REMARK  Name = BDB044059
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -6.535   0.627  -0.750  0.00  0.00    +0.079 A 
ATOM      2  C   LIG    1       -5.733  -0.016   0.177  0.00  0.00    +0.152 A 
ATOM      3  O   LIG    1       -4.386  -0.279   0.069  0.00  0.00    -0.451 OA
ATOM      4  C   LIG    1       -4.026  -0.961   1.222  0.00  0.00    +0.176 C 
ATOM      5  C   LIG    1       -5.202  -1.139   2.113  0.00  0.00    +0.231 C 
ATOM      6  O   LIG    1       -5.276  -1.683   3.193  0.00  0.00    -0.283 OA
ATOM      7  C   LIG    1       -2.801  -1.402   1.544  0.00  0.00    +0.058 C 
ATOM      8  C   LIG    1       -6.277  -0.498   1.367  0.00  0.00    +0.068 A 
ATOM      9  C   LIG    1       -7.611  -0.359   1.697  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1       -8.428   0.303   0.780  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -7.897   0.793  -0.432  0.00  0.00    +0.017 A 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1       -1.569  -1.258   0.753  0.00  0.00    -0.018 A 
ATOM     13  C   LIG    1       -0.341  -1.241   1.433  0.00  0.00    +0.053 A 
ATOM     14  C   LIG    1        0.876  -1.136   0.748  0.00  0.00    +0.121 A 
ATOM     15  C   LIG    1        0.867  -1.048  -0.642  0.00  0.00    +0.045 A 
ATOM     16  C   LIG    1       -0.344  -1.078  -1.335  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1       -1.553  -1.190  -0.643  0.00  0.00    +0.008 A 
BRANCH  14  18
ATOM     18  O   LIG    1        1.979  -1.117   1.555  0.00  0.00    -0.491 OA
BRANCH  18  19
ATOM     19  C   LIG    1        3.275  -1.121   0.947  0.00  0.00    +0.244 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.749   0.315   0.661  0.00  0.00    +0.125 C 
BRANCH  20  21
ATOM     21  N   LIG    1        5.014   0.389  -0.090  0.00  0.00    -0.299 NA
ATOM     22  C   LIG    1        5.209   1.751  -0.626  0.00  0.00    +0.084 C 
ATOM     23  C   LIG    1        6.671   2.102  -0.936  0.00  0.00    +0.015 C 
ATOM     24  C   LIG    1        7.469   0.868  -1.325  0.00  0.00    +0.002 C 
ATOM     25  C   LIG    1        7.399  -0.195  -0.226  0.00  0.00    +0.015 C 
ATOM     26  C   LIG    1        6.175  -0.045   0.688  0.00  0.00    +0.084 C 
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  14  18
ENDBRANCH   7  12
BRANCH   1  30
ATOM     27  N   LIG    1       -6.808   1.213  -3.093  0.00  0.00    -0.325 N 
ATOM     28  H   LIG    1       -6.373   1.450  -3.977  0.00  0.00    +0.145 HD
ATOM     29  H   LIG    1       -7.688   0.719  -3.130  0.00  0.00    +0.145 HD
ATOM     30  C   LIG    1       -5.964   1.136  -2.019  0.00  0.00    +0.245 C 
ATOM     31  O   LIG    1       -4.789   1.458  -2.127  0.00  0.00    -0.270 OA
ENDBRANCH   1  30
TORSDOF 6