REMARK  Name = BDB014419
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.036   1.095  -1.023  0.00  0.00    +0.251 C 
ATOM      2  N   LIG    1        0.884   0.612  -0.432  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1        0.731  -0.390  -0.386  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        2.426   2.247  -0.864  0.00  0.00    -0.272 OA
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1        2.756   0.061  -1.900  0.00  0.00    +0.324 C 
BRANCH   5   6
ATOM      6  O   LIG    1        4.096   0.370  -2.245  0.00  0.00    -0.483 OA
BRANCH   6  10
ATOM      7  C   LIG    1        7.270  -0.120   0.423  0.00  0.00    +0.037 A 
ATOM      8  C   LIG    1        5.977  -0.437   0.855  0.00  0.00    +0.016 A 
ATOM      9  C   LIG    1        4.880  -0.290  -0.003  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1        5.067   0.182  -1.302  0.00  0.00    +0.121 A 
ATOM     11  C   LIG    1        6.357   0.514  -1.727  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1        7.455   0.371  -0.873  0.00  0.00    +0.016 A 
BRANCH   7  16
ATOM     13  N   LIG    1        9.661  -0.377   0.865  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1       10.390  -0.619   1.525  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1        9.840  -0.562  -0.111  0.00  0.00    +0.145 HD
ATOM     16  C   LIG    1        8.396  -0.299   1.379  0.00  0.00    +0.242 C 
ATOM     17  O   LIG    1        8.206  -0.411   2.584  0.00  0.00    -0.270 OA
ENDBRANCH   7  16
ENDBRANCH   6  10
ENDBRANCH   5   6
ENDBRANCH   1   5
BRANCH   2  18
ATOM     18  C   LIG    1        0.152   1.412   0.537  0.00  0.00    +0.136 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.225   0.805   0.852  0.00  0.00    +0.145 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -1.020  -0.564   1.248  0.00  0.00    -0.389 OA
ATOM     21  H   LIG    1       -0.710  -0.540   2.172  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1       -2.165   0.875  -0.376  0.00  0.00    +0.117 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -3.603   0.715  -0.057  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1       -3.896  -0.622   0.502  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1       -5.375  -0.940   0.616  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1       -6.336  -0.203  -0.097  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1       -7.693  -0.534   0.014  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -8.093  -1.609   0.807  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -7.143  -2.356   1.499  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -5.907   0.976  -0.928  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1       -5.791  -2.025   1.403  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1       -4.413   0.931  -1.269  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   2  18
TORSDOF 9