REMARK  Name = BDB039661
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.268  -0.528   1.742  0.00  0.00    -0.292 NA
ATOM      2  C   LIG    1       -0.020  -0.961   0.357  0.00  0.00    +0.077 C 
ATOM      3  C   LIG    1       -1.538  -1.154   0.024  0.00  0.00    +0.091 C 
ATOM      4  C   LIG    1       -1.275  -0.295  -1.243  0.00  0.00    +0.025 C 
ATOM      5  N   LIG    1       -2.506  -0.554   0.928  0.00  0.00    -0.323 N 
ATOM      6  C   LIG    1       -2.120  -0.433   2.346  0.00  0.00    +0.121 C 
ATOM      7  C   LIG    1       -0.045   0.302  -0.536  0.00  0.00    +0.022 C 
ATOM      8  C   LIG    1       -0.756  -1.081   2.637  0.00  0.00    +0.104 C 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -3.879  -0.388   0.632  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1       -4.472  -0.953  -0.507  0.00  0.00    +0.134 A 
ATOM     11  N   LIG    1       -5.777  -0.837  -0.868  0.00  0.00    -0.249 NA
ATOM     12  C   LIG    1       -6.557  -0.089  -0.044  0.00  0.00    +0.125 A 
ATOM     13  C   LIG    1       -6.087   0.530   1.102  0.00  0.00    +0.035 A 
ATOM     14  C   LIG    1       -4.738   0.378   1.433  0.00  0.00    +0.027 A 
BRANCH  12  15
ATOM     15  C   LIG    1       -7.999   0.046  -0.432  0.00  0.00    +0.262 C 
ATOM     16  N   LIG    1       -8.325  -0.574  -1.620  0.00  0.00    -0.313 N 
ATOM     17  H   LIG    1       -7.585  -1.123  -2.051  0.00  0.00    +0.149 HD
ATOM     18  C   LIG    1       -9.677  -0.664  -2.099  0.00  0.00    +0.128 C 
ATOM     19  O   LIG    1       -8.799   0.651   0.272  0.00  0.00    -0.269 OA
ENDBRANCH  12  15
ENDBRANCH   5   9
BRANCH   1  20
ATOM     20  C   LIG    1        1.609  -0.972   2.148  0.00  0.00    +0.121 C 
BRANCH  20  30
ATOM     21  C   LIG    1        6.654   1.301  -1.293  0.00  0.00    +0.019 A 
ATOM     22  C   LIG    1        6.576  -0.183  -1.500  0.00  0.00    +0.252 A 
ATOM     23  O   LIG    1        7.369  -0.781  -2.219  0.00  0.00    -0.268 OA
ATOM     24  N   LIG    1        5.573  -0.852  -0.847  0.00  0.00    -0.321 N 
ATOM     25  H   LIG    1        5.538  -1.851  -0.997  0.00  0.00    +0.169 HD
ATOM     26  C   LIG    1        4.635  -0.216  -0.026  0.00  0.00    +0.068 A 
ATOM     27  C   LIG    1        4.696   1.163   0.159  0.00  0.00    +0.088 A 
ATOM     28  N   LIG    1        3.833   1.856   0.930  0.00  0.00    -0.253 NA
ATOM     29  C   LIG    1        2.862   1.133   1.538  0.00  0.00    +0.116 A 
ATOM     30  C   LIG    1        2.716  -0.251   1.420  0.00  0.00    -0.013 A 
ATOM     31  C   LIG    1        3.633  -0.936   0.615  0.00  0.00    +0.034 A 
ATOM     32  C   LIG    1        5.747   1.918  -0.513  0.00  0.00    +0.038 A 
BRANCH  21  34
ATOM     33  C   LIG    1        9.097   1.889  -1.334  0.00  0.00    +0.009 C 
ATOM     34  C   LIG    1        7.745   2.041  -2.017  0.00  0.00    +0.037 C 
ENDBRANCH  21  34
ENDBRANCH  20  30
ENDBRANCH   1  20
TORSDOF 5