REMARK  Name = BDB005062
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.099  -0.430   0.502  0.00  0.00    -0.324 N 
ATOM      2  H   LIG    1       -0.958   0.435   1.016  0.00  0.00    +0.148 HD
ENDROOT
BRANCH   1   6
ATOM      3  C   LIG    1       -5.459   1.081  -0.977  0.00  0.00    +0.063 A 
ATOM      4  C   LIG    1       -4.648   0.080  -0.401  0.00  0.00    +0.088 A 
ATOM      5  C   LIG    1       -3.273   0.356  -0.266  0.00  0.00    +0.041 A 
ATOM      6  C   LIG    1       -2.481  -0.650   0.326  0.00  0.00    +0.130 A 
ATOM      7  N   LIG    1       -2.991  -1.832   0.705  0.00  0.00    -0.220 NA
ATOM      8  C   LIG    1       -4.299  -2.002   0.527  0.00  0.00    +0.223 A 
ATOM      9  C   LIG    1       -2.744   1.591  -0.722  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -3.560   2.560  -1.289  0.00  0.00    +0.002 A 
ATOM     11  N   LIG    1       -5.148  -1.108   0.008  0.00  0.00    -0.235 NA
ATOM     12  C   LIG    1       -4.916   2.306  -1.411  0.00  0.00    +0.015 A 
BRANCH   3  16
ATOM     13  N   LIG    1       -7.530  -0.230  -0.768  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1       -8.522  -0.349  -0.913  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1       -6.982  -0.983  -0.364  0.00  0.00    +0.145 HD
ATOM     16  C   LIG    1       -6.936   0.928  -1.172  0.00  0.00    +0.244 C 
ATOM     17  O   LIG    1       -7.612   1.815  -1.683  0.00  0.00    -0.270 OA
ENDBRANCH   3  16
ENDBRANCH   1   6
BRANCH   1  18
ATOM     18  C   LIG    1       -0.368  -1.525   1.130  0.00  0.00    +0.138 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.075  -1.109   1.296  0.00  0.00    -0.029 A 
ATOM     20  C   LIG    1        1.895  -0.932   0.167  0.00  0.00    +0.028 A 
ATOM     21  C   LIG    1        3.239  -0.535   0.276  0.00  0.00    +0.034 A 
ATOM     22  C   LIG    1        3.744  -0.315   1.560  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1        2.943  -0.483   2.695  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1        1.614  -0.876   2.565  0.00  0.00    +0.005 A 
BRANCH  21  25
ATOM     25  N   LIG    1        3.985  -0.377  -0.895  0.00  0.00    -0.284 N 
ATOM     26  H   LIG    1        3.518  -0.580  -1.767  0.00  0.00    +0.155 HD
BRANCH  25  27
ATOM     27  C   LIG    1        5.296  -0.001  -1.170  0.00  0.00    +0.219 A 
ATOM     28  N   LIG    1        6.165   0.327  -0.202  0.00  0.00    -0.223 NA
ATOM     29  C   LIG    1        7.410   0.676  -0.577  0.00  0.00    +0.116 A 
ATOM     30  C   LIG    1        7.826   0.713  -1.883  0.00  0.00    +0.039 A 
ATOM     31  C   LIG    1        6.873   0.364  -2.804  0.00  0.00    +0.116 A 
ATOM     32  N   LIG    1        5.616   0.007  -2.477  0.00  0.00    -0.223 NA
ENDBRANCH  25  27
ENDBRANCH  21  25
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 6