REMARK  Name = BDB057345
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.396  -0.054  -1.331  0.00  0.00    +0.150 C 
ATOM      2  N   LIG    1       -4.386   0.162  -0.317  0.00  0.00    -0.331 N 
ATOM      3  C   LIG    1       -3.032  -0.074  -0.489  0.00  0.00    +0.052 A 
ATOM      4  C   LIG    1       -2.394   0.307   0.695  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1       -0.987   0.183   0.791  0.00  0.00    +0.057 A 
ATOM      6  C   LIG    1       -0.258  -0.321  -0.291  0.00  0.00    +0.122 A 
ATOM      7  C   LIG    1       -0.923  -0.699  -1.456  0.00  0.00    +0.048 A 
ATOM      8  C   LIG    1       -3.407   0.759   1.588  0.00  0.00    +0.099 A 
ATOM      9  C   LIG    1       -2.312  -0.585  -1.579  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1       -4.629   0.639   0.955  0.00  0.00    +0.115 A 
ENDROOT
BRANCH  10  11
ATOM     11  N   LIG    1       -5.879   0.916   1.390  0.00  0.00    -0.343 N 
ATOM     12  H   LIG    1       -6.710   0.553   0.929  0.00  0.00    +0.144 HD
ATOM     13  H   LIG    1       -6.048   1.124   2.374  0.00  0.00    +0.144 HD
ENDBRANCH  10  11
BRANCH   8  14
ATOM     14  C   LIG    1       -3.206   1.238   2.918  0.00  0.00    +0.103 C 
ATOM     15  N   LIG    1       -3.036   1.620   4.002  0.00  0.00    -0.191 NA
ENDBRANCH   8  14
BRANCH   6  16
ATOM     16  O   LIG    1        1.099  -0.494  -0.333  0.00  0.00    -0.487 OA
BRANCH  16  17
ATOM     17  C   LIG    1        1.843  -0.105   0.818  0.00  0.00    +0.264 C 
BRANCH  17  18
ATOM     18  C   LIG    1        3.302  -0.377   0.548  0.00  0.00    -0.009 A 
ATOM     19  C   LIG    1        4.144   0.645   0.080  0.00  0.00    +0.029 A 
ATOM     20  C   LIG    1        5.502   0.412  -0.157  0.00  0.00    +0.025 A 
ATOM     21  C   LIG    1        5.991  -0.890  -0.028  0.00  0.00    +0.023 A 
ATOM     22  C   LIG    1        5.164  -1.921   0.423  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1        3.826  -1.664   0.716  0.00  0.00    +0.007 A 
BRANCH  20  24
ATOM     24  N   LIG    1        6.301   1.411  -0.726  0.00  0.00    -0.358 N 
ATOM     25  H   LIG    1        7.295   1.276  -0.574  0.00  0.00    +0.142 HD
ATOM     26  H   LIG    1        6.000   2.354  -0.501  0.00  0.00    +0.142 HD
ENDBRANCH  20  24
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   6  16
TORSDOF 6