REMARK  Name = BDB022929
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.914   0.940   2.611  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -0.528   0.680   2.039  0.00  0.00    +0.078 C 
ATOM      3  N   LIG    1       -0.378  -0.379   1.019  0.00  0.00    -0.292 N 
ATOM      4  C   LIG    1       -1.079  -0.561  -0.172  0.00  0.00    +0.220 C 
ATOM      5  O   LIG    1       -0.722  -1.427  -0.978  0.00  0.00    -0.275 OA
ATOM      6  C   LIG    1        1.014  -0.865   0.984  0.00  0.00    +0.163 C 
ATOM      7  C   LIG    1        1.986   0.294   0.796  0.00  0.00    +0.067 A 
ATOM      8  C   LIG    1        1.597   1.596   1.096  0.00  0.00    -0.005 A 
ATOM      9  C   LIG    1        2.562   2.556   0.895  0.00  0.00    +0.120 A 
ATOM     10  N   LIG    1        3.807   2.283   0.464  0.00  0.00    -0.223 NA
ATOM     11  C   LIG    1        4.096   1.001   0.208  0.00  0.00    +0.216 A 
ATOM     12  N   LIG    1        3.233  -0.009   0.377  0.00  0.00    -0.218 NA
ATOM     13  C   LIG    1        0.207   1.944   1.565  0.00  0.00    +0.060 C 
ENDROOT
BRANCH   4  14
ATOM     14  C   LIG    1       -2.323   0.269  -0.490  0.00  0.00    +0.085 C 
ATOM     15  C   LIG    1       -3.586  -0.541  -0.106  0.00  0.00    +0.045 C 
ATOM     16  C   LIG    1       -4.026  -1.512  -1.229  0.00  0.00    +0.093 C 
ATOM     17  N   LIG    1       -4.105  -0.869  -2.551  0.00  0.00    -0.305 NA
ATOM     18  C   LIG    1       -4.608  -1.819  -3.545  0.00  0.00    +0.104 C 
ATOM     19  C   LIG    1       -2.785  -0.371  -2.950  0.00  0.00    +0.085 C 
ATOM     20  C   LIG    1       -2.285   0.692  -1.973  0.00  0.00    +0.029 C 
BRANCH  15  21
ATOM     21  C   LIG    1       -4.748   0.326   0.383  0.00  0.00    -0.042 A 
ATOM     22  C   LIG    1       -5.352   1.302  -0.426  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1       -6.410   2.077   0.054  0.00  0.00    +0.038 A 
ATOM     24  C   LIG    1       -6.879   1.875   1.344  0.00  0.00    +0.123 A 
ATOM     25  F   LIG    1       -7.893   2.619   1.804  0.00  0.00    -0.205 F 
ATOM     26  C   LIG    1       -6.315   0.905   2.161  0.00  0.00    +0.038 A 
ATOM     27  C   LIG    1       -5.258   0.130   1.681  0.00  0.00    +0.007 A 
ENDBRANCH  15  21
ENDBRANCH   4  14
BRANCH  11  28
ATOM     28  N   LIG    1        5.387   0.766  -0.245  0.00  0.00    -0.310 N 
ATOM     29  H   LIG    1        5.905   1.602   0.006  0.00  0.00    +0.149 HD
BRANCH  28  30
ATOM     30  C   LIG    1        5.986  -0.508   0.145  0.00  0.00    +0.077 C 
ATOM     31  C   LIG    1        7.508  -0.324   0.252  0.00  0.00    +0.050 C 
ATOM     32  C   LIG    1        8.206  -1.664   0.097  0.00  0.00    +0.161 C 
ATOM     33  O   LIG    1        7.970  -2.273  -1.171  0.00  0.00    -0.380 OA
ATOM     34  C   LIG    1        6.775  -1.856  -1.833  0.00  0.00    +0.161 C 
ATOM     35  C   LIG    1        5.631  -1.613  -0.863  0.00  0.00    +0.050 C 
ENDBRANCH  28  30
ENDBRANCH  11  28
TORSDOF 4