOM     28  H   LIG    1       -1.099  -3.135  -1.702  0.00  0.00    +0.295 HD
ENDBRANCH  25  27
ENDBRANCH  20  25
ENDBRANCH  17  20
ENDBRANCH   1  17
TORSDOF 6