REMARK  Name = BDB017633
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.900  -0.988   0.779  0.00  0.00    -0.031 A 
ATOM      2  C   LIG    1       -1.790  -1.586  -0.122  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1       -3.047  -1.020  -0.353  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1       -3.447   0.159   0.293  0.00  0.00    +0.020 A 
ATOM      5  C   LIG    1       -4.788   0.717  -0.011  0.00  0.00    +0.045 A 
ATOM      6  N   LIG    1       -5.167   1.936   0.547  0.00  0.00    -0.343 N 
ATOM      7  H   LIG    1       -4.381   2.557   0.718  0.00  0.00    +0.146 HD
ATOM      8  C   LIG    1       -6.351   2.640   0.065  0.00  0.00    +0.102 C 
ATOM      9  C   LIG    1       -7.467   1.635  -0.192  0.00  0.00    +0.023 C 
ATOM     10  C   LIG    1       -7.000   0.537  -1.153  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -5.614   0.041  -0.835  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1       -5.188  -1.222  -1.497  0.00  0.00    +0.254 A 
ATOM     13  O   LIG    1       -5.929  -1.836  -2.260  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1       -2.560   0.738   1.211  0.00  0.00    +0.012 A 
ATOM     15  N   LIG    1       -3.924  -1.662  -1.232  0.00  0.00    -0.322 N 
ATOM     16  H   LIG    1       -3.649  -2.518  -1.694  0.00  0.00    +0.169 HD
ATOM     17  C   LIG    1       -1.300   0.175   1.449  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   1  18
ATOM     18  C   LIG    1        0.459  -1.604   1.039  0.00  0.00    +0.119 C 
BRANCH  18  22
ATOM     19  N   LIG    1        4.121  -0.735  -0.694  0.00  0.00    -0.313 N 
ATOM     20  C   LIG    1        2.949  -0.313  -1.501  0.00  0.00    +0.122 C 
ATOM     21  C   LIG    1        1.637  -0.345  -0.687  0.00  0.00    +0.103 C 
ATOM     22  N   LIG    1        1.291  -1.697  -0.171  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1        2.516  -2.492   0.074  0.00  0.00    +0.103 C 
ATOM     24  C   LIG    1        3.774  -1.661   0.412  0.00  0.00    +0.122 C 
BRANCH  19  27
ATOM     25  C   LIG    1        7.005  -0.983  -0.457  0.00  0.00    +0.047 C 
ATOM     26  C   LIG    1        6.252   0.248  -0.040  0.00  0.00    -0.008 A 
ATOM     27  C   LIG    1        4.855   0.356  -0.181  0.00  0.00    +0.124 A 
ATOM     28  N   LIG    1        4.186   1.476   0.189  0.00  0.00    -0.237 NA
ATOM     29  C   LIG    1        4.900   2.499   0.714  0.00  0.00    +0.151 A 
ATOM     30  C   LIG    1        6.265   2.460   0.901  0.00  0.00    +0.142 A 
ATOM     31  F   LIG    1        6.914   3.502   1.435  0.00  0.00    -0.204 F 
ATOM     32  C   LIG    1        6.954   1.322   0.525  0.00  0.00    +0.046 A 
ENDBRANCH  19  27
ENDBRANCH  18  22
ENDBRANCH   1  18
TORSDOF 3