REMARK  Name = BDB052412
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.132   0.211  -0.490  0.00  0.00    +0.220 A 
ATOM      2  N   LIG    1       -0.058  -0.205   0.201  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1        1.129  -0.084  -0.413  0.00  0.00    +0.097 A 
ATOM      4  C   LIG    1        2.316  -0.498   0.309  0.00  0.00    +0.091 A 
ATOM      5  N   LIG    1        2.446  -1.243   1.442  0.00  0.00    -0.264 N 
ATOM      6  C   LIG    1        1.399  -1.828   2.245  0.00  0.00    +0.173 C 
ATOM      7  N   LIG    1        3.733  -1.446   1.794  0.00  0.00    -0.166 NA
ATOM      8  C   LIG    1        4.463  -0.808   0.857  0.00  0.00    +0.151 A 
ATOM      9  C   LIG    1        3.603  -0.207  -0.104  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        3.856   0.590  -1.339  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1        2.672   0.482  -2.336  0.00  0.00    +0.043 C 
ATOM     12  C   LIG    1        1.313   0.440  -1.682  0.00  0.00    -0.001 A 
ATOM     13  C   LIG    1        0.154   0.817  -2.308  0.00  0.00    +0.120 A 
ATOM     14  N   LIG    1       -1.059   0.718  -1.732  0.00  0.00    -0.222 NA
ENDROOT
BRANCH   8  15
ATOM     15  C   LIG    1        5.934  -0.792   0.920  0.00  0.00    +0.262 C 
ATOM     16  O   LIG    1        6.627  -1.678   1.410  0.00  0.00    -0.269 OA
ATOM     17  N   LIG    1        6.535   0.335   0.416  0.00  0.00    -0.324 N 
ATOM     18  H   LIG    1        6.008   1.195   0.381  0.00  0.00    +0.145 HD
ATOM     19  H   LIG    1        7.518   0.409   0.645  0.00  0.00    +0.145 HD
ENDBRANCH   8  15
BRANCH   1  20
ATOM     20  N   LIG    1       -2.342   0.071   0.185  0.00  0.00    -0.283 N 
ATOM     21  H   LIG    1       -2.152  -0.310   1.098  0.00  0.00    +0.155 HD
BRANCH  20  24
ATOM     22  C   LIG    1       -4.391  -0.594   2.140  0.00  0.00    +0.045 C 
ATOM     23  C   LIG    1       -4.697   0.077   0.826  0.00  0.00    -0.029 A 
ATOM     24  C   LIG    1       -3.677   0.394  -0.105  0.00  0.00    +0.036 A 
ATOM     25  C   LIG    1       -4.060   1.008  -1.306  0.00  0.00    +0.023 A 
ATOM     26  C   LIG    1       -5.396   1.313  -1.584  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -6.386   1.005  -0.661  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -6.039   0.390   0.538  0.00  0.00    +0.005 A 
ENDBRANCH  20  24
ENDBRANCH   1  20
TORSDOF 3