REMARK  Name = BDB004982
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.381  -1.700  -0.760  0.00  0.00    -0.324 N 
ATOM      2  H   LIG    1       -0.682  -1.085  -1.166  0.00  0.00    +0.148 HD
ENDROOT
BRANCH   1   6
ATOM      3  C   LIG    1       -4.774   1.613  -1.764  0.00  0.00    +0.063 A 
ATOM      4  C   LIG    1       -4.185   0.710  -0.854  0.00  0.00    +0.088 A 
ATOM      5  C   LIG    1       -3.081  -0.042  -1.302  0.00  0.00    +0.041 A 
ATOM      6  C   LIG    1       -2.494  -0.926  -0.370  0.00  0.00    +0.130 A 
ATOM      7  N   LIG    1       -2.990  -1.087   0.866  0.00  0.00    -0.220 NA
ATOM      8  C   LIG    1       -4.041  -0.339   1.193  0.00  0.00    +0.223 A 
ATOM      9  C   LIG    1       -2.618   0.102  -2.636  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -3.215   0.992  -3.517  0.00  0.00    +0.002 A 
ATOM     11  N   LIG    1       -4.651   0.554   0.406  0.00  0.00    -0.235 NA
ATOM     12  C   LIG    1       -4.289   1.750  -3.080  0.00  0.00    +0.015 A 
BRANCH   3  16
ATOM     13  N   LIG    1       -6.454   2.416  -0.157  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1       -6.072   1.768   0.526  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1       -7.258   2.980   0.077  0.00  0.00    +0.145 HD
ATOM     16  C   LIG    1       -5.944   2.483  -1.419  0.00  0.00    +0.244 C 
ATOM     17  O   LIG    1       -6.443   3.244  -2.240  0.00  0.00    -0.270 OA
ENDBRANCH   3  16
ENDBRANCH   1   6
BRANCH   1  18
ATOM     18  C   LIG    1       -0.773  -2.560   0.252  0.00  0.00    +0.138 C 
BRANCH  18  19
ATOM     19  C   LIG    1        0.374  -1.851   0.935  0.00  0.00    -0.029 A 
ATOM     20  C   LIG    1        1.651  -1.833   0.347  0.00  0.00    +0.028 A 
ATOM     21  C   LIG    1        2.725  -1.153   0.941  0.00  0.00    +0.033 A 
ATOM     22  C   LIG    1        2.497  -0.484   2.147  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1        1.233  -0.489   2.742  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1        0.176  -1.164   2.137  0.00  0.00    +0.005 A 
BRANCH  21  25
ATOM     25  N   LIG    1        3.968  -1.172   0.281  0.00  0.00    -0.299 N 
ATOM     26  H   LIG    1        4.272  -2.117   0.059  0.00  0.00    +0.154 HD
BRANCH  25  27
ATOM     27  C   LIG    1        5.120  -0.404   0.474  0.00  0.00    +0.123 A 
ATOM     28  N   LIG    1        6.292  -1.057   0.326  0.00  0.00    -0.240 NA
ATOM     29  C   LIG    1        7.433  -0.348   0.481  0.00  0.00    +0.113 A 
ATOM     30  C   LIG    1        7.468   1.005   0.767  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1        6.259   1.673   0.893  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1        5.071   0.962   0.739  0.00  0.00    +0.044 A 
ENDBRANCH  25  27
ENDBRANCH  21  25
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 6