REMARK  Name = BDB008981
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.238  -0.936  -1.618  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        0.907   0.330  -1.117  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1        0.001   1.167  -1.790  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -0.549   0.730  -3.001  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -0.222  -0.528  -3.506  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        0.663  -1.359  -2.816  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1        2.348  -3.660  -2.106  0.00  0.00    -0.274 OA
ATOM      8  C   LIG    1        2.637  -2.971  -1.127  0.00  0.00    +0.234 C 
ATOM      9  N   LIG    1        2.141  -1.705  -0.866  0.00  0.00    -0.284 N 
ATOM     10  H   LIG    1        2.512  -1.297  -0.010  0.00  0.00    +0.155 HD
BRANCH   8  11
ATOM     11  C   LIG    1        3.631  -3.456  -0.008  0.00  0.00    +0.142 C 
ATOM     12  N   LIG    1        3.730  -2.527   1.178  0.00  0.00    -0.306 NA
ATOM     13  H   LIG    1        3.190  -2.837   1.988  0.00  0.00    +0.123 HD
ATOM     14  C   LIG    1        5.172  -2.857   1.261  0.00  0.00    +0.083 C 
ATOM     15  C   LIG    1        5.136  -3.197  -0.234  0.00  0.00    +0.043 C 
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   3  16
ATOM     16  C   LIG    1       -0.344   2.532  -1.243  0.00  0.00    +0.092 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -0.781   2.510   0.219  0.00  0.00    +0.069 A 
ATOM     18  C   LIG    1       -2.129   1.972   0.585  0.00  0.00    -0.016 A 
ATOM     19  C   LIG    1       -3.088   1.499  -0.472  0.00  0.00    +0.037 C 
ATOM     20  C   LIG    1       -4.518   1.316   0.047  0.00  0.00    +0.005 C 
ATOM     21  C   LIG    1       -4.525   0.609   1.396  0.00  0.00    +0.005 C 
ATOM     22  C   LIG    1       -3.728   1.400   2.434  0.00  0.00    +0.041 C 
ATOM     23  C   LIG    1       -2.432   1.941   1.895  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1       -1.463   2.453   2.896  0.00  0.00    +0.268 A 
ATOM     25  O   LIG    1       -1.711   2.451   4.097  0.00  0.00    -0.266 OA
ATOM     26  N   LIG    1       -0.282   2.930   2.396  0.00  0.00    -0.243 N 
ATOM     27  H   LIG    1        0.393   3.287   3.064  0.00  0.00    +0.192 HD
ATOM     28  N   LIG    1        0.079   2.959   1.086  0.00  0.00    -0.175 NA
ENDBRANCH  16  17
ENDBRANCH   3  16
TORSDOF 4