REMARK  Name = BDB012867
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.664   0.373  -0.672  0.00  0.00    +0.092 C 
ATOM      2  C   LIG    1        1.510   1.063   0.065  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1        0.315   0.353  -0.371  0.00  0.00    -0.294 N 
ATOM      4  C   LIG    1       -0.918   0.678   0.173  0.00  0.00    +0.264 C 
ATOM      5  O   LIG    1       -1.011   1.524   1.060  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        0.669  -0.868  -1.084  0.00  0.00    +0.110 C 
ATOM      7  C   LIG    1        2.155  -1.060  -0.806  0.00  0.00    +0.043 C 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1       -2.075  -0.017  -0.329  0.00  0.00    +0.121 A 
ATOM      9  N   LIG    1       -2.311  -0.346  -1.633  0.00  0.00    -0.272 N 
ATOM     10  H   LIG    1       -1.730  -0.140  -2.438  0.00  0.00    +0.189 HD
ATOM     11  N   LIG    1       -3.459  -1.009  -1.837  0.00  0.00    -0.178 NA
ATOM     12  C   LIG    1       -4.040  -1.026  -0.630  0.00  0.00    +0.066 A 
ATOM     13  C   LIG    1       -3.220  -0.403   0.340  0.00  0.00    +0.057 A 
BRANCH  12  14
ATOM     14  C   LIG    1       -5.394  -1.652  -0.450  0.00  0.00    +0.033 C 
ATOM     15  C   LIG    1       -6.430  -0.628   0.015  0.00  0.00    +0.014 C 
ATOM     16  C   LIG    1       -5.341  -2.838   0.515  0.00  0.00    +0.014 C 
ENDBRANCH  12  14
ENDBRANCH   4   8
BRANCH   1  18
ATOM     17  C   LIG    1        4.665   1.627  -0.004  0.00  0.00    +0.213 C 
ATOM     18  N   LIG    1        3.937   0.453   0.015  0.00  0.00    -0.311 N 
ATOM     19  H   LIG    1        4.136  -0.212   0.752  0.00  0.00    +0.149 HD
ATOM     20  O   LIG    1        4.338   2.604  -0.666  0.00  0.00    -0.276 OA
BRANCH  17  22
ATOM     21  C   LIG    1        6.703   2.857   0.825  0.00  0.00    +0.013 C 
ATOM     22  C   LIG    1        5.901   1.569   0.872  0.00  0.00    +0.092 C 
ENDBRANCH  17  22
ENDBRANCH   1  18
TORSDOF 4