REMARK  Name = BDB042457
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.614   0.116  -0.251  0.00  0.00    -0.312 N 
ATOM      2  C   LIG    1        3.377   1.555  -0.025  0.00  0.00    +0.125 C 
ATOM      3  C   LIG    1        2.143   2.082  -0.783  0.00  0.00    +0.126 C 
ATOM      4  N   LIG    1        0.957   1.245  -0.590  0.00  0.00    -0.298 N 
ATOM      5  C   LIG    1       -0.281   1.844  -0.420  0.00  0.00    +0.216 C 
ATOM      6  O   LIG    1       -0.427   3.066  -0.454  0.00  0.00    -0.276 OA
ATOM      7  C   LIG    1        1.186  -0.206  -0.584  0.00  0.00    +0.126 C 
ATOM      8  C   LIG    1        2.602  -0.605  -1.039  0.00  0.00    +0.125 C 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1        7.535  -1.231  -0.726  0.00  0.00    +0.070 A 
ATOM     10  C   LIG    1        6.472  -1.706  -1.470  0.00  0.00    +0.131 A 
ATOM     11  N   LIG    1        5.194  -1.274  -1.327  0.00  0.00    -0.239 NA
ATOM     12  C   LIG    1        4.928  -0.314  -0.411  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1        5.955   0.198   0.386  0.00  0.00    +0.045 A 
ATOM     14  C   LIG    1        7.266  -0.257   0.227  0.00  0.00    +0.024 A 
BRANCH   9  16
ATOM     15  N   LIG    1        9.928  -2.143  -1.099  0.00  0.00    -0.191 NA
ATOM     16  C   LIG    1        8.854  -1.735  -0.931  0.00  0.00    +0.101 C 
ENDBRANCH   9  16
ENDBRANCH   1  12
BRANCH   5  17
ATOM     17  C   LIG    1       -1.460   0.912  -0.197  0.00  0.00    +0.102 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.744   1.689   0.102  0.00  0.00    +0.062 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.912   0.765   0.339  0.00  0.00    +0.022 A 
ATOM     20  N   LIG    1       -4.477   0.167  -0.767  0.00  0.00    -0.326 N 
ATOM     21  H   LIG    1       -4.114   0.365  -1.693  0.00  0.00    +0.169 HD
ATOM     22  C   LIG    1       -5.554  -0.694  -0.734  0.00  0.00    +0.258 A 
ATOM     23  O   LIG    1       -6.013  -1.199  -1.751  0.00  0.00    -0.267 OA
ATOM     24  C   LIG    1       -6.123  -0.978   0.598  0.00  0.00    +0.065 A 
ATOM     25  C   LIG    1       -5.556  -0.371   1.712  0.00  0.00    +0.078 A 
ATOM     26  N   LIG    1       -6.004  -0.571   2.975  0.00  0.00    -0.255 NA
ATOM     27  C   LIG    1       -7.060  -1.405   3.118  0.00  0.00    +0.111 A 
ATOM     28  C   LIG    1       -7.688  -2.052   2.061  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1       -7.209  -1.834   0.772  0.00  0.00    +0.017 A 
ATOM     30  C   LIG    1       -4.418   0.530   1.560  0.00  0.00    +0.049 A 
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   5  17
TORSDOF 5