REMARK  Name = BDB041038
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.417  -1.111   0.290  0.00  0.00    +0.083 C 
ATOM      2  C   LIG    1       -1.020  -1.184  -0.301  0.00  0.00    +0.171 C 
ATOM      3  C   LIG    1       -1.762  -2.528  -0.053  0.00  0.00    +0.240 C 
ATOM      4  O   LIG    1       -2.993  -2.611  -0.048  0.00  0.00    -0.273 OA
ATOM      5  N   LIG    1       -1.008  -3.679  -0.004  0.00  0.00    -0.269 N 
ATOM      6  H   LIG    1       -1.511  -4.555   0.065  0.00  0.00    +0.156 HD
ATOM      7  C   LIG    1        0.356  -3.602   0.095  0.00  0.00    +0.127 A 
ATOM      8  N   LIG    1        1.241  -4.639   0.146  0.00  0.00    -0.253 N 
ATOM      9  C   LIG    1        0.964  -6.051   0.065  0.00  0.00    +0.174 C 
ATOM     10  N   LIG    1        2.513  -4.227   0.315  0.00  0.00    -0.175 NA
ATOM     11  C   LIG    1        2.424  -2.891   0.404  0.00  0.00    +0.066 A 
ATOM     12  C   LIG    1        3.644  -2.091   0.679  0.00  0.00    +0.068 C 
ATOM     13  C   LIG    1        1.087  -2.446   0.224  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1  17
ATOM     14  C   LIG    1        2.829   1.823  -1.831  0.00  0.00    +0.121 A 
ATOM     15  C   LIG    1        2.426   2.034  -0.512  0.00  0.00    +0.046 A 
ATOM     16  C   LIG    1        1.657   1.082   0.162  0.00  0.00    +0.008 A 
ATOM     17  C   LIG    1        1.278  -0.111  -0.472  0.00  0.00    -0.037 A 
ATOM     18  C   LIG    1        1.675  -0.308  -1.806  0.00  0.00    +0.008 A 
ATOM     19  C   LIG    1        2.448   0.648  -2.477  0.00  0.00    +0.046 A 
BRANCH  14  20
ATOM     20  O   LIG    1        3.578   2.832  -2.369  0.00  0.00    -0.492 OA
BRANCH  20  22
ATOM     21  C   LIG    1        4.877   3.868  -4.075  0.00  0.00    +0.048 C 
ATOM     22  C   LIG    1        4.054   2.649  -3.701  0.00  0.00    +0.225 C 
ENDBRANCH  20  22
ENDBRANCH  14  20
ENDBRANCH   1  17
BRANCH   2  23
ATOM     23  N   LIG    1       -1.896  -0.053   0.037  0.00  0.00    -0.299 N 
ATOM     24  H   LIG    1       -2.635   0.134  -0.629  0.00  0.00    +0.150 HD
ATOM     25  C   LIG    1       -2.174   0.281   1.346  0.00  0.00    +0.245 C 
ATOM     26  O   LIG    1       -1.636  -0.249   2.310  0.00  0.00    -0.270 OA
BRANCH  25  27
ATOM     27  C   LIG    1       -3.220   1.321   1.547  0.00  0.00    +0.037 A 
ATOM     28  C   LIG    1       -3.969   1.297   2.731  0.00  0.00    +0.016 A 
ATOM     29  C   LIG    1       -4.957   2.262   2.968  0.00  0.00    -0.050 A 
ATOM     30  C   LIG    1       -5.784   2.208   4.218  0.00  0.00    +0.044 C 
ATOM     31  C   LIG    1       -5.197   3.243   1.998  0.00  0.00    +0.003 A 
ATOM     32  C   LIG    1       -4.441   3.281   0.825  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1       -3.450   2.325   0.599  0.00  0.00    +0.013 A 
ENDBRANCH  25  27
ENDBRANCH   2  23
TORSDOF 5