REMARK  Name = BDB060695
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.232   0.322   0.162  0.00  0.00    +0.047 A 
ATOM      2  C   LIG    1       -2.564   0.733  -1.020  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1       -1.210   0.513  -1.077  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -0.823   0.925  -2.318  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1       -1.857   1.420  -2.963  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -0.484  -0.059  -0.028  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -1.103  -0.456   1.053  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1       -2.959   1.299  -2.142  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1       -2.469  -0.254   1.117  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1       -5.248  -1.459  -1.169  0.00  0.00    +0.066 C 
ATOM     11  C   LIG    1       -5.635  -0.375  -0.202  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1       -4.680   0.457   0.401  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1       -5.139   1.449   1.278  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1       -6.501   1.582   1.528  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -7.367   0.711   0.894  0.00  0.00    +0.111 A 
ATOM     16  N   LIG    1       -6.967  -0.259   0.046  0.00  0.00    -0.260 NA
ENDBRANCH   1  12
BRANCH   6  17
ATOM     17  N   LIG    1        0.877  -0.237  -0.128  0.00  0.00    -0.310 N 
ATOM     18  H   LIG    1        1.157  -0.886   0.606  0.00  0.00    +0.149 HD
BRANCH  17  19
ATOM     19  C   LIG    1        1.752   0.929  -0.060  0.00  0.00    +0.143 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.164   0.507  -0.335  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1        4.012   0.023   0.653  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1        3.808  -0.104   2.116  0.00  0.00    +0.080 C 
ATOM     23  C   LIG    1        5.030  -0.952   2.468  0.00  0.00    +0.234 C 
ATOM     24  O   LIG    1        6.034  -0.779   1.444  0.00  0.00    -0.490 OA
ATOM     25  C   LIG    1        5.316  -0.356   0.348  0.00  0.00    +0.145 A 
ATOM     26  C   LIG    1        5.833  -0.310  -0.942  0.00  0.00    +0.070 A 
ATOM     27  C   LIG    1        5.000   0.202  -1.935  0.00  0.00    +0.065 A 
ATOM     28  C   LIG    1        3.683   0.579  -1.635  0.00  0.00    +0.130 A 
ATOM     29  F   LIG    1        2.910   1.048  -2.626  0.00  0.00    -0.205 F 
BRANCH  26  30
ATOM     30  N   LIG    1        7.186  -0.558  -1.191  0.00  0.00    -0.355 N 
ATOM     31  H   LIG    1        7.393  -0.889  -2.127  0.00  0.00    +0.142 HD
ATOM     32  H   LIG    1        7.610  -1.129  -0.461  0.00  0.00    +0.142 HD
ENDBRANCH  26  30
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   6  17
TORSDOF 5