REMARK  Name = BDB020926
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.050  -0.332   0.010  0.00  0.00    -0.312 N 
ATOM      2  C   LIG    1        2.133   0.812  -0.100  0.00  0.00    +0.125 C 
ATOM      3  C   LIG    1        0.692   0.374   0.218  0.00  0.00    +0.126 C 
ATOM      4  N   LIG    1        0.562  -0.329   1.502  0.00  0.00    -0.298 N 
ATOM      5  C   LIG    1       -0.644  -0.673   2.088  0.00  0.00    +0.216 C 
ATOM      6  O   LIG    1       -0.705  -1.251   3.174  0.00  0.00    -0.276 OA
ATOM      7  C   LIG    1        1.817  -0.672   2.174  0.00  0.00    +0.126 C 
ATOM      8  C   LIG    1        2.893  -1.192   1.201  0.00  0.00    +0.125 C 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1        6.898   0.316  -1.483  0.00  0.00    +0.055 A 
ATOM     10  C   LIG    1        5.939   1.309  -1.387  0.00  0.00    +0.126 A 
ATOM     11  N   LIG    1        4.683   1.111  -0.909  0.00  0.00    -0.240 NA
ATOM     12  C   LIG    1        4.342  -0.122  -0.468  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1        5.262  -1.171  -0.533  0.00  0.00    +0.044 A 
ATOM     14  C   LIG    1        6.548  -0.952  -1.034  0.00  0.00    +0.018 A 
BRANCH   9  18
ATOM     15  N   LIG    1        8.439   1.633  -2.843  0.00  0.00    -0.325 N 
ATOM     16  H   LIG    1        9.351   1.692  -3.281  0.00  0.00    +0.145 HD
ATOM     17  H   LIG    1        7.676   2.091  -3.321  0.00  0.00    +0.145 HD
ATOM     18  C   LIG    1        8.256   0.560  -2.013  0.00  0.00    +0.243 C 
ATOM     19  O   LIG    1        9.187  -0.190  -1.748  0.00  0.00    -0.270 OA
ENDBRANCH   9  18
ENDBRANCH   1  12
BRANCH   5  20
ATOM     20  C   LIG    1       -1.900  -0.318   1.312  0.00  0.00    +0.103 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.164  -0.752   2.049  0.00  0.00    +0.083 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.358  -0.565   1.150  0.00  0.00    +0.111 A 
ATOM     23  N   LIG    1       -4.735  -1.658   0.418  0.00  0.00    -0.310 N 
ATOM     24  H   LIG    1       -4.259  -2.544   0.517  0.00  0.00    +0.170 HD
ATOM     25  C   LIG    1       -5.789  -1.648  -0.460  0.00  0.00    +0.259 A 
ATOM     26  O   LIG    1       -6.113  -2.642  -1.099  0.00  0.00    -0.267 OA
ATOM     27  C   LIG    1       -6.500  -0.365  -0.584  0.00  0.00    +0.065 A 
ATOM     28  C   LIG    1       -6.040   0.702   0.194  0.00  0.00    +0.078 A 
ATOM     29  C   LIG    1       -6.697   1.930   0.097  0.00  0.00    +0.028 A 
ATOM     30  C   LIG    1       -7.790   2.085  -0.762  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1       -8.237   1.010  -1.532  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1       -7.591  -0.222  -1.446  0.00  0.00    +0.015 A 
ATOM     33  N   LIG    1       -4.944   0.585   1.067  0.00  0.00    -0.234 NA
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   5  20
TORSDOF 5