REMARK  Name = BDB008877
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.498  -0.000   1.711  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -1.586  -0.871   1.562  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -2.754  -0.695   2.320  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -2.799   0.345   3.260  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -1.711   1.204   3.423  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -0.561   1.034   2.651  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1        1.453   0.886   0.548  0.00  0.00    -0.310 N 
ATOM      8  H   LIG    1        1.098   1.807   0.765  0.00  0.00    +0.149 HD
ATOM      9  C   LIG    1        0.714  -0.231   0.878  0.00  0.00    +0.244 C 
ATOM     10  O   LIG    1        0.999  -1.362   0.501  0.00  0.00    -0.270 OA
BRANCH   7  11
ATOM     11  C   LIG    1        2.636   0.786  -0.289  0.00  0.00    +0.120 C 
BRANCH  11  12
ATOM     12  C   LIG    1        3.873   0.314   0.503  0.00  0.00    +0.103 C 
BRANCH  12  17
ATOM     13  C   LIG    1        8.394  -0.025  -0.693  0.00  0.00    +0.105 C 
ATOM     14  N   LIG    1        7.507   0.181  -1.839  0.00  0.00    -0.303 NA
ATOM     15  C   LIG    1        6.785   1.460  -1.719  0.00  0.00    +0.099 C 
ATOM     16  C   LIG    1        5.723   1.530  -0.587  0.00  0.00    +0.100 C 
ATOM     17  N   LIG    1        5.144   0.229  -0.224  0.00  0.00    -0.298 NA
ATOM     18  C   LIG    1        5.119  -0.684  -1.369  0.00  0.00    +0.100 C 
ATOM     19  C   LIG    1        6.536  -0.932  -1.958  0.00  0.00    +0.099 C 
ENDBRANCH  12  17
ENDBRANCH  11  12
ENDBRANCH   7  11
ENDBRANCH   1   9
BRANCH   3  20
ATOM     20  C   LIG    1       -3.924  -1.639   2.167  0.00  0.00    +0.092 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.405  -1.790   0.726  0.00  0.00    +0.069 A 
ATOM     22  C   LIG    1       -5.164  -0.676   0.075  0.00  0.00    -0.016 A 
ATOM     23  C   LIG    1       -5.514   0.573   0.834  0.00  0.00    +0.037 C 
ATOM     24  C   LIG    1       -6.574   1.430   0.135  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -6.286   1.549  -1.357  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -6.257   0.172  -2.021  0.00  0.00    +0.041 C 
ATOM     27  C   LIG    1       -5.520  -0.858  -1.209  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1       -5.185  -2.127  -1.903  0.00  0.00    +0.268 A 
ATOM     29  O   LIG    1       -5.505  -2.330  -3.070  0.00  0.00    -0.266 OA
ATOM     30  N   LIG    1       -4.508  -3.055  -1.159  0.00  0.00    -0.243 N 
ATOM     31  H   LIG    1       -4.261  -3.927  -1.615  0.00  0.00    +0.192 HD
ATOM     32  N   LIG    1       -4.108  -2.907   0.131  0.00  0.00    -0.175 NA
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 6