REMARK  Name = BDB027642
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.366  -1.105   0.250  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1        0.434  -2.239   0.487  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        1.800  -1.992   0.616  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1        2.602  -3.098   0.854  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1        2.177  -4.384   0.964  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1        0.858  -4.591   0.822  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        2.327  -0.764   0.522  0.00  0.00    -0.226 NA
ATOM      8  C   LIG    1        1.488   0.255   0.284  0.00  0.00    +0.162 A 
ATOM      9  C   LIG    1       -0.043  -3.569   0.587  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1        0.156   0.130   0.100  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        2.074   1.604   0.225  0.00  0.00    +0.022 A 
ATOM     12  C   LIG    1        3.432   1.793  -0.078  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1        3.947   3.079  -0.123  0.00  0.00    +0.111 A 
ATOM     14  N   LIG    1        3.216   4.185   0.111  0.00  0.00    -0.263 NA
ATOM     15  C   LIG    1        1.915   4.000   0.408  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1        1.313   2.753   0.481  0.00  0.00    +0.031 A 
ENDBRANCH   8  11
BRANCH   1  17
ATOM     17  N   LIG    1       -1.764  -1.277   0.133  0.00  0.00    -0.317 N 
ATOM     18  H   LIG    1       -2.097  -1.759   0.973  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -2.577  -0.053  -0.134  0.00  0.00    +0.187 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -4.049  -0.224   0.304  0.00  0.00    +0.408 C 
ATOM     21  F   LIG    1       -4.098  -0.579   1.613  0.00  0.00    -0.169 F 
ATOM     22  F   LIG    1       -4.671  -1.198  -0.395  0.00  0.00    -0.169 F 
ATOM     23  F   LIG    1       -4.755   0.913   0.165  0.00  0.00    -0.169 F 
ENDBRANCH  19  20
BRANCH  19  24
ATOM     24  C   LIG    1       -2.516   0.272  -1.626  0.00  0.00    +0.151 C 
BRANCH  24  26
ATOM     25  O   LIG    1       -3.317   2.496  -2.058  0.00  0.00    -0.251 OA
ATOM     26  C   LIG    1       -2.386   1.754  -1.793  0.00  0.00    +0.307 C 
BRANCH  26  27
ATOM     27  O   LIG    1       -1.129   2.199  -1.580  0.00  0.00    -0.481 OA
ATOM     28  H   LIG    1       -0.499   1.486  -1.327  0.00  0.00    +0.295 HD
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 7