REMARK  Name = BDB028314
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.358   1.336   0.462  0.00  0.00    +0.002 A 
ATOM      2  C   LIG    1        1.092   0.920   0.026  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1       -0.033   1.747   0.170  0.00  0.00    +0.001 A 
ATOM      4  C   LIG    1        0.181   2.985   0.776  0.00  0.00    +0.119 A 
ATOM      5  N   LIG    1        1.379   3.425   1.226  0.00  0.00    -0.262 NA
ATOM      6  C   LIG    1        2.433   2.596   1.054  0.00  0.00    +0.119 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.364   1.331  -0.293  0.00  0.00    -0.016 A 
ATOM      8  C   LIG    1       -1.936   0.120   0.144  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1       -3.207  -0.278  -0.297  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -3.914   0.535  -1.178  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1       -5.248   0.113  -1.633  0.00  0.00    +0.272 A 
ATOM     12  N   LIG    1       -5.702  -1.085  -1.140  0.00  0.00    -0.242 N 
ATOM     13  H   LIG    1       -6.622  -1.393  -1.444  0.00  0.00    +0.192 HD
ATOM     14  N   LIG    1       -5.038  -1.903  -0.280  0.00  0.00    -0.174 NA
ATOM     15  O   LIG    1       -5.905   0.800  -2.407  0.00  0.00    -0.266 OA
ATOM     16  C   LIG    1       -3.364   1.739  -1.625  0.00  0.00    +0.014 A 
ATOM     17  C   LIG    1       -3.856  -1.542   0.133  0.00  0.00    +0.083 A 
ATOM     18  C   LIG    1       -2.098   2.131  -1.184  0.00  0.00    +0.009 A 
BRANCH  17  19
ATOM     19  C   LIG    1       -3.099  -2.457   1.101  0.00  0.00    +0.136 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -3.875  -3.664   1.405  0.00  0.00    -0.325 NA
ATOM     21  H   LIG    1       -4.787  -3.363   1.758  0.00  0.00    +0.119 HD
ATOM     22  H   LIG    1       -4.113  -4.110   0.515  0.00  0.00    +0.119 HD
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   3   7
BRANCH   1  26
ATOM     23  C   LIG    1        5.848  -1.153   0.130  0.00  0.00    +0.053 A 
ATOM     24  C   LIG    1        5.248  -0.651  -1.029  0.00  0.00    +0.038 A 
ATOM     25  C   LIG    1        4.106   0.165  -0.944  0.00  0.00    +0.061 A 
ATOM     26  C   LIG    1        3.550   0.487   0.313  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        4.172  -0.028   1.466  0.00  0.00    +0.011 A 
ATOM     28  C   LIG    1        5.308  -0.839   1.377  0.00  0.00    +0.019 A 
BRANCH  23  30
ATOM     29  N   LIG    1        7.954  -2.658  -0.040  0.00  0.00    -0.191 NA
ATOM     30  C   LIG    1        7.013  -1.985   0.037  0.00  0.00    +0.099 C 
ENDBRANCH  23  30
BRANCH  25  31
ATOM     31  C   LIG    1        3.538   0.660  -2.168  0.00  0.00    +0.100 C 
ATOM     32  N   LIG    1        3.082   1.040  -3.165  0.00  0.00    -0.191 NA
ENDBRANCH  25  31
ENDBRANCH   1  26
TORSDOF 6