REMARK  Name = BDB053684
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.690   0.806   0.842  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1       -1.183   1.994   0.285  0.00  0.00    -0.264 N 
ATOM      3  C   LIG    1       -0.096   2.716  -0.212  0.00  0.00    +0.149 A 
ATOM      4  C   LIG    1        1.074   2.042   0.127  0.00  0.00    +0.035 A 
ATOM      5  C   LIG    1        2.303   2.642  -0.211  0.00  0.00    +0.014 A 
ATOM      6  C   LIG    1        2.280   3.864  -0.873  0.00  0.00    +0.020 A 
ATOM      7  C   LIG    1        1.055   4.435  -1.163  0.00  0.00    +0.113 A 
ATOM      8  N   LIG    1       -0.147   3.909  -0.854  0.00  0.00    -0.237 NA
ATOM      9  C   LIG    1        0.700   0.843   0.791  0.00  0.00    +0.108 A 
ENDROOT
BRANCH   9  10
ATOM     10  C   LIG    1        1.603  -0.141   1.366  0.00  0.00    +0.252 C 
ATOM     11  N   LIG    1        2.386  -0.883   0.487  0.00  0.00    -0.295 N 
ATOM     12  C   LIG    1        2.253  -0.889  -0.974  0.00  0.00    +0.123 C 
ATOM     13  C   LIG    1        2.599  -2.264  -1.571  0.00  0.00    +0.100 C 
ATOM     14  N   LIG    1        3.954  -2.741  -1.247  0.00  0.00    -0.313 NA
ATOM     15  H   LIG    1        3.949  -3.761  -1.242  0.00  0.00    +0.122 HD
ATOM     16  C   LIG    1        4.430  -2.241   0.054  0.00  0.00    +0.100 C 
ATOM     17  C   LIG    1        3.326  -1.851   1.051  0.00  0.00    +0.123 C 
ATOM     18  O   LIG    1        1.682  -0.280   2.584  0.00  0.00    -0.270 OA
ENDBRANCH   9  10
BRANCH   2  19
ATOM     19  C   LIG    1       -2.566   2.383   0.208  0.00  0.00    +0.051 A 
ATOM     20  C   LIG    1       -3.493   1.933   1.161  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1       -4.839   2.305   1.079  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -5.275   3.133   0.050  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -4.366   3.594  -0.897  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -3.019   3.226  -0.818  0.00  0.00    +0.026 A 
ENDBRANCH   2  19
BRANCH   1  25
ATOM     25  O   LIG    1       -1.542  -0.136   1.278  0.00  0.00    -0.435 OA
BRANCH  25  28
ATOM     26  C   LIG    1       -1.869  -1.289  -1.377  0.00  0.00    +0.047 C 
ATOM     27  C   LIG    1       -1.403  -2.066  -0.179  0.00  0.00    -0.005 A 
ATOM     28  C   LIG    1       -1.267  -1.467   1.084  0.00  0.00    +0.168 A 
ATOM     29  C   LIG    1       -0.938  -2.243   2.197  0.00  0.00    +0.166 A 
ATOM     30  F   LIG    1       -0.897  -1.691   3.418  0.00  0.00    -0.202 F 
ATOM     31  C   LIG    1       -0.654  -3.597   2.062  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1       -0.727  -4.191   0.804  0.00  0.00    +0.003 A 
ATOM     33  C   LIG    1       -1.107  -3.433  -0.307  0.00  0.00    +0.007 A 
ENDBRANCH  25  28
ENDBRANCH   1  25
TORSDOF 4