REMARK  Name = BDB061071
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.856   4.354  -0.470  0.00  0.00    -0.273 OA
ATOM      2  C   LIG    1       -1.596   3.334   0.164  0.00  0.00    +0.240 C 
ATOM      3  C   LIG    1       -0.514   2.342  -0.216  0.00  0.00    +0.217 C 
ATOM      4  C   LIG    1       -1.061   1.211  -1.099  0.00  0.00    +0.148 C 
ATOM      5  N   LIG    1        0.193   0.865  -1.779  0.00  0.00    -0.254 N 
ATOM      6  C   LIG    1        0.891   2.034  -1.856  0.00  0.00    +0.186 C 
ATOM      7  C   LIG    1        0.545  -0.447  -1.959  0.00  0.00    +0.189 C 
ATOM      8  N   LIG    1       -0.100  -1.475  -1.485  0.00  0.00    -0.226 NA
ATOM      9  C   LIG    1       -1.204  -1.219  -0.719  0.00  0.00    +0.120 C 
ATOM     10  C   LIG    1       -1.723   0.002  -0.500  0.00  0.00    +0.001 C 
ATOM     11  C   LIG    1       -3.079   0.108   0.097  0.00  0.00    -0.014 A 
ATOM     12  C   LIG    1       -3.413   0.895   1.217  0.00  0.00    -0.023 A 
ATOM     13  C   LIG    1       -4.751   0.924   1.669  0.00  0.00    +0.006 A 
ATOM     14  C   LIG    1       -5.747   0.185   1.036  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -5.428  -0.586  -0.071  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -2.422   1.765   1.940  0.00  0.00    +0.140 C 
ATOM     17  C   LIG    1       -4.112  -0.619  -0.536  0.00  0.00    +0.008 A 
ATOM     18  N   LIG    1        0.572   3.007  -1.047  0.00  0.00    -0.261 NA
ATOM     19  N   LIG    1       -2.329   3.053   1.287  0.00  0.00    -0.309 N 
ATOM     20  H   LIG    1       -3.081   3.716   1.436  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   7  21
ATOM     21  N   LIG    1        1.672  -0.710  -2.692  0.00  0.00    -0.312 N 
ATOM     22  H   LIG    1        1.625  -1.698  -2.942  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1        3.006  -0.480  -2.142  0.00  0.00    +0.142 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.345  -1.455  -1.050  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1        3.217  -1.152   0.301  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1        2.707   0.069   0.970  0.00  0.00    +0.080 C 
ATOM     27  C   LIG    1        3.167  -0.221   2.398  0.00  0.00    +0.234 C 
ATOM     28  O   LIG    1        3.326  -1.648   2.559  0.00  0.00    -0.491 OA
ATOM     29  C   LIG    1        3.516  -2.097   1.277  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1        3.942  -3.372   0.966  0.00  0.00    +0.049 A 
ATOM     31  C   LIG    1        4.080  -3.698  -0.383  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1        3.783  -2.748  -1.369  0.00  0.00    +0.129 A 
ATOM     33  F   LIG    1        3.916  -3.100  -2.656  0.00  0.00    -0.205 F 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   7  21
TORSDOF 3