REMARK  Name = BDB014498
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.385  -2.453  -0.099  0.00  0.00    -0.272 OA
ATOM      2  C   LIG    1        1.951  -1.613   0.597  0.00  0.00    +0.251 C 
ATOM      3  N   LIG    1        1.359  -1.063   1.722  0.00  0.00    -0.310 N 
ATOM      4  H   LIG    1        1.722  -0.178   2.059  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -0.036  -1.331   2.030  0.00  0.00    +0.136 C 
BRANCH   5   6
ATOM      6  C   LIG    1       -0.972  -0.437   1.206  0.00  0.00    +0.145 C 
BRANCH   6   7
ATOM      7  O   LIG    1       -0.765   0.933   1.593  0.00  0.00    -0.389 OA
ATOM      8  H   LIG    1       -1.590   1.387   1.319  0.00  0.00    +0.210 HD
ENDBRANCH   6   7
BRANCH   6   9
ATOM      9  C   LIG    1       -2.450  -0.805   1.450  0.00  0.00    +0.117 C 
BRANCH   9  10
ATOM     10  N   LIG    1       -3.364   0.190   0.840  0.00  0.00    -0.295 NA
ATOM     11  C   LIG    1       -4.719   0.034   1.414  0.00  0.00    +0.120 C 
ATOM     12  C   LIG    1       -5.766   0.905   0.752  0.00  0.00    -0.030 A 
ATOM     13  C   LIG    1       -5.566   1.413  -0.543  0.00  0.00    -0.042 A 
ATOM     14  C   LIG    1       -6.562   2.191  -1.148  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1       -7.762   2.441  -0.482  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -7.972   1.922   0.793  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -4.257   1.175  -1.250  0.00  0.00    +0.051 C 
ATOM     18  C   LIG    1       -6.981   1.155   1.407  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1       -3.446   0.031  -0.625  0.00  0.00    +0.089 C 
ENDBRANCH   9  10
ENDBRANCH   6   9
ENDBRANCH   5   6
ENDBRANCH   3   5
BRANCH   2  20
ATOM     20  C   LIG    1        3.357  -1.070   0.328  0.00  0.00    +0.324 C 
BRANCH  20  21
ATOM     21  O   LIG    1        3.935  -1.707  -0.800  0.00  0.00    -0.481 OA
BRANCH  21  22
ATOM     22  C   LIG    1        5.214  -1.357  -1.169  0.00  0.00    +0.149 A 
ATOM     23  C   LIG    1        6.044  -0.381  -0.579  0.00  0.00    +0.131 A 
ATOM     24  C   LIG    1        7.339  -0.193  -1.138  0.00  0.00    +0.093 A 
ATOM     25  N   LIG    1        8.210   0.713  -0.652  0.00  0.00    -0.252 NA
ATOM     26  C   LIG    1        7.801   1.447   0.400  0.00  0.00    +0.131 A 
ATOM     27  C   LIG    1        6.555   1.285   0.958  0.00  0.00    +0.131 A 
ATOM     28  C   LIG    1        7.750  -0.953  -2.224  0.00  0.00    +0.030 A 
ATOM     29  C   LIG    1        6.921  -1.911  -2.797  0.00  0.00    +0.006 A 
ATOM     30  N   LIG    1        5.670   0.381   0.486  0.00  0.00    -0.248 NA
ATOM     31  C   LIG    1        5.656  -2.109  -2.268  0.00  0.00    +0.048 A 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 8