REMARK  Name = BDB019136
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.135   0.607  -0.596  0.00  0.00    +0.028 A 
ATOM      2  C   LIG    1       -1.683  -0.623  -0.035  0.00  0.00    +0.090 A 
ATOM      3  N   LIG    1       -0.361  -0.643   0.383  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1       -0.107  -1.899   0.865  0.00  0.00    +0.207 A 
ATOM      5  N   LIG    1       -1.168  -2.671   0.817  0.00  0.00    -0.230 NA
ATOM      6  C   LIG    1        0.513   0.461   0.281  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1        0.078   1.568  -0.257  0.00  0.00    -0.223 NA
ATOM      8  C   LIG    1       -2.173  -1.890   0.246  0.00  0.00    +0.153 A 
ATOM      9  C   LIG    1       -1.233   1.610  -0.679  0.00  0.00    +0.125 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1       -4.284   1.746   1.152  0.00  0.00    +0.066 C 
ATOM     11  C   LIG    1       -4.494   1.473  -0.310  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1       -3.485   0.909  -1.107  0.00  0.00    +0.007 A 
ATOM     13  C   LIG    1       -3.772   0.677  -2.458  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1       -5.026   0.998  -2.966  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -5.954   1.558  -2.107  0.00  0.00    +0.111 A 
ATOM     16  N   LIG    1       -5.715   1.812  -0.802  0.00  0.00    -0.260 NA
ENDBRANCH   1  12
BRANCH   8  17
ATOM     17  C   LIG    1       -3.508  -2.450   0.020  0.00  0.00    +0.278 C 
ATOM     18  N   LIG    1       -3.611  -3.762   0.474  0.00  0.00    -0.248 N 
ATOM     19  H   LIG    1       -2.765  -4.205   0.838  0.00  0.00    +0.169 HD
ATOM     20  O   LIG    1       -4.442  -1.859  -0.512  0.00  0.00    -0.267 OA
BRANCH  18  21
ATOM     21  N   LIG    1       -4.799  -4.507   0.288  0.00  0.00    -0.254 NA
ATOM     22  H   LIG    1       -5.231  -4.165  -0.581  0.00  0.00    +0.140 HD
ATOM     23  H   LIG    1       -5.459  -4.209   1.012  0.00  0.00    +0.140 HD
ENDBRANCH  18  21
ENDBRANCH   8  17
BRANCH   6  24
ATOM     24  N   LIG    1        1.806   0.339   0.746  0.00  0.00    -0.310 N 
ATOM     25  H   LIG    1        1.966  -0.328   1.493  0.00  0.00    +0.149 HD
BRANCH  24  26
ATOM     26  C   LIG    1        2.670   1.503   0.852  0.00  0.00    +0.143 C 
BRANCH  26  27
ATOM     27  C   LIG    1        4.075   1.055   1.132  0.00  0.00    +0.012 A 
ATOM     28  C   LIG    1        4.870   0.452   0.161  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1        4.553   0.089  -1.242  0.00  0.00    +0.080 C 
ATOM     30  C   LIG    1        5.963  -0.235  -1.736  0.00  0.00    +0.234 C 
ATOM     31  O   LIG    1        6.795  -0.574  -0.602  0.00  0.00    -0.491 OA
ATOM     32  C   LIG    1        6.155   0.015   0.457  0.00  0.00    +0.124 A 
ATOM     33  C   LIG    1        6.707   0.150   1.714  0.00  0.00    +0.049 A 
ATOM     34  C   LIG    1        5.933   0.757   2.702  0.00  0.00    +0.042 A 
ATOM     35  C   LIG    1        4.636   1.199   2.407  0.00  0.00    +0.129 A 
ATOM     36  F   LIG    1        3.913   1.757   3.389  0.00  0.00    -0.205 F 
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH   6  24
TORSDOF 6