REMARK  Name = BDB006920
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.313  -0.079  -1.646  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1       -0.231  -0.835  -2.075  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1        0.822  -1.476  -1.392  0.00  0.00    +0.043 A 
ATOM      4  C   LIG    1        1.671  -2.086  -2.313  0.00  0.00    -0.001 A 
ATOM      5  C   LIG    1        2.773  -2.779  -1.862  0.00  0.00    +0.117 A 
ATOM      6  N   LIG    1        3.066  -2.896  -0.552  0.00  0.00    -0.259 NA
ATOM      7  C   LIG    1        2.235  -2.298   0.342  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1        1.237  -1.855  -3.735  0.00  0.00    +0.009 C 
ATOM      9  C   LIG    1        1.046  -3.165  -4.503  0.00  0.00    +0.017 C 
ATOM     10  C   LIG    1        2.231  -0.944  -4.466  0.00  0.00    +0.017 C 
ATOM     11  C   LIG    1        1.095  -1.583  -0.041  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1       -0.112  -1.137  -3.512  0.00  0.00    +0.124 C 
ATOM     13  O   LIG    1       -2.164   0.291  -2.465  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1  14
ATOM     14  C   LIG    1       -1.415   0.279  -0.156  0.00  0.00    +0.181 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -2.902   1.284   1.575  0.00  0.00    +0.097 C 
ATOM     16  N   LIG    1       -2.499   1.233   0.139  0.00  0.00    -0.286 NA
ATOM     17  C   LIG    1       -2.232   2.589  -0.375  0.00  0.00    +0.103 C 
ATOM     18  C   LIG    1       -3.518   3.472  -0.330  0.00  0.00    +0.065 C 
ATOM     19  C   LIG    1       -4.240   3.450  -1.680  0.00  0.00    +0.025 C 
ATOM     20  N   LIG    1       -4.490   3.059   0.716  0.00  0.00    -0.311 NA
ATOM     21  H   LIG    1       -4.994   2.254   0.333  0.00  0.00    +0.122 HD
ATOM     22  C   LIG    1       -3.749   2.562   1.887  0.00  0.00    +0.102 C 
BRANCH  15  23
ATOM     23  C   LIG    1       -1.771   1.196   2.640  0.00  0.00    +0.179 C 
BRANCH  23  25
ATOM     24  C   LIG    1       -1.881  -1.055   3.413  0.00  0.00    +0.194 C 
ATOM     25  O   LIG    1       -1.121  -0.079   2.708  0.00  0.00    -0.381 OA
ENDBRANCH  23  25
ENDBRANCH  15  23
ENDBRANCH  14  16
ENDBRANCH   1  14
BRANCH   7  26
ATOM     26  C   LIG    1        2.603  -2.419   1.805  0.00  0.00    +0.093 C 
BRANCH  26  27
ATOM     27  C   LIG    1        3.258  -1.180   2.367  0.00  0.00    -0.006 A 
ATOM     28  C   LIG    1        4.637  -0.980   2.225  0.00  0.00    +0.130 A 
ATOM     29  F   LIG    1        5.391  -1.910   1.623  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1        5.258   0.165   2.711  0.00  0.00    +0.077 A 
ATOM     31  C   LIG    1        4.487   1.127   3.346  0.00  0.00    +0.126 A 
ATOM     32  F   LIG    1        5.073   2.236   3.818  0.00  0.00    -0.205 F 
ATOM     33  C   LIG    1        3.116   0.960   3.504  0.00  0.00    +0.039 A 
ATOM     34  C   LIG    1        2.499  -0.193   3.015  0.00  0.00    +0.009 A 
ENDBRANCH  26  27
ENDBRANCH   7  26
TORSDOF 6