REMARK  Name = BDB049068
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.914  -0.574  -0.761  0.00  0.00    -0.296 NA
ATOM      2  C   LIG    1       -3.966   0.656   0.036  0.00  0.00    +0.104 C 
ATOM      3  C   LIG    1       -2.502   1.163   0.210  0.00  0.00    +0.079 C 
ATOM      4  C   LIG    1       -1.724   0.262  -0.787  0.00  0.00    +0.051 C 
ATOM      5  C   LIG    1       -2.532  -1.042  -0.735  0.00  0.00    +0.094 C 
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1       -0.257  -0.006  -0.510  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1        0.227  -0.349   0.755  0.00  0.00    +0.006 A 
ATOM      8  C   LIG    1        1.592  -0.602   0.962  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1        2.533  -0.518  -0.074  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1        2.022  -0.213  -1.345  0.00  0.00    +0.023 A 
ATOM     11  C   LIG    1        0.661   0.042  -1.563  0.00  0.00    +0.006 A 
BRANCH   9  12
ATOM     12  N   LIG    1        3.897  -0.779   0.105  0.00  0.00    -0.319 N 
ATOM     13  C   LIG    1        4.851   0.162  -0.509  0.00  0.00    +0.128 C 
ATOM     14  C   LIG    1        6.183  -0.585  -0.707  0.00  0.00    +0.093 C 
ATOM     15  N   LIG    1        6.708  -1.060   0.577  0.00  0.00    -0.296 N 
ATOM     16  C   LIG    1        8.150  -1.190   0.693  0.00  0.00    +0.108 C 
ATOM     17  C   LIG    1        8.826   0.167   0.490  0.00  0.00    +0.019 C 
ATOM     18  C   LIG    1        8.101   1.065  -0.520  0.00  0.00    +0.003 C 
ATOM     19  C   LIG    1        5.862  -1.623   1.522  0.00  0.00    +0.233 C 
ATOM     20  O   LIG    1        6.291  -2.260   2.488  0.00  0.00    -0.274 OA
ATOM     21  C   LIG    1        7.220   0.260  -1.470  0.00  0.00    +0.024 C 
ATOM     22  C   LIG    1        4.351  -1.329   1.406  0.00  0.00    +0.201 C 
ENDBRANCH   9  12
ENDBRANCH   4   6
BRANCH   3  23
ATOM     23  N   LIG    1       -2.381   2.634   0.051  0.00  0.00    -0.304 NA
ATOM     24  C   LIG    1       -0.991   3.090   0.021  0.00  0.00    +0.104 C 
ATOM     25  C   LIG    1       -3.102   3.343   1.113  0.00  0.00    +0.104 C 
ENDBRANCH   3  23
BRANCH   1  26
ATOM     26  C   LIG    1       -4.881  -1.605  -0.386  0.00  0.00    +0.122 C 
BRANCH  26  29
ATOM     27  C   LIG    1       -6.952  -1.143   1.803  0.00  0.00    +0.044 C 
ATOM     28  C   LIG    1       -7.273  -0.982   0.342  0.00  0.00    -0.043 A 
ATOM     29  C   LIG    1       -6.316  -1.212  -0.671  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -6.718  -1.084  -2.011  0.00  0.00    +0.128 A 
ATOM     31  F   LIG    1       -5.850  -1.342  -3.002  0.00  0.00    -0.205 F 
ATOM     32  C   LIG    1       -8.013  -0.713  -2.358  0.00  0.00    +0.039 A 
ATOM     33  C   LIG    1       -8.947  -0.468  -1.359  0.00  0.00    +0.003 A 
ATOM     34  C   LIG    1       -8.581  -0.605  -0.020  0.00  0.00    +0.004 A 
ENDBRANCH  26  29
ENDBRANCH   1  26
TORSDOF 5