REMARK  Name = BDB061386
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.452   5.221  -2.224  0.00  0.00    +0.088 C 
ATOM      2  C   LIG    1       -0.048   3.973  -1.561  0.00  0.00    +0.132 A 
ATOM      3  N   LIG    1       -0.640   4.120  -0.359  0.00  0.00    -0.215 NA
ATOM      4  C   LIG    1       -1.034   2.950   0.163  0.00  0.00    +0.146 A 
ATOM      5  C   LIG    1       -0.883   1.691  -0.395  0.00  0.00    +0.088 A 
ATOM      6  C   LIG    1       -1.467   0.760   0.517  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1       -1.936   1.487   1.599  0.00  0.00    +0.093 A 
ATOM      8  C   LIG    1       -0.220   1.662  -1.621  0.00  0.00    +0.228 A 
ATOM      9  N   LIG    1       -1.665   2.812   1.367  0.00  0.00    -0.345 N 
ATOM     10  H   LIG    1       -1.887   3.586   1.976  0.00  0.00    +0.167 HD
ATOM     11  N   LIG    1        0.175   2.810  -2.212  0.00  0.00    -0.198 NA
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1       -1.598  -0.682   0.425  0.00  0.00    -0.011 A 
ATOM     13  C   LIG    1       -1.120  -1.507   1.444  0.00  0.00    +0.051 A 
ATOM     14  C   LIG    1       -1.248  -2.881   1.306  0.00  0.00    +0.117 A 
ATOM     15  N   LIG    1       -1.803  -3.459   0.229  0.00  0.00    -0.241 NA
ATOM     16  C   LIG    1       -2.269  -2.642  -0.741  0.00  0.00    +0.113 A 
ATOM     17  C   LIG    1       -2.192  -1.263  -0.692  0.00  0.00    +0.028 A 
BRANCH  14  18
ATOM     18  N   LIG    1       -0.750  -3.742   2.282  0.00  0.00    -0.343 N 
ATOM     19  H   LIG    1       -1.005  -4.684   1.995  0.00  0.00    +0.144 HD
ATOM     20  H   LIG    1       -1.121  -3.516   3.197  0.00  0.00    +0.144 HD
ENDBRANCH  14  18
ENDBRANCH   6  12
BRANCH   8  21
ATOM     21  O   LIG    1       -0.021   0.486  -2.311  0.00  0.00    -0.469 OA
BRANCH  21  22
ATOM     22  C   LIG    1        1.383   0.252  -2.493  0.00  0.00    +0.289 C 
BRANCH  22  23
ATOM     23  C   LIG    1        1.982  -0.506  -1.354  0.00  0.00    +0.121 A 
ATOM     24  N   LIG    1        2.920   0.049  -0.575  0.00  0.00    -0.080 NA
ATOM     25  O   LIG    1        3.228  -0.905   0.380  0.00  0.00    -0.360 OA
ATOM     26  C   LIG    1        2.482  -2.020   0.163  0.00  0.00    +0.135 A 
ATOM     27  C   LIG    1        2.673  -3.134   1.108  0.00  0.00    +0.089 C 
ATOM     28  C   LIG    1        1.683  -1.823  -0.934  0.00  0.00    +0.074 A 
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   8  21
TORSDOF 5