REMARK  Name = BDB016176
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.211   0.242   1.325  0.00  0.00    +0.033 A 
ATOM      2  C   LIG    1       -1.357   0.485   0.505  0.00  0.00    +0.059 A 
ATOM      3  N   LIG    1       -1.980  -0.638  -0.081  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -1.841  -1.460   0.510  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -3.359  -0.535  -0.538  0.00  0.00    +0.076 C 
ATOM      6  C   LIG    1       -3.383   0.256  -1.827  0.00  0.00    +0.118 C 
ATOM      7  C   LIG    1       -3.507   1.713  -1.528  0.00  0.00    +0.219 C 
ATOM      8  N   LIG    1       -2.716   2.313  -0.605  0.00  0.00    -0.284 N 
ATOM      9  H   LIG    1       -2.883   3.312  -0.597  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1       -4.304   2.415  -2.158  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1       -3.886  -1.952  -0.785  0.00  0.00    +0.028 C 
ATOM     12  C   LIG    1       -1.706   1.834   0.256  0.00  0.00    +0.055 A 
ATOM     13  C   LIG    1       -1.004   2.866   0.915  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1        0.067   2.604   1.762  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1        0.471   1.294   1.958  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1  18
ATOM     16  C   LIG    1        1.863  -3.056   1.464  0.00  0.00    +0.047 C 
ATOM     17  C   LIG    1        1.461  -1.640   1.149  0.00  0.00    -0.007 C 
ATOM     18  C   LIG    1        0.284  -1.130   1.566  0.00  0.00    +0.136 C 
ATOM     19  F   LIG    1       -0.570  -1.937   2.241  0.00  0.00    -0.205 F 
BRANCH  17  20
ATOM     20  C   LIG    1        2.433  -0.873   0.343  0.00  0.00    -0.019 A 
ATOM     21  C   LIG    1        2.087  -0.403  -0.933  0.00  0.00    +0.009 A 
ATOM     22  C   LIG    1        3.004   0.325  -1.696  0.00  0.00    +0.019 A 
ATOM     23  C   LIG    1        4.281   0.587  -1.194  0.00  0.00    +0.052 A 
ATOM     24  C   LIG    1        4.637   0.114   0.074  0.00  0.00    +0.019 A 
ATOM     25  C   LIG    1        3.718  -0.614   0.836  0.00  0.00    +0.009 A 
BRANCH  23  26
ATOM     26  C   LIG    1        5.223   1.336  -1.973  0.00  0.00    +0.099 C 
ATOM     27  N   LIG    1        5.988   1.943  -2.600  0.00  0.00    -0.191 NA
ENDBRANCH  23  26
ENDBRANCH  17  20
ENDBRANCH   1  18
TORSDOF 3