REMARK  Name = BDB060623
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.883  -0.169  -0.163  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1        0.613   1.157  -0.352  0.00  0.00    +0.034 A 
ATOM      3  C   LIG    1        1.506   2.326  -0.623  0.00  0.00    +0.066 C 
ATOM      4  C   LIG    1        0.440   3.306  -1.137  0.00  0.00    +0.105 C 
ATOM      5  N   LIG    1       -0.787   2.957  -0.403  0.00  0.00    -0.307 N 
ATOM      6  C   LIG    1       -1.982   3.658  -0.829  0.00  0.00    +0.135 C 
ATOM      7  C   LIG    1       -1.670   5.173  -0.747  0.00  0.00    +0.179 C 
ATOM      8  O   LIG    1       -0.453   5.540  -1.443  0.00  0.00    -0.376 OA
ATOM      9  C   LIG    1        0.688   4.800  -0.942  0.00  0.00    +0.182 C 
ATOM     10  C   LIG    1       -0.702   1.571  -0.258  0.00  0.00    +0.131 A 
ATOM     11  N   LIG    1       -1.719   0.752  -0.019  0.00  0.00    -0.212 NA
ATOM     12  C   LIG    1       -1.379  -0.538   0.157  0.00  0.00    +0.167 A 
ATOM     13  N   LIG    1       -0.122  -1.033   0.073  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   1  16
ATOM     14  C   LIG    1        2.533  -0.777   2.234  0.00  0.00    +0.030 C 
ATOM     15  C   LIG    1        2.591  -1.516   0.895  0.00  0.00    +0.097 C 
ATOM     16  N   LIG    1        2.222  -0.614  -0.238  0.00  0.00    -0.308 N 
ATOM     17  C   LIG    1        2.405  -1.307  -1.539  0.00  0.00    +0.135 C 
ATOM     18  C   LIG    1        3.849  -1.812  -1.661  0.00  0.00    +0.179 C 
ATOM     19  O   LIG    1        4.171  -2.708  -0.589  0.00  0.00    -0.376 OA
ATOM     20  C   LIG    1        4.034  -2.036   0.674  0.00  0.00    +0.182 C 
ENDBRANCH   1  16
BRANCH  12  21
ATOM     21  C   LIG    1       -2.471  -1.486   0.392  0.00  0.00    +0.064 A 
ATOM     22  C   LIG    1       -2.360  -2.729   1.008  0.00  0.00    +0.122 A 
ATOM     23  N   LIG    1       -3.426  -3.574   1.152  0.00  0.00    -0.213 NA
ATOM     24  C   LIG    1       -4.617  -3.166   0.721  0.00  0.00    +0.213 A 
ATOM     25  N   LIG    1       -4.835  -2.003   0.117  0.00  0.00    -0.222 NA
ATOM     26  C   LIG    1       -3.763  -1.191  -0.021  0.00  0.00    +0.128 A 
BRANCH  22  27
ATOM     27  C   LIG    1       -1.045  -3.220   1.581  0.00  0.00    +0.390 C 
ATOM     28  F   LIG    1       -0.500  -2.363   2.493  0.00  0.00    -0.202 F 
ATOM     29  F   LIG    1       -1.149  -4.413   2.245  0.00  0.00    -0.202 F 
ENDBRANCH  22  27
BRANCH  24  30
ATOM     30  N   LIG    1       -5.681  -4.025   0.868  0.00  0.00    -0.327 N 
ATOM     31  H   LIG    1       -6.390  -3.827   0.178  0.00  0.00    +0.145 HD
ATOM     32  H   LIG    1       -5.354  -4.977   0.951  0.00  0.00    +0.145 HD
ENDBRANCH  24  30
ENDBRANCH  12  21
TORSDOF 4