REMARK  Name = BDB045199
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.753   0.220   0.109  0.00  0.00    +0.023 A 
ATOM      2  C   LIG    1       -4.878  -0.357   1.040  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1       -3.485  -0.220   0.905  0.00  0.00    -0.017 A 
ATOM      4  C   LIG    1       -2.963   0.512  -0.188  0.00  0.00    -0.014 A 
ATOM      5  C   LIG    1       -1.574   0.651  -0.325  0.00  0.00    +0.055 A 
ATOM      6  C   LIG    1       -0.722   0.054   0.604  0.00  0.00    +0.133 A 
ATOM      7  C   LIG    1       -1.222  -0.653   1.692  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1       -3.846   1.086  -1.113  0.00  0.00    +0.009 A 
ATOM      9  C   LIG    1       -2.602  -0.794   1.837  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -5.229   0.942  -0.967  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1  12
ATOM     11  N   LIG    1       -8.146   0.662  -0.694  0.00  0.00    -0.125 NA
ATOM     12  C   LIG    1       -7.213   0.068   0.264  0.00  0.00    +0.203 C 
ATOM     13  N   LIG    1       -7.787  -0.681   1.381  0.00  0.00    -0.125 NA
ENDBRANCH   1  12
BRANCH   6  14
ATOM     14  O   LIG    1        0.662   0.227   0.513  0.00  0.00    -0.422 OA
BRANCH  14  15
ATOM     15  C   LIG    1        1.255  -0.451  -0.535  0.00  0.00    +0.344 C 
ATOM     16  O   LIG    1        0.706  -1.171  -1.355  0.00  0.00    -0.245 OA
BRANCH  15  17
ATOM     17  C   LIG    1        2.722  -0.186  -0.540  0.00  0.00    +0.060 A 
ATOM     18  C   LIG    1        3.500  -0.808  -1.527  0.00  0.00    +0.017 A 
ATOM     19  C   LIG    1        4.880  -0.592  -1.579  0.00  0.00    +0.028 A 
ATOM     20  C   LIG    1        5.503   0.233  -0.640  0.00  0.00    +0.068 A 
ATOM     21  C   LIG    1        4.726   0.870   0.331  0.00  0.00    +0.028 A 
ATOM     22  C   LIG    1        3.344   0.659   0.389  0.00  0.00    +0.017 A 
BRANCH  20  23
ATOM     23  N   LIG    1        6.881   0.469  -0.708  0.00  0.00    -0.209 NA
ATOM     24  C   LIG    1        7.687  -0.316  -0.068  0.00  0.00    +0.289 C 
ATOM     25  N   LIG    1        7.255  -1.456   0.742  0.00  0.00    -0.104 NA
ATOM     26  N   LIG    1        9.118  -0.045  -0.159  0.00  0.00    -0.104 NA
ENDBRANCH  20  23
ENDBRANCH  15  17
ENDBRANCH  14  15
ENDBRANCH   6  14
TORSDOF 5