REMARK  Name = BDB019080
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.047  -0.293  -0.036  0.00  0.00    +0.202 A 
ATOM      2  N   LIG    1       -0.848  -0.234  -1.195  0.00  0.00    -0.271 N 
ATOM      3  C   LIG    1       -2.173   0.145  -1.177  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1       -2.598   0.057  -2.482  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1       -1.569  -0.334  -3.303  0.00  0.00    -0.243 NA
ATOM      6  C   LIG    1       -2.723   0.501   0.079  0.00  0.00    +0.028 A 
ATOM      7  C   LIG    1       -1.887   0.454   1.139  0.00  0.00    +0.125 A 
ATOM      8  C   LIG    1       -0.534  -0.493  -2.505  0.00  0.00    +0.206 A 
ATOM      9  N   LIG    1       -0.565   0.057   1.113  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -4.111   0.945   0.295  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1       -5.136   0.092   0.734  0.00  0.00    +0.114 A 
ATOM     12  N   LIG    1       -6.404   0.547   0.961  0.00  0.00    -0.254 NA
ATOM     13  C   LIG    1       -6.667   1.849   0.722  0.00  0.00    +0.111 A 
ATOM     14  C   LIG    1       -5.722   2.751   0.274  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -4.427   2.291   0.061  0.00  0.00    +0.012 A 
BRANCH  11  16
ATOM     16  C   LIG    1       -4.865  -1.379   0.996  0.00  0.00    +0.390 C 
ATOM     17  F   LIG    1       -5.982  -2.109   1.287  0.00  0.00    -0.202 F 
ATOM     18  F   LIG    1       -4.285  -2.021  -0.060  0.00  0.00    -0.202 F 
ENDBRANCH  11  16
ENDBRANCH   6  10
BRANCH   1  19
ATOM     19  N   LIG    1        1.262  -0.712  -0.151  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1        1.481  -1.325  -0.928  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1        2.056  -1.004   1.031  0.00  0.00    +0.143 C 
BRANCH  21  24
ATOM     22  F   LIG    1        3.359  -3.526   1.048  0.00  0.00    -0.205 F 
ATOM     23  C   LIG    1        4.081  -2.466   0.656  0.00  0.00    +0.129 A 
ATOM     24  C   LIG    1        3.491  -1.196   0.633  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1        4.291  -0.140   0.206  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1        3.955   1.290   0.001  0.00  0.00    +0.080 C 
ATOM     27  C   LIG    1        5.367   1.853  -0.170  0.00  0.00    +0.234 C 
ATOM     28  O   LIG    1        6.250   0.789  -0.595  0.00  0.00    -0.491 OA
ATOM     29  C   LIG    1        5.608  -0.350  -0.183  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1        6.189  -1.601  -0.172  0.00  0.00    +0.049 A 
ATOM     31  C   LIG    1        5.410  -2.674   0.261  0.00  0.00    +0.042 A 
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 5