REMARK  Name = BDB065360
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.125   0.785   0.301  0.00  0.00    -0.251 N 
ATOM      2  N   LIG    1       -1.210   0.761   1.642  0.00  0.00    -0.065 NA
ATOM      3  N   LIG    1       -2.193  -0.069   1.964  0.00  0.00    -0.133 NA
ATOM      4  C   LIG    1       -2.735  -0.562   0.803  0.00  0.00    +0.103 A 
ATOM      5  C   LIG    1       -2.058  -0.023  -0.271  0.00  0.00    +0.135 A 
ENDROOT
BRANCH   1   6
ATOM      6  C   LIG    1       -0.152   1.623  -0.362  0.00  0.00    +0.145 C 
BRANCH   6   7
ATOM      7  C   LIG    1        1.085   0.864  -0.845  0.00  0.00    +0.023 C 
BRANCH   7   8
ATOM      8  C   LIG    1        1.952   0.341   0.305  0.00  0.00    +0.002 C 
BRANCH   8   9
ATOM      9  C   LIG    1        3.186  -0.432  -0.170  0.00  0.00    +0.011 C 
BRANCH   9  10
ATOM     10  C   LIG    1        4.214   0.442  -0.878  0.00  0.00    +0.120 C 
BRANCH  10  11
ATOM     11  C   LIG    1        5.442  -0.360  -1.221  0.00  0.00    +0.307 C 
ATOM     12  O   LIG    1        5.625  -0.905  -2.301  0.00  0.00    -0.251 OA
BRANCH  11  13
ATOM     13  O   LIG    1        6.291  -0.408  -0.159  0.00  0.00    -0.465 OA
BRANCH  13  15
ATOM     14  C   LIG    1        8.318  -1.139   0.871  0.00  0.00    +0.048 C 
ATOM     15  C   LIG    1        7.479  -1.173  -0.391  0.00  0.00    +0.229 C 
ENDBRANCH  13  15
ENDBRANCH  11  13
ENDBRANCH  10  11
ENDBRANCH   9  10
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   6   7
ENDBRANCH   1   6
BRANCH   4  16
ATOM     16  C   LIG    1       -3.876  -1.515   0.831  0.00  0.00    +0.185 C 
BRANCH  16  17
ATOM     17  N   LIG    1       -5.116  -0.818   0.499  0.00  0.00    -0.293 N 
ATOM     18  C   LIG    1       -5.543  -0.812  -0.830  0.00  0.00    +0.350 A 
ATOM     19  O   LIG    1       -4.908  -1.397  -1.705  0.00  0.00    -0.244 OA
ATOM     20  N   LIG    1       -6.702  -0.138  -1.138  0.00  0.00    -0.178 NA
ATOM     21  C   LIG    1       -7.341   0.505  -0.212  0.00  0.00    +0.123 A 
ATOM     22  C   LIG    1       -6.897   0.560   1.194  0.00  0.00    +0.061 A 
ATOM     23  C   LIG    1       -5.787  -0.118   1.477  0.00  0.00    +0.094 A 
BRANCH  21  24
ATOM     24  N   LIG    1       -8.486   1.152  -0.585  0.00  0.00    -0.343 N 
ATOM     25  H   LIG    1       -8.800   0.861  -1.506  0.00  0.00    +0.144 HD
ATOM     26  H   LIG    1       -9.235   1.184   0.095  0.00  0.00    +0.144 HD
ENDBRANCH  21  24
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 11