REMARK  Name = BDB034171
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.301  -0.031  -1.974  0.00  0.00    -0.291 NA
ATOM      2  C   LIG    1       -0.134   1.169  -1.227  0.00  0.00    +0.151 C 
ATOM      3  C   LIG    1       -1.557   1.109  -0.728  0.00  0.00    +0.118 C 
ATOM      4  F   LIG    1       -1.918   2.005   0.221  0.00  0.00    -0.209 F 
ATOM      5  C   LIG    1       -2.451   0.202  -1.165  0.00  0.00    -0.005 C 
ATOM      6  C   LIG    1       -2.037  -0.808  -2.211  0.00  0.00    +0.054 C 
ATOM      7  C   LIG    1       -0.738  -0.418  -2.940  0.00  0.00    +0.090 C 
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1       -3.836   0.143  -0.658  0.00  0.00    -0.001 A 
ATOM      9  C   LIG    1       -4.610   1.291  -0.475  0.00  0.00    +0.119 A 
ATOM     10  N   LIG    1       -5.896   1.298  -0.047  0.00  0.00    -0.250 NA
ATOM     11  C   LIG    1       -6.455   0.096   0.223  0.00  0.00    +0.125 A 
ATOM     12  C   LIG    1       -5.778  -1.110   0.074  0.00  0.00    +0.033 A 
ATOM     13  C   LIG    1       -4.457  -1.079  -0.376  0.00  0.00    +0.012 A 
BRANCH  11  14
ATOM     14  C   LIG    1       -7.874   0.110   0.700  0.00  0.00    +0.262 C 
ATOM     15  N   LIG    1       -8.158  -0.747   1.755  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1       -7.381  -1.100   2.298  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1       -9.452  -0.705   2.388  0.00  0.00    +0.128 C 
ATOM     18  O   LIG    1       -8.712   0.843   0.188  0.00  0.00    -0.269 OA
ENDBRANCH  11  14
ENDBRANCH   5   8
BRANCH   1  19
ATOM     19  C   LIG    1        1.586   0.196  -2.655  0.00  0.00    +0.121 C 
BRANCH  19  29
ATOM     20  C   LIG    1        6.348  -0.054   1.786  0.00  0.00    +0.019 A 
ATOM     21  C   LIG    1        5.455  -1.244   1.988  0.00  0.00    +0.252 A 
ATOM     22  O   LIG    1        5.664  -2.069   2.870  0.00  0.00    -0.268 OA
ATOM     23  N   LIG    1        4.386  -1.373   1.138  0.00  0.00    -0.321 N 
ATOM     24  H   LIG    1        3.794  -2.178   1.286  0.00  0.00    +0.169 HD
ATOM     25  C   LIG    1        4.098  -0.452   0.125  0.00  0.00    +0.068 A 
ATOM     26  C   LIG    1        4.915   0.661  -0.057  0.00  0.00    +0.088 A 
ATOM     27  N   LIG    1        4.710   1.597  -1.008  0.00  0.00    -0.253 NA
ATOM     28  C   LIG    1        3.634   1.409  -1.809  0.00  0.00    +0.116 A 
ATOM     29  C   LIG    1        2.749   0.336  -1.704  0.00  0.00    -0.013 A 
ATOM     30  C   LIG    1        3.002  -0.620  -0.712  0.00  0.00    +0.034 A 
ATOM     31  C   LIG    1        6.066   0.840   0.821  0.00  0.00    +0.038 A 
BRANCH  20  33
ATOM     32  C   LIG    1        8.674  -0.817   2.354  0.00  0.00    +0.009 C 
ATOM     33  C   LIG    1        7.514   0.098   2.723  0.00  0.00    +0.037 C 
ENDBRANCH  20  33
ENDBRANCH  19  29
ENDBRANCH   1  19
TORSDOF 5