REMARK  Name = BDB016402
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.140   0.221   3.111  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -3.577   0.001   1.659  0.00  0.00    +0.076 C 
ATOM      3  N   LIG    1       -2.390   0.040   0.819  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -1.681   0.680   1.175  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -2.528   0.187  -0.578  0.00  0.00    +0.057 A 
ATOM      6  C   LIG    1       -3.659  -0.220  -1.326  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -3.686   0.001  -2.721  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -2.607   0.558  -3.400  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -1.466   0.899  -2.694  0.00  0.00    +0.010 A 
ATOM     10  N   LIG    1       -4.829  -0.843  -0.842  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -5.571  -0.998  -1.513  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -5.176  -1.354   0.365  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1       -6.295  -1.866   0.479  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -1.409   0.705  -1.306  0.00  0.00    +0.008 A 
ATOM     15  C   LIG    1       -4.223  -1.358   1.514  0.00  0.00    +0.118 C 
ENDROOT
BRANCH  14  16
ATOM     16  C   LIG    1       -0.168   1.080  -0.650  0.00  0.00    +0.021 A 
ATOM     17  C   LIG    1        0.708   0.191  -0.069  0.00  0.00    +0.117 A 
ATOM     18  N   LIG    1        1.756   0.936   0.403  0.00  0.00    -0.264 N 
ATOM     19  N   LIG    1        1.603   2.262   0.174  0.00  0.00    -0.178 NA
ATOM     20  C   LIG    1        0.444   2.339  -0.485  0.00  0.00    +0.143 A 
BRANCH  18  21
ATOM     21  C   LIG    1        2.931   0.415   1.110  0.00  0.00    +0.134 C 
ATOM     22  C   LIG    1        3.489   1.379   2.163  0.00  0.00    +0.038 C 
BRANCH  21  23
ATOM     23  C   LIG    1        3.999  -0.037   0.125  0.00  0.00    -0.023 A 
ATOM     24  C   LIG    1        4.603   0.867  -0.764  0.00  0.00    +0.006 A 
ATOM     25  C   LIG    1        5.586   0.439  -1.657  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        5.980  -0.897  -1.674  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        5.391  -1.806  -0.798  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        4.407  -1.381   0.097  0.00  0.00    +0.006 A 
ENDBRANCH  21  23
ENDBRANCH  18  21
ENDBRANCH  14  16
TORSDOF 3