REMARK  Name = BDB054494
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.773  -2.849  -0.436  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1       -1.622  -2.080  -0.643  0.00  0.00    +0.072 A 
ATOM      3  C   LIG    1       -1.535  -0.804  -0.055  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1       -2.563  -0.296   0.729  0.00  0.00    +0.008 A 
ATOM      5  C   LIG    1       -2.160   0.997   1.179  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1       -0.874   1.264   0.680  0.00  0.00    +0.072 A 
ATOM      7  C   LIG    1       -0.204   2.470   1.010  0.00  0.00    +0.068 A 
ATOM      8  N   LIG    1       -0.886   3.378   1.776  0.00  0.00    -0.258 NA
ATOM      9  C   LIG    1       -2.120   3.116   2.235  0.00  0.00    +0.112 A 
ATOM     10  C   LIG    1       -2.804   1.949   1.982  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1       -3.719  -1.080   0.927  0.00  0.00    +0.014 A 
ATOM     12  N   LIG    1       -0.540   0.162  -0.101  0.00  0.00    -0.338 N 
ATOM     13  C   LIG    1       -3.813  -2.351   0.342  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   7  14
ATOM     14  C   LIG    1        1.184   2.906   0.585  0.00  0.00    +0.034 C 
ATOM     15  C   LIG    1        1.097   3.835  -0.626  0.00  0.00    +0.014 C 
ATOM     16  C   LIG    1        1.948   3.587   1.726  0.00  0.00    +0.014 C 
ENDBRANCH   7  14
BRANCH   1  18
ATOM     17  C   LIG    1       -3.892  -4.901  -0.886  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1       -2.749  -4.072  -1.053  0.00  0.00    -0.495 OA
ENDBRANCH   1  18
BRANCH  12  19
ATOM     19  C   LIG    1        0.656  -0.005  -0.915  0.00  0.00    +0.122 C 
BRANCH  19  20
ATOM     20  C   LIG    1        1.774  -0.723  -0.159  0.00  0.00    +0.023 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.045  -0.803  -1.005  0.00  0.00    +0.017 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.168  -1.509  -0.249  0.00  0.00    +0.078 C 
BRANCH  22  23
ATOM     23  N   LIG    1        5.370  -1.560  -1.072  0.00  0.00    -0.330 NA
ATOM     24  H   LIG    1        5.191  -2.111  -1.911  0.00  0.00    +0.118 HD
ATOM     25  H   LIG    1        6.107  -2.048  -0.565  0.00  0.00    +0.118 HD
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  12  19
TORSDOF 7