REMARK  Name = BDB019082
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.709  -0.049  -0.509  0.00  0.00    +0.029 A 
ATOM      2  C   LIG    1        0.904   1.110  -0.323  0.00  0.00    +0.078 A 
ATOM      3  N   LIG    1       -0.459   0.926  -0.244  0.00  0.00    -0.271 N 
ATOM      4  C   LIG    1       -1.020   2.172  -0.139  0.00  0.00    +0.206 A 
ATOM      5  N   LIG    1       -0.110   3.119  -0.067  0.00  0.00    -0.243 NA
ATOM      6  C   LIG    1       -1.066  -0.340  -0.303  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -0.331  -1.403  -0.487  0.00  0.00    -0.223 NA
ATOM      8  C   LIG    1        1.093   2.466  -0.175  0.00  0.00    +0.139 A 
ATOM      9  C   LIG    1        1.037  -1.223  -0.582  0.00  0.00    +0.125 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        3.516   1.530  -2.716  0.00  0.00    +0.068 C 
ATOM     11  C   LIG    1        3.938   0.683  -1.573  0.00  0.00    +0.068 A 
ATOM     12  C   LIG    1        3.135  -0.005  -0.628  0.00  0.00    +0.026 A 
ATOM     13  C   LIG    1        4.029  -0.656   0.193  0.00  0.00    +0.117 A 
ATOM     14  N   LIG    1        5.272  -0.328  -0.268  0.00  0.00    -0.268 N 
ATOM     15  N   LIG    1        5.243   0.484  -1.341  0.00  0.00    -0.176 NA
BRANCH  14  16
ATOM     16  C   LIG    1        6.559  -0.757   0.271  0.00  0.00    +0.101 C 
ATOM     17  C   LIG    1        6.762  -0.255   1.700  0.00  0.00    +0.032 C 
ATOM     18  C   LIG    1        6.726  -2.273   0.183  0.00  0.00    +0.032 C 
ENDBRANCH  14  16
ENDBRANCH   1  12
BRANCH   6  19
ATOM     19  N   LIG    1       -2.433  -0.480  -0.189  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1       -2.652  -1.437  -0.470  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -3.059  -0.256   1.114  0.00  0.00    +0.143 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.524  -0.580   1.042  0.00  0.00    +0.012 A 
ATOM     23  C   LIG    1       -5.412   0.119   0.229  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1       -5.166   1.218  -0.736  0.00  0.00    +0.080 C 
ATOM     25  C   LIG    1       -6.609   1.646  -1.003  0.00  0.00    +0.234 C 
ATOM     26  O   LIG    1       -7.494   0.548  -0.684  0.00  0.00    -0.491 OA
ATOM     27  C   LIG    1       -6.758  -0.222   0.179  0.00  0.00    +0.124 A 
ATOM     28  C   LIG    1       -7.285  -1.258   0.922  0.00  0.00    +0.049 A 
ATOM     29  C   LIG    1       -6.419  -1.964   1.755  0.00  0.00    +0.042 A 
ATOM     30  C   LIG    1       -5.061  -1.623   1.810  0.00  0.00    +0.129 A 
ATOM     31  F   LIG    1       -4.260  -2.329   2.620  0.00  0.00    -0.205 F 
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   6  19
TORSDOF 5