REMARK  Name = BDB027065
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.952  -0.322  -0.818  0.00  0.00    +0.156 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.627   0.756   0.209  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1       -0.829   1.853  -0.159  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -0.509   2.845   0.768  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1       -0.977   2.752   2.077  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1       -1.765   1.669   2.459  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -2.087   0.675   1.534  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1   8
ATOM      8  N   LIG    1       -1.220  -1.593  -0.587  0.00  0.00    -0.303 NA
ATOM      9  H   LIG    1       -1.556  -2.016   0.279  0.00  0.00    +0.123 HD
BRANCH   8  10
ATOM     10  C   LIG    1        0.237  -1.478  -0.623  0.00  0.00    +0.086 C 
BRANCH  10  11
ATOM     11  C   LIG    1        0.880  -1.571   0.769  0.00  0.00    +0.050 C 
BRANCH  11  15
ATOM     12  C   LIG    1        5.113  -0.794   0.587  0.00  0.00    +0.037 A 
ATOM     13  C   LIG    1        4.233   0.229   0.953  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        2.863  -0.029   1.022  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1        2.366  -1.305   0.716  0.00  0.00    -0.046 A 
ATOM     16  C   LIG    1        3.256  -2.316   0.325  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1        4.626  -2.060   0.252  0.00  0.00    +0.013 A 
BRANCH  12  20
ATOM     18  C   LIG    1        8.644   0.321   1.429  0.00  0.00    +0.132 C 
ATOM     19  N   LIG    1        7.242  -0.021   1.590  0.00  0.00    -0.304 N 
ATOM     20  C   LIG    1        6.566  -0.533   0.482  0.00  0.00    +0.246 C 
ATOM     21  O   LIG    1        7.108  -0.769  -0.595  0.00  0.00    -0.270 OA
ATOM     22  C   LIG    1        6.767  -0.128   2.963  0.00  0.00    +0.132 C 
ENDBRANCH  12  20
ENDBRANCH  11  15
ENDBRANCH  10  11
ENDBRANCH   8  10
ENDBRANCH   1   8
BRANCH   1  23
ATOM     23  C   LIG    1       -3.481  -0.626  -0.840  0.00  0.00    +0.186 C 
ATOM     24  O   LIG    1       -3.951  -1.527  -0.135  0.00  0.00    -0.290 OA
BRANCH  23  25
ATOM     25  C   LIG    1       -4.356   0.198  -1.688  0.00  0.00    +0.044 A 
ATOM     26  C   LIG    1       -5.758  -0.002  -1.938  0.00  0.00    +0.010 A 
ATOM     27  C   LIG    1       -6.184   1.008  -2.802  0.00  0.00    +0.047 A 
ATOM     28  C   LIG    1       -7.504   1.111  -3.262  0.00  0.00    +0.026 A 
ATOM     29  C   LIG    1       -8.420   0.150  -2.827  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1       -8.031  -0.869  -1.962  0.00  0.00    +0.001 A 
ATOM     31  N   LIG    1       -5.095   1.802  -3.064  0.00  0.00    -0.360 N 
ATOM     32  H   LIG    1       -5.115   2.619  -3.658  0.00  0.00    +0.165 HD
ATOM     33  C   LIG    1       -6.708  -0.955  -1.512  0.00  0.00    +0.011 A 
ATOM     34  C   LIG    1       -3.993   1.328  -2.402  0.00  0.00    +0.095 A 
ENDBRANCH  23  25
ENDBRANCH   1  23
TORSDOF 8