REMARK  Name = BDB008897
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.927  -0.019   0.527  0.00  0.00    -0.033 A 
ATOM      2  C   LIG    1        0.013  -0.350  -0.486  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1       -0.957  -1.346  -0.288  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -0.984  -2.032   0.933  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -0.085  -1.708   1.948  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        0.861  -0.704   1.748  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        1.955   1.074   0.314  0.00  0.00    +0.119 C 
BRANCH   7  12
ATOM      8  C   LIG    1        6.544   0.964  -1.442  0.00  0.00    +0.007 C 
ATOM      9  C   LIG    1        6.215   0.341  -0.083  0.00  0.00    -0.012 C 
ATOM     10  C   LIG    1        5.210  -0.809  -0.212  0.00  0.00    +0.018 C 
ATOM     11  C   LIG    1        3.783  -0.323  -0.482  0.00  0.00    +0.085 C 
ATOM     12  N   LIG    1        3.342   0.634   0.546  0.00  0.00    -0.298 NA
ATOM     13  C   LIG    1        4.237   1.798   0.599  0.00  0.00    +0.085 C 
ATOM     14  C   LIG    1        5.678   1.382   0.906  0.00  0.00    +0.018 C 
ENDBRANCH   7  12
ENDBRANCH   1   7
BRANCH   3  15
ATOM     15  C   LIG    1       -1.921  -1.699  -1.396  0.00  0.00    +0.092 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -3.380  -1.754  -0.950  0.00  0.00    +0.069 A 
ATOM     17  C   LIG    1       -4.105  -0.487  -0.621  0.00  0.00    -0.016 A 
ATOM     18  C   LIG    1       -3.434   0.851  -0.763  0.00  0.00    +0.037 C 
ATOM     19  C   LIG    1       -4.415   2.027  -0.728  0.00  0.00    +0.005 C 
ATOM     20  C   LIG    1       -5.440   1.851   0.386  0.00  0.00    +0.005 C 
ATOM     21  C   LIG    1       -6.236   0.558   0.199  0.00  0.00    +0.041 C 
ATOM     22  C   LIG    1       -5.377  -0.610  -0.202  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1       -6.005  -1.952  -0.112  0.00  0.00    +0.268 A 
ATOM     24  O   LIG    1       -7.168  -2.099   0.251  0.00  0.00    -0.266 OA
ATOM     25  N   LIG    1       -5.211  -3.009  -0.465  0.00  0.00    -0.243 N 
ATOM     26  H   LIG    1       -5.621  -3.935  -0.409  0.00  0.00    +0.192 HD
ATOM     27  N   LIG    1       -3.917  -2.936  -0.874  0.00  0.00    -0.175 NA
ENDBRANCH  15  16
ENDBRANCH   3  15
TORSDOF 4