REMARK  Name = BDB062269
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.886   0.267  -0.750  0.00  0.00    +0.051 A 
ATOM      2  C   LIG    1       -3.587   0.171   0.444  0.00  0.00    -0.012 A 
ATOM      3  C   LIG    1       -3.068  -0.294   1.764  0.00  0.00    +0.056 C 
ATOM      4  C   LIG    1       -4.122  -1.074   2.542  0.00  0.00    +0.109 C 
ATOM      5  N   LIG    1       -5.156  -0.228   3.107  0.00  0.00    -0.311 N 
ATOM      6  H   LIG    1       -5.375  -0.352   4.089  0.00  0.00    +0.149 HD
ATOM      7  C   LIG    1       -6.127   0.492   2.462  0.00  0.00    +0.245 C 
ATOM      8  C   LIG    1       -6.091   0.752   1.001  0.00  0.00    +0.049 A 
ATOM      9  C   LIG    1       -7.274   1.221   0.397  0.00  0.00    +0.052 A 
ATOM     10  C   LIG    1       -7.305   1.527  -0.954  0.00  0.00    +0.126 A 
ATOM     11  F   LIG    1       -8.447   1.967  -1.499  0.00  0.00    -0.205 F 
ATOM     12  C   LIG    1       -6.180   1.397  -1.761  0.00  0.00    +0.064 A 
ATOM     13  C   LIG    1       -5.007   0.939  -1.154  0.00  0.00    +0.051 A 
ATOM     14  O   LIG    1       -7.060   0.932   3.133  0.00  0.00    -0.270 OA
ATOM     15  C   LIG    1       -4.931   0.605   0.202  0.00  0.00    +0.016 A 
ATOM     16  N   LIG    1       -3.762   0.736  -1.697  0.00  0.00    -0.354 N 
ATOM     17  H   LIG    1       -3.523   0.895  -2.666  0.00  0.00    +0.166 HD
ENDROOT
BRANCH   1  21
ATOM     18  C   LIG    1        1.170  -0.640  -1.753  0.00  0.00    -0.033 A 
ATOM     19  C   LIG    1        0.286  -1.659  -1.372  0.00  0.00    +0.005 A 
ATOM     20  C   LIG    1       -1.039  -1.361  -1.039  0.00  0.00    +0.010 A 
ATOM     21  C   LIG    1       -1.501  -0.042  -1.084  0.00  0.00    -0.001 A 
ATOM     22  C   LIG    1       -0.624   0.977  -1.470  0.00  0.00    +0.010 A 
ATOM     23  C   LIG    1        0.699   0.680  -1.803  0.00  0.00    +0.005 A 
BRANCH  18  24
ATOM     24  C   LIG    1        2.603  -0.961  -2.126  0.00  0.00    +0.119 C 
BRANCH  24  30
ATOM     25  C   LIG    1        7.078   0.209   2.518  0.00  0.00    +0.109 C 
ATOM     26  C   LIG    1        7.162   0.321   1.016  0.00  0.00    +0.213 C 
ATOM     27  N   LIG    1        5.994   0.097   0.299  0.00  0.00    -0.299 N 
ATOM     28  C   LIG    1        4.659   0.127   0.905  0.00  0.00    +0.123 C 
ATOM     29  C   LIG    1        3.611  -0.637   0.072  0.00  0.00    +0.103 C 
ATOM     30  N   LIG    1        3.592  -0.204  -1.341  0.00  0.00    -0.295 NA
ATOM     31  C   LIG    1        4.942  -0.386  -1.917  0.00  0.00    +0.103 C 
ATOM     32  C   LIG    1        6.021   0.384  -1.136  0.00  0.00    +0.123 C 
ATOM     33  O   LIG    1        8.236   0.584   0.475  0.00  0.00    -0.276 OA
ENDBRANCH  24  30
ENDBRANCH  18  24
ENDBRANCH   1  21
TORSDOF 3