REMARK  Name = BDB013826
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.582  -0.667   0.602  0.00  0.00    +0.102 A 
ATOM      2  C   LIG    1        1.776   0.286  -0.027  0.00  0.00    +0.156 A 
ATOM      3  N   LIG    1        2.346   1.438  -0.452  0.00  0.00    -0.134 NA
ATOM      4  N   LIG    1        3.683   1.696  -0.261  0.00  0.00    -0.156 NA
ATOM      5  C   LIG    1        4.455   0.778   0.340  0.00  0.00    +0.136 A 
ATOM      6  C   LIG    1        3.945  -0.417   0.790  0.00  0.00    +0.040 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1        0.821  -2.082   1.432  0.00  0.00    -0.245 OA
ATOM      8  C   LIG    1        1.987  -1.913   1.125  0.00  0.00    +0.340 C 
BRANCH   8   9
ATOM      9  O   LIG    1        2.893  -2.900   1.259  0.00  0.00    -0.477 OA
ATOM     10  H   LIG    1        2.368  -3.663   1.585  0.00  0.00    +0.295 HD
ENDBRANCH   8   9
ENDBRANCH   1   8
BRANCH   2  11
ATOM     11  N   LIG    1        0.430   0.021  -0.333  0.00  0.00    -0.323 N 
ATOM     12  H   LIG    1       -0.022  -0.486   0.431  0.00  0.00    +0.148 HD
BRANCH  11  13
ATOM     13  C   LIG    1       -0.342   1.177  -0.767  0.00  0.00    +0.138 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -1.785   0.765  -0.947  0.00  0.00    -0.030 A 
ATOM     15  C   LIG    1       -2.162  -0.035  -2.037  0.00  0.00    +0.005 A 
ATOM     16  C   LIG    1       -3.491  -0.427  -2.203  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -4.456  -0.028  -1.280  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -4.093   0.759  -0.188  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -2.763   1.152  -0.019  0.00  0.00    +0.005 A 
ENDBRANCH  13  14
ENDBRANCH  11  13
ENDBRANCH   2  11
TORSDOF 5