REMARK  Name = BDB014226
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.026   0.413   0.330  0.00  0.00    +0.086 A 
ATOM      2  C   LIG    1        1.820  -0.241   0.066  0.00  0.00    +0.079 A 
ATOM      3  C   LIG    1        1.807  -1.502  -0.516  0.00  0.00    +0.090 A 
ATOM      4  C   LIG    1        0.456  -1.892  -0.658  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1       -0.345  -0.881  -0.149  0.00  0.00    +0.050 A 
ATOM      6  N   LIG    1        2.932  -2.172  -0.859  0.00  0.00    -0.253 NA
ATOM      7  C   LIG    1        4.086  -1.525  -0.597  0.00  0.00    +0.112 A 
ATOM      8  N   LIG    1        0.509   0.119   0.267  0.00  0.00    -0.354 N 
ATOM      9  H   LIG    1        0.237   1.008   0.671  0.00  0.00    +0.166 HD
ATOM     10  C   LIG    1        4.192  -0.270  -0.021  0.00  0.00    +0.037 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -1.836  -0.753  -0.055  0.00  0.00    +0.106 C 
ATOM     12  C   LIG    1       -2.408   0.159  -1.154  0.00  0.00    +0.041 C 
ATOM     13  C   LIG    1       -3.470   1.000  -0.453  0.00  0.00    +0.003 C 
ATOM     14  C   LIG    1       -2.899   1.194   0.941  0.00  0.00    +0.003 C 
ATOM     15  C   LIG    1       -2.340  -0.181   1.283  0.00  0.00    +0.041 C 
BRANCH  11  16
ATOM     16  O   LIG    1       -2.372  -2.062  -0.215  0.00  0.00    -0.383 OA
ATOM     17  H   LIG    1       -1.976  -2.618   0.477  0.00  0.00    +0.211 HD
ENDBRANCH  11  16
ENDBRANCH   5  11
BRANCH   1  19
ATOM     18  O   LIG    1        4.150   2.347   1.185  0.00  0.00    -0.245 OA
ATOM     19  C   LIG    1        3.118   1.750   0.941  0.00  0.00    +0.339 C 
BRANCH  19  20
ATOM     20  O   LIG    1        1.917   2.290   1.226  0.00  0.00    -0.477 OA
ATOM     21  H   LIG    1        2.156   3.160   1.615  0.00  0.00    +0.295 HD
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 4