REMARK  Name = BDB014046
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.600   1.559   2.652  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -0.081   0.938   1.601  0.00  0.00    +0.087 A 
ATOM      3  C   LIG    1        0.207   0.271   0.385  0.00  0.00    +0.121 A 
ATOM      4  N   LIG    1       -0.901  -0.059  -0.291  0.00  0.00    -0.167 NA
ATOM      5  N   LIG    1       -1.903   0.316   0.536  0.00  0.00    -0.242 N 
ATOM      6  C   LIG    1       -1.462   0.905   1.691  0.00  0.00    +0.164 A 
ATOM      7  N   LIG    1       -2.210   1.368   2.708  0.00  0.00    -0.216 NA
ATOM      8  C   LIG    1       -1.447   1.891   3.681  0.00  0.00    +0.225 A 
ATOM      9  N   LIG    1       -0.104   2.017   3.705  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   3  10
ATOM     10  C   LIG    1        1.614  -0.109  -0.163  0.00  0.00    +0.069 A 
ATOM     11  N   LIG    1        2.791   0.044   0.518  0.00  0.00    -0.350 N 
ATOM     12  H   LIG    1        2.853   0.416   1.458  0.00  0.00    +0.166 HD
ATOM     13  C   LIG    1        3.850  -0.396  -0.241  0.00  0.00    +0.089 A 
ATOM     14  C   LIG    1        3.314  -0.853  -1.450  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1        4.187  -1.357  -2.434  0.00  0.00    +0.010 A 
ATOM     16  C   LIG    1        5.565  -1.385  -2.185  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1        6.077  -0.927  -0.974  0.00  0.00    +0.047 A 
ATOM     18  C   LIG    1        5.226  -0.435   0.014  0.00  0.00    +0.141 A 
ATOM     19  C   LIG    1        1.902  -0.685  -1.378  0.00  0.00    +0.038 A 
BRANCH  18  20
ATOM     20  O   LIG    1        5.792  -0.016   1.192  0.00  0.00    -0.505 OA
ATOM     21  H   LIG    1        5.082   0.146   1.832  0.00  0.00    +0.292 HD
ENDBRANCH  18  20
ENDBRANCH   3  10
BRANCH   5  22
ATOM     22  C   LIG    1       -3.288   0.068   0.163  0.00  0.00    +0.114 C 
ATOM     23  C   LIG    1       -3.627  -1.429   0.216  0.00  0.00    +0.055 C 
ATOM     24  C   LIG    1       -4.739  -1.785  -0.761  0.00  0.00    +0.162 C 
ATOM     25  O   LIG    1       -5.659  -0.703  -0.855  0.00  0.00    -0.380 OA
ATOM     26  C   LIG    1       -5.108   0.431  -1.527  0.00  0.00    +0.162 C 
ATOM     27  C   LIG    1       -3.635   0.662  -1.204  0.00  0.00    +0.055 C 
ENDBRANCH   5  22
BRANCH   1  28
ATOM     28  N   LIG    1        1.980   1.811   2.670  0.00  0.00    -0.342 N 
ATOM     29  H   LIG    1        2.149   2.304   3.550  0.00  0.00    +0.144 HD
ATOM     30  H   LIG    1        2.200   2.435   1.893  0.00  0.00    +0.144 HD
ENDBRANCH   1  28
TORSDOF 4