REMARK  Name = BDB049424
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.554  -1.771   1.336  0.00  0.00    -0.236 N 
ATOM      2  C   LIG    1       -1.441  -2.489   0.947  0.00  0.00    +0.100 A 
ATOM      3  C   LIG    1       -1.912  -3.805   0.989  0.00  0.00    +0.131 A 
ATOM      4  C   LIG    1       -1.070  -4.857   0.641  0.00  0.00    +0.143 A 
ATOM      5  N   LIG    1        0.205  -4.619   0.255  0.00  0.00    -0.253 NA
ATOM      6  C   LIG    1        0.668  -3.362   0.208  0.00  0.00    +0.073 A 
ATOM      7  C   LIG    1        1.978  -3.173  -0.203  0.00  0.00    +0.029 A 
ATOM      8  C   LIG    1        2.554  -1.901  -0.288  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1        1.820  -0.762   0.053  0.00  0.00    -0.017 A 
ATOM     10  C   LIG    1        0.494  -0.938   0.475  0.00  0.00    +0.020 A 
ATOM     11  N   LIG    1       -3.212  -3.835   1.395  0.00  0.00    -0.128 NA
ATOM     12  C   LIG    1       -0.097  -2.219   0.551  0.00  0.00    +0.028 A 
ATOM     13  N   LIG    1       -3.596  -2.592   1.612  0.00  0.00    -0.064 NA
ENDROOT
BRANCH   9  14
ATOM     14  C   LIG    1        2.410   0.583  -0.034  0.00  0.00    -0.016 A 
ATOM     15  C   LIG    1        2.911   1.061  -1.264  0.00  0.00    +0.040 A 
ATOM     16  C   LIG    1        3.454   2.352  -1.322  0.00  0.00    +0.110 A 
ATOM     17  C   LIG    1        3.484   3.119  -0.169  0.00  0.00    +0.155 A 
ATOM     18  O   LIG    1        4.052   4.320  -0.482  0.00  0.00    -0.442 OA
ATOM     19  C   LIG    1        4.332   4.204  -1.812  0.00  0.00    +0.309 A 
ATOM     20  C   LIG    1        3.011   2.707   1.067  0.00  0.00    +0.049 A 
ATOM     21  N   LIG    1        3.999   3.058  -2.365  0.00  0.00    -0.216 NA
ATOM     22  C   LIG    1        2.470   1.413   1.107  0.00  0.00    +0.012 A 
ENDBRANCH   9  14
BRANCH   1  24
ATOM     23  C   LIG    1       -2.116   0.169   2.792  0.00  0.00    +0.038 C 
ATOM     24  C   LIG    1       -2.800  -0.332   1.514  0.00  0.00    +0.136 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -2.602   0.475   0.232  0.00  0.00    -0.023 A 
ATOM     26  C   LIG    1       -1.990   1.744   0.231  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1       -1.835   2.466  -0.956  0.00  0.00    +0.038 A 
ATOM     28  C   LIG    1       -2.312   1.940  -2.149  0.00  0.00    +0.123 A 
ATOM     29  F   LIG    1       -2.166   2.636  -3.283  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1       -2.948   0.708  -2.177  0.00  0.00    +0.038 A 
ATOM     31  C   LIG    1       -3.101  -0.017  -0.993  0.00  0.00    +0.008 A 
ENDBRANCH  24  25
ENDBRANCH   1  24
TORSDOF 3