REMARK  Name = BDB039660
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.353   1.998  -0.275  0.00  0.00    -0.292 NA
ATOM      2  C   LIG    1       -0.719   2.949   0.067  0.00  0.00    +0.077 C 
ATOM      3  C   LIG    1       -2.174   2.480  -0.304  0.00  0.00    +0.091 C 
ATOM      4  C   LIG    1       -2.607   3.203   1.008  0.00  0.00    +0.025 C 
ATOM      5  N   LIG    1       -2.442   1.047  -0.241  0.00  0.00    -0.323 N 
ATOM      6  C   LIG    1       -1.322   0.140  -0.543  0.00  0.00    +0.121 C 
ATOM      7  C   LIG    1       -1.186   2.927   1.545  0.00  0.00    +0.022 C 
ATOM      8  C   LIG    1       -0.126   0.905  -1.123  0.00  0.00    +0.104 C 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -3.734   0.471  -0.219  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1       -3.973  -0.876   0.087  0.00  0.00    +0.134 A 
ATOM     11  N   LIG    1       -5.189  -1.479   0.132  0.00  0.00    -0.249 NA
ATOM     12  C   LIG    1       -6.258  -0.682  -0.134  0.00  0.00    +0.125 A 
ATOM     13  C   LIG    1       -6.152   0.665  -0.438  0.00  0.00    +0.035 A 
ATOM     14  C   LIG    1       -4.879   1.237  -0.475  0.00  0.00    +0.027 A 
BRANCH  12  15
ATOM     15  C   LIG    1       -7.607  -1.337  -0.090  0.00  0.00    +0.262 C 
ATOM     16  N   LIG    1       -7.577  -2.670   0.262  0.00  0.00    -0.313 N 
ATOM     17  H   LIG    1       -6.652  -3.082   0.359  0.00  0.00    +0.149 HD
ATOM     18  C   LIG    1       -8.748  -3.501   0.235  0.00  0.00    +0.128 C 
ATOM     19  O   LIG    1       -8.630  -0.718  -0.359  0.00  0.00    -0.269 OA
ENDBRANCH  12  15
ENDBRANCH   5   9
BRANCH   1  20
ATOM     20  C   LIG    1        1.217   1.611   0.838  0.00  0.00    +0.121 C 
BRANCH  20  30
ATOM     21  C   LIG    1        6.801  -1.461  -0.527  0.00  0.00    +0.019 A 
ATOM     22  C   LIG    1        5.979  -2.350   0.359  0.00  0.00    +0.252 A 
ATOM     23  O   LIG    1        6.372  -3.458   0.712  0.00  0.00    -0.268 OA
ATOM     24  N   LIG    1        4.758  -1.874   0.763  0.00  0.00    -0.321 N 
ATOM     25  H   LIG    1        4.223  -2.486   1.364  0.00  0.00    +0.169 HD
ATOM     26  C   LIG    1        4.256  -0.626   0.377  0.00  0.00    +0.068 A 
ATOM     27  C   LIG    1        5.011   0.198  -0.456  0.00  0.00    +0.088 A 
ATOM     28  N   LIG    1        4.605   1.413  -0.875  0.00  0.00    -0.253 NA
ATOM     29  C   LIG    1        3.387   1.820  -0.442  0.00  0.00    +0.116 A 
ATOM     30  C   LIG    1        2.553   1.069   0.389  0.00  0.00    -0.013 A 
ATOM     31  C   LIG    1        3.011  -0.186   0.809  0.00  0.00    +0.034 A 
ATOM     32  C   LIG    1        6.317  -0.265  -0.909  0.00  0.00    +0.038 A 
BRANCH  21  34
ATOM     33  C   LIG    1        9.200  -1.867   0.102  0.00  0.00    +0.009 C 
ATOM     34  C   LIG    1        8.136  -1.984  -0.981  0.00  0.00    +0.037 C 
ENDBRANCH  21  34
ENDBRANCH  20  30
ENDBRANCH   1  20
TORSDOF 5