REMARK  Name = BDB014254
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.946  -0.380  -1.116  0.00  0.00    +0.056 A 
ATOM      2  N   LIG    1        2.056   0.346  -0.751  0.00  0.00    -0.353 N 
ATOM      3  H   LIG    1        2.239   1.317  -0.976  0.00  0.00    +0.166 HD
ATOM      4  C   LIG    1        2.920  -0.430  -0.014  0.00  0.00    +0.079 A 
ATOM      5  C   LIG    1        2.345  -1.692   0.086  0.00  0.00    +0.090 A 
ATOM      6  N   LIG    1        2.927  -2.720   0.747  0.00  0.00    -0.253 NA
ATOM      7  C   LIG    1        4.118  -2.437   1.314  0.00  0.00    +0.112 A 
ATOM      8  C   LIG    1        4.761  -1.212   1.265  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1        4.155  -0.158   0.580  0.00  0.00    +0.086 A 
ATOM     10  C   LIG    1        1.114  -1.657  -0.607  0.00  0.00    +0.054 A 
ENDROOT
BRANCH   9  11
ATOM     11  C   LIG    1        4.825   1.153   0.518  0.00  0.00    +0.339 C 
ATOM     12  O   LIG    1        5.899   1.424   1.021  0.00  0.00    -0.245 OA
BRANCH  11  13
ATOM     13  O   LIG    1        4.127   2.077  -0.172  0.00  0.00    -0.477 OA
ATOM     14  H   LIG    1        4.704   2.871  -0.116  0.00  0.00    +0.295 HD
ENDBRANCH  11  13
ENDBRANCH   9  11
BRANCH   1  15
ATOM     15  C   LIG    1       -0.150   0.225  -1.927  0.00  0.00    +0.282 C 
BRANCH  15  16
ATOM     16  O   LIG    1       -1.372  -0.458  -1.646  0.00  0.00    -0.486 OA
BRANCH  16  20
ATOM     17  C   LIG    1       -5.986  -0.056  -0.208  0.00  0.00    +0.044 C 
ATOM     18  C   LIG    1       -4.544   0.320  -0.040  0.00  0.00    -0.047 A 
ATOM     19  C   LIG    1       -3.570  -0.202  -0.902  0.00  0.00    +0.049 A 
ATOM     20  C   LIG    1       -2.220   0.121  -0.742  0.00  0.00    +0.121 A 
ATOM     21  C   LIG    1       -1.832   0.939   0.318  0.00  0.00    +0.045 A 
ATOM     22  C   LIG    1       -2.792   1.452   1.193  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -4.142   1.144   1.016  0.00  0.00    +0.003 A 
ENDBRANCH  16  20
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 5