REMARK  Name = BDB039294
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.366  -1.600  -0.912  0.00  0.00    -0.295 NA
ATOM      2  C   LIG    1        0.216  -0.277  -0.584  0.00  0.00    +0.103 C 
ATOM      3  C   LIG    1        1.691  -0.103  -1.018  0.00  0.00    +0.120 C 
ATOM      4  N   LIG    1        2.553  -1.116  -0.383  0.00  0.00    -0.324 N 
ATOM      5  C   LIG    1        1.886  -2.354   0.057  0.00  0.00    +0.120 C 
ATOM      6  C   LIG    1        0.661  -2.663  -0.837  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        3.862  -0.832  -0.014  0.00  0.00    +0.085 A 
ATOM      8  C   LIG    1        4.573  -1.497   1.010  0.00  0.00    +0.235 A 
ATOM      9  F   LIG    1        3.953  -2.453   1.723  0.00  0.00    -0.182 F 
ATOM     10  N   LIG    1        5.852  -1.254   1.378  0.00  0.00    -0.213 NA
ATOM     11  C   LIG    1        6.500  -0.285   0.700  0.00  0.00    +0.129 A 
ATOM     12  C   LIG    1        5.920   0.443  -0.329  0.00  0.00    +0.035 A 
ATOM     13  C   LIG    1        4.598   0.160  -0.680  0.00  0.00    +0.030 A 
BRANCH  11  14
ATOM     14  C   LIG    1        7.915  -0.017   1.111  0.00  0.00    +0.262 C 
ATOM     15  N   LIG    1        8.811   0.199   0.073  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        8.543  -0.094  -0.858  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1       10.219   0.327   0.354  0.00  0.00    +0.128 C 
ATOM     18  O   LIG    1        8.242  -0.005   2.292  0.00  0.00    -0.269 OA
ENDBRANCH  11  14
ENDBRANCH   4   7
BRANCH   1  19
ATOM     19  C   LIG    1       -1.517  -1.906  -0.046  0.00  0.00    +0.122 C 
BRANCH  19  29
ATOM     20  C   LIG    1       -6.279   2.468   0.024  0.00  0.00    +0.259 C 
ATOM     21  C   LIG    1       -5.920   2.170   1.494  0.00  0.00    +0.258 C 
ATOM     22  O   LIG    1       -6.446   2.715   2.460  0.00  0.00    -0.271 OA
ATOM     23  N   LIG    1       -4.876   1.300   1.656  0.00  0.00    -0.277 N 
ATOM     24  H   LIG    1       -4.536   1.135   2.596  0.00  0.00    +0.155 HD
ATOM     25  C   LIG    1       -4.332   0.597   0.579  0.00  0.00    +0.112 A 
ATOM     26  C   LIG    1       -4.902   0.705  -0.689  0.00  0.00    +0.146 A 
ATOM     27  C   LIG    1       -4.384  -0.038  -1.748  0.00  0.00    +0.048 A 
ATOM     28  C   LIG    1       -3.283  -0.875  -1.545  0.00  0.00    +0.011 A 
ATOM     29  C   LIG    1       -2.694  -0.987  -0.275  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -3.239  -0.249   0.779  0.00  0.00    +0.152 A 
ATOM     31  F   LIG    1       -2.709  -0.351   2.009  0.00  0.00    -0.203 F 
ATOM     32  O   LIG    1       -6.004   1.470  -0.957  0.00  0.00    -0.478 OA
BRANCH  20  34
ATOM     33  C   LIG    1       -8.724   1.736   0.122  0.00  0.00    +0.008 C 
ATOM     34  C   LIG    1       -7.750   2.885  -0.114  0.00  0.00    +0.051 C 
ENDBRANCH  20  34
ENDBRANCH  19  29
ENDBRANCH   1  19
TORSDOF 5