REMARK  Name = BDB001412
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.312   2.169  -1.332  0.00  0.00    +0.152 C 
ENDROOT
BRANCH   1   4
ATOM      2  N   LIG    1        0.822   1.183  -0.781  0.00  0.00    -0.285 N 
ATOM      3  H   LIG    1        0.530   1.493   0.147  0.00  0.00    +0.155 HD
ATOM      4  C   LIG    1       -0.103   1.379  -1.790  0.00  0.00    +0.223 C 
ATOM      5  O   LIG    1       -0.011   1.001  -2.954  0.00  0.00    -0.275 OA
BRANCH   2   9
ATOM      6  C   LIG    1        4.555  -0.795  -0.832  0.00  0.00    +0.121 A 
ATOM      7  C   LIG    1        4.006  -0.291   0.348  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1        2.770   0.361   0.339  0.00  0.00    +0.027 A 
ATOM      9  C   LIG    1        2.058   0.516  -0.854  0.00  0.00    +0.034 A 
ATOM     10  C   LIG    1        2.605   0.009  -2.032  0.00  0.00    +0.027 A 
ATOM     11  C   LIG    1        3.846  -0.645  -2.022  0.00  0.00    +0.047 A 
BRANCH   6  12
ATOM     12  O   LIG    1        5.765  -1.410  -0.677  0.00  0.00    -0.492 OA
BRANCH  12  14
ATOM     13  C   LIG    1        6.058  -3.281  -2.192  0.00  0.00    +0.048 C 
ATOM     14  C   LIG    1        6.462  -1.860  -1.837  0.00  0.00    +0.225 C 
ENDBRANCH  12  14
ENDBRANCH   6  12
ENDBRANCH   2   9
ENDBRANCH   1   4
BRANCH   1  15
ATOM     15  C   LIG    1       -1.971   1.570  -0.106  0.00  0.00    +0.058 C 
ATOM     16  N   LIG    1       -1.349   1.729   1.029  0.00  0.00    -0.251 NA
BRANCH  15  17
ATOM     17  C   LIG    1       -3.247   0.846  -0.329  0.00  0.00    -0.003 A 
ATOM     18  C   LIG    1       -4.411   1.266   0.321  0.00  0.00    +0.010 A 
ATOM     19  C   LIG    1       -5.611   0.592   0.092  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1       -5.647  -0.491  -0.788  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -4.485  -0.902  -1.443  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1       -3.281  -0.233  -1.217  0.00  0.00    +0.010 A 
ENDBRANCH  15  17
BRANCH  16  23
ATOM     23  C   LIG    1       -1.825   1.137   2.207  0.00  0.00    +0.064 A 
ATOM     24  C   LIG    1       -2.332   1.945   3.227  0.00  0.00    +0.028 A 
ATOM     25  C   LIG    1       -2.783   1.379   4.421  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -2.713  -0.001   4.608  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -2.183  -0.812   3.606  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1       -1.732  -0.243   2.413  0.00  0.00    +0.028 A 
ENDBRANCH  16  23
ENDBRANCH   1  15
TORSDOF 7