REMARK  Name = BDB045477
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.533  -0.582  -0.100  0.00  0.00    +0.008 C 
ATOM      2  C   LIG    1        1.272  -0.255  -0.049  0.00  0.00    +0.108 C 
ATOM      3  C   LIG    1        0.264  -1.306   0.113  0.00  0.00    +0.261 C 
ATOM      4  O   LIG    1        0.593  -2.490   0.201  0.00  0.00    -0.269 OA
ATOM      5  N   LIG    1       -1.065  -0.889   0.160  0.00  0.00    -0.206 N 
ATOM      6  C   LIG    1       -1.449   0.453   0.060  0.00  0.00    +0.320 C 
ATOM      7  O   LIG    1       -2.650   0.766   0.108  0.00  0.00    -0.251 OA
ATOM      8  N   LIG    1       -0.469   1.441  -0.094  0.00  0.00    -0.206 N 
ATOM      9  C   LIG    1        0.894   1.157  -0.155  0.00  0.00    +0.261 C 
ATOM     10  O   LIG    1        1.751   2.033  -0.291  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1  16
ATOM     11  C   LIG    1        5.685  -2.600  -0.115  0.00  0.00    +0.169 A 
ATOM     12  C   LIG    1        6.699  -1.611  -0.272  0.00  0.00    +0.220 A 
ATOM     13  O   LIG    1        7.949  -1.872  -0.328  0.00  0.00    -0.284 OA
ATOM     14  C   LIG    1        6.231  -0.283  -0.364  0.00  0.00    +0.055 A 
ATOM     15  C   LIG    1        4.876   0.063  -0.309  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1        3.919  -0.929  -0.156  0.00  0.00    -0.013 A 
ATOM     17  C   LIG    1        4.316  -2.259  -0.059  0.00  0.00    +0.058 A 
BRANCH  11  19
ATOM     18  C   LIG    1        5.205  -4.942   0.132  0.00  0.00    +0.253 C 
ATOM     19  O   LIG    1        6.158  -3.904  -0.025  0.00  0.00    -0.469 OA
ENDBRANCH  11  19
ENDBRANCH   1  16
BRANCH   5  20
ATOM     20  C   LIG    1       -2.042  -1.847   0.311  0.00  0.00    +0.128 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.046  -2.851   0.468  0.00  0.00    -0.019 A 
ATOM     22  C   LIG    1       -4.393  -2.489   0.521  0.00  0.00    +0.006 A 
ATOM     23  C   LIG    1       -5.372  -3.473   0.674  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -5.003  -4.815   0.775  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -3.656  -5.175   0.722  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -2.676  -4.193   0.568  0.00  0.00    +0.006 A 
ENDBRANCH  20  21
ENDBRANCH   5  20
BRANCH   8  27
ATOM     27  C   LIG    1       -0.865   2.755  -0.190  0.00  0.00    +0.128 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -1.266   4.122  -0.290  0.00  0.00    -0.019 A 
ATOM     29  C   LIG    1       -2.620   4.458  -0.235  0.00  0.00    +0.006 A 
ATOM     30  C   LIG    1       -3.010   5.795  -0.333  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -2.047   6.793  -0.487  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -0.694   6.457  -0.543  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -0.303   5.120  -0.445  0.00  0.00    +0.006 A 
ENDBRANCH  27  28
ENDBRANCH   8  27
TORSDOF 6