REMARK  Name = BDB019055
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.724   0.468  -0.287  0.00  0.00    +0.026 A 
ATOM      2  C   LIG    1        2.130   0.868   0.935  0.00  0.00    +0.078 A 
ATOM      3  N   LIG    1        0.808   0.529   1.127  0.00  0.00    -0.271 N 
ATOM      4  C   LIG    1        0.449   1.039   2.348  0.00  0.00    +0.206 A 
ATOM      5  N   LIG    1        1.454   1.645   2.947  0.00  0.00    -0.243 NA
ATOM      6  C   LIG    1        0.051  -0.193   0.181  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1        0.610  -0.544  -0.948  0.00  0.00    -0.223 NA
ATOM      8  C   LIG    1        2.506   1.545   2.071  0.00  0.00    +0.139 A 
ATOM      9  C   LIG    1        1.934  -0.203  -1.152  0.00  0.00    +0.125 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        4.958  -1.410   0.405  0.00  0.00    +0.046 C 
ATOM     11  C   LIG    1        5.170  -0.134  -0.354  0.00  0.00    -0.025 A 
ATOM     12  C   LIG    1        4.121   0.742  -0.673  0.00  0.00    -0.009 A 
ATOM     13  C   LIG    1        4.401   1.918  -1.377  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1        5.710   2.177  -1.739  0.00  0.00    +0.111 A 
ATOM     15  N   LIG    1        6.740   1.357  -1.452  0.00  0.00    -0.263 NA
ATOM     16  C   LIG    1        6.449   0.228  -0.768  0.00  0.00    +0.114 A 
ENDBRANCH   1  12
BRANCH   6  17
ATOM     17  N   LIG    1       -1.262  -0.502   0.472  0.00  0.00    -0.310 N 
ATOM     18  H   LIG    1       -1.513  -0.566   1.452  0.00  0.00    +0.149 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -2.009  -1.430  -0.359  0.00  0.00    +0.143 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.459  -1.389   0.028  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1       -4.274  -0.298  -0.258  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1       -3.945   0.996  -0.904  0.00  0.00    +0.080 C 
ATOM     23  C   LIG    1       -5.361   1.524  -1.134  0.00  0.00    +0.234 C 
ATOM     24  O   LIG    1       -6.262   0.880  -0.203  0.00  0.00    -0.491 OA
ATOM     25  C   LIG    1       -5.606  -0.274   0.138  0.00  0.00    +0.124 A 
ATOM     26  C   LIG    1       -6.187  -1.316   0.831  0.00  0.00    +0.049 A 
ATOM     27  C   LIG    1       -5.392  -2.424   1.123  0.00  0.00    +0.042 A 
ATOM     28  C   LIG    1       -4.049  -2.452   0.724  0.00  0.00    +0.129 A 
ATOM     29  F   LIG    1       -3.313  -3.528   1.040  0.00  0.00    -0.205 F 
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   6  17
TORSDOF 4