REMARK  Name = BDB012367
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.327  -0.595   1.026  0.00  0.00    +0.220 A 
ATOM      2  N   LIG    1        2.529  -1.315   0.939  0.00  0.00    -0.182 N 
ATOM      3  N   LIG    1        2.413  -2.529   1.562  0.00  0.00    -0.170 NA
ATOM      4  C   LIG    1        1.155  -2.585   1.984  0.00  0.00    +0.138 A 
ATOM      5  C   LIG    1        0.437  -1.425   1.682  0.00  0.00    +0.088 A 
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1        3.783  -0.961   0.317  0.00  0.00    +0.158 A 
ATOM      7  N   LIG    1        4.818  -1.843   0.447  0.00  0.00    -0.236 NA
ATOM      8  C   LIG    1        6.003  -1.548  -0.122  0.00  0.00    +0.114 A 
ATOM      9  C   LIG    1        6.233  -0.397  -0.840  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1        5.178   0.500  -0.979  0.00  0.00    +0.064 A 
ATOM     11  C   LIG    1        3.935   0.222  -0.396  0.00  0.00    +0.063 A 
BRANCH  10  12
ATOM     12  C   LIG    1        5.419   1.737  -1.757  0.00  0.00    +0.337 C 
ATOM     13  O   LIG    1        6.472   2.056  -2.276  0.00  0.00    -0.245 OA
BRANCH  12  14
ATOM     14  O   LIG    1        4.328   2.517  -1.854  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        4.633   3.285  -2.382  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  10  12
ENDBRANCH   2   6
BRANCH   1  16
ATOM     16  O   LIG    1        1.201   0.644   0.532  0.00  0.00    -0.471 OA
BRANCH  16  17
ATOM     17  C   LIG    1       -0.087   1.267   0.626  0.00  0.00    +0.270 C 
BRANCH  17  26
ATOM     18  C   LIG    1       -4.690  -1.028   1.783  0.00  0.00    +0.056 C 
ATOM     19  C   LIG    1       -4.276   0.057   0.788  0.00  0.00    +0.109 C 
ATOM     20  O   LIG    1       -2.868   0.348   1.018  0.00  0.00    -0.485 OA
ATOM     21  C   LIG    1       -2.304   0.416  -0.230  0.00  0.00    +0.131 A 
ATOM     22  C   LIG    1       -3.159   0.014  -1.244  0.00  0.00    -0.002 A 
ATOM     23  C   LIG    1       -2.750   0.011  -2.566  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1       -1.452   0.435  -2.853  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -0.587   0.840  -1.823  0.00  0.00    +0.010 A 
ATOM     26  C   LIG    1       -1.004   0.825  -0.481  0.00  0.00    +0.032 A 
ATOM     27  C   LIG    1       -4.451  -0.426  -0.669  0.00  0.00    +0.086 C 
ATOM     28  C   LIG    1       -5.067   1.343   1.057  0.00  0.00    +0.056 C 
ENDBRANCH  17  26
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 6