REMARK  Name = BDB048173
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.068   3.332  -0.179  0.00  0.00    +0.061 A 
ATOM      2  C   LIG    1        0.112   2.575  -0.137  0.00  0.00    +0.040 A 
ATOM      3  C   LIG    1        0.047   1.188   0.002  0.00  0.00    +0.056 A 
ATOM      4  C   LIG    1       -1.205   0.534   0.113  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1       -2.377   1.300   0.067  0.00  0.00    +0.026 A 
ATOM      6  C   LIG    1       -2.310   2.688  -0.078  0.00  0.00    +0.017 A 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1       -1.219  -0.875   0.269  0.00  0.00    -0.326 N 
ATOM      8  C   LIG    1       -1.700  -1.288   1.609  0.00  0.00    +0.120 C 
ATOM      9  C   LIG    1       -1.948  -2.813   1.647  0.00  0.00    +0.103 C 
ATOM     10  N   LIG    1       -2.934  -3.307   0.660  0.00  0.00    -0.302 NA
ATOM     11  C   LIG    1       -4.204  -3.662   1.287  0.00  0.00    +0.105 C 
ATOM     12  C   LIG    1       -3.145  -2.337  -0.436  0.00  0.00    +0.103 C 
ATOM     13  C   LIG    1       -1.858  -1.597  -0.862  0.00  0.00    +0.120 C 
ENDBRANCH   4   7
BRANCH   3  14
ATOM     14  N   LIG    1        1.172   0.337   0.045  0.00  0.00    -0.280 N 
ATOM     15  H   LIG    1        0.894  -0.639   0.116  0.00  0.00    +0.155 HD
ATOM     16  C   LIG    1        2.502   0.663  -0.090  0.00  0.00    +0.248 C 
ATOM     17  O   LIG    1        2.957   1.777  -0.318  0.00  0.00    -0.270 OA
BRANCH  16  18
ATOM     18  C   LIG    1        3.451  -0.485   0.021  0.00  0.00    +0.039 A 
ATOM     19  C   LIG    1        4.670  -0.407  -0.675  0.00  0.00    +0.038 A 
ATOM     20  C   LIG    1        5.586  -1.462  -0.635  0.00  0.00    +0.061 A 
ATOM     21  C   LIG    1        5.300  -2.555   0.195  0.00  0.00    +0.144 A 
ATOM     22  F   LIG    1        6.189  -3.555   0.303  0.00  0.00    -0.204 F 
ATOM     23  C   LIG    1        4.106  -2.640   0.907  0.00  0.00    +0.041 A 
ATOM     24  C   LIG    1        3.175  -1.605   0.820  0.00  0.00    +0.016 A 
BRANCH  20  25
ATOM     25  N   LIG    1        6.846  -1.325  -1.238  0.00  0.00    -0.356 N 
ATOM     26  H   LIG    1        7.322  -2.214  -1.372  0.00  0.00    +0.142 HD
ATOM     27  H   LIG    1        6.859  -0.734  -2.063  0.00  0.00    +0.142 HD
ENDBRANCH  20  25
ENDBRANCH  16  18
ENDBRANCH   3  14
BRANCH   1  28
ATOM     28  C   LIG    1       -0.955   4.810  -0.328  0.00  0.00    +0.339 C 
ATOM     29  O   LIG    1        0.105   5.410  -0.392  0.00  0.00    -0.245 OA
BRANCH  28  31
ATOM     30  C   LIG    1       -2.160   6.800  -0.529  0.00  0.00    +0.280 C 
ATOM     31  O   LIG    1       -2.187   5.379  -0.383  0.00  0.00    -0.464 OA
ENDBRANCH  28  31
ENDBRANCH   1  28
TORSDOF 6