REMARK  Name = BDB040882
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.430  -1.439   1.033  0.00  0.00    -0.316 N 
ATOM      2  C   LIG    1       -1.682  -0.273   1.203  0.00  0.00    +0.103 C 
ATOM      3  N   LIG    1       -0.961  -0.351   2.385  0.00  0.00    -0.256 N 
ATOM      4  C   LIG    1        0.049   0.499   2.802  0.00  0.00    +0.242 C 
ATOM      5  C   LIG    1        0.519   1.477   1.716  0.00  0.00    +0.172 C 
ATOM      6  C   LIG    1       -0.735   2.018   0.988  0.00  0.00    +0.085 C 
ATOM      7  O   LIG    1        0.619   0.372   3.884  0.00  0.00    -0.273 OA
ATOM      8  C   LIG    1       -1.302  -1.560   3.123  0.00  0.00    +0.134 C 
ATOM      9  C   LIG    1       -1.566   0.854   0.471  0.00  0.00    +0.040 C 
ATOM     10  C   LIG    1       -2.437  -2.189   2.315  0.00  0.00    +0.125 C 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1       -0.506   3.167   0.003  0.00  0.00    -0.037 A 
ATOM     12  C   LIG    1       -1.558   4.085  -0.212  0.00  0.00    +0.007 A 
ATOM     13  C   LIG    1       -1.421   5.149  -1.105  0.00  0.00    +0.038 A 
ATOM     14  C   LIG    1       -0.228   5.312  -1.792  0.00  0.00    +0.123 A 
ATOM     15  F   LIG    1       -0.091   6.331  -2.650  0.00  0.00    -0.205 F 
ATOM     16  C   LIG    1        0.826   4.430  -1.601  0.00  0.00    +0.038 A 
ATOM     17  C   LIG    1        0.688   3.362  -0.709  0.00  0.00    +0.007 A 
ENDBRANCH   6  11
BRANCH   5  18
ATOM     18  N   LIG    1        1.431   0.692   0.862  0.00  0.00    -0.299 N 
ATOM     19  H   LIG    1        1.079  -0.204   0.544  0.00  0.00    +0.150 HD
ATOM     20  C   LIG    1        2.799   0.796   1.015  0.00  0.00    +0.245 C 
ATOM     21  O   LIG    1        3.339   1.675   1.674  0.00  0.00    -0.270 OA
BRANCH  20  22
ATOM     22  C   LIG    1        3.616  -0.240   0.327  0.00  0.00    +0.037 A 
ATOM     23  C   LIG    1        3.182  -0.865  -0.852  0.00  0.00    +0.016 A 
ATOM     24  C   LIG    1        3.976  -1.842  -1.469  0.00  0.00    -0.050 A 
ATOM     25  C   LIG    1        3.529  -2.486  -2.749  0.00  0.00    +0.044 C 
ATOM     26  C   LIG    1        5.221  -2.163  -0.913  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1        5.662  -1.530   0.250  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        4.864  -0.569   0.868  0.00  0.00    +0.013 A 
ENDBRANCH  20  22
ENDBRANCH   5  18
BRANCH   9  29
ATOM     29  C   LIG    1       -2.281   1.014  -0.813  0.00  0.00    +0.160 C 
ATOM     30  O   LIG    1       -3.444   1.415  -0.828  0.00  0.00    -0.293 OA
ATOM     31  C   LIG    1       -1.523   0.696  -2.075  0.00  0.00    +0.091 C 
ENDBRANCH   9  29
BRANCH   1  32
ATOM     32  C   LIG    1       -3.632  -1.576   0.198  0.00  0.00    +0.106 C 
BRANCH  32  34
ATOM     33  C   LIG    1       -2.991  -3.810  -0.837  0.00  0.00    +0.005 C 
ATOM     34  C   LIG    1       -4.036  -3.034  -0.047  0.00  0.00    +0.015 C 
ENDBRANCH  32  34
ENDBRANCH   1  32
TORSDOF 6