REMARK  Name = BDB020160
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.702  -1.014  -2.135  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1        0.679  -0.257  -1.562  0.00  0.00    +0.058 A 
ATOM      3  C   LIG    1        0.943   1.032  -1.078  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1        2.230   1.573  -1.205  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1        3.266   0.833  -1.790  0.00  0.00    -0.024 A 
ATOM      6  C   LIG    1        2.985  -0.465  -2.245  0.00  0.00    +0.051 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -0.115   1.878  -0.452  0.00  0.00    +0.244 C 
ATOM      8  N   LIG    1       -1.210   1.218   0.063  0.00  0.00    -0.307 N 
ATOM      9  H   LIG    1       -1.140   0.229   0.257  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1        0.024   3.093  -0.387  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1       -2.232   1.949   0.775  0.00  0.00    +0.140 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -3.451   1.091   0.969  0.00  0.00    -0.023 A 
ATOM     13  C   LIG    1       -3.657   0.395   2.164  0.00  0.00    +0.051 A 
ATOM     14  C   LIG    1       -4.777  -0.424   2.334  0.00  0.00    +0.124 A 
ATOM     15  C   LIG    1       -5.702  -0.559   1.294  0.00  0.00    +0.091 A 
ATOM     16  C   LIG    1       -5.506   0.124   0.091  0.00  0.00    +0.124 A 
ATOM     17  C   LIG    1       -4.379   0.936  -0.069  0.00  0.00    +0.051 A 
BRANCH  14  18
ATOM     18  O   LIG    1       -4.842  -1.045   3.553  0.00  0.00    -0.495 OA
ATOM     19  C   LIG    1       -6.024  -1.777   3.847  0.00  0.00    +0.277 C 
ENDBRANCH  14  18
BRANCH  16  20
ATOM     20  O   LIG    1       -6.326   0.076  -1.005  0.00  0.00    -0.495 OA
ATOM     21  C   LIG    1       -7.553  -0.629  -0.865  0.00  0.00    +0.277 C 
ENDBRANCH  16  20
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   3   7
BRANCH   1  22
ATOM     22  O   LIG    1        1.593  -2.284  -2.632  0.00  0.00    -0.492 OA
BRANCH  22  24
ATOM     23  C   LIG    1        0.221  -3.593  -1.107  0.00  0.00    +0.048 C 
ATOM     24  C   LIG    1        0.359  -2.984  -2.493  0.00  0.00    +0.225 C 
ENDBRANCH  22  24
ENDBRANCH   1  22
BRANCH   5  25
ATOM     25  C   LIG    1        4.650   1.423  -1.933  0.00  0.00    +0.160 C 
BRANCH  25  26
ATOM     26  N   LIG    1        5.313   1.548  -0.653  0.00  0.00    -0.313 N 
ATOM     27  C   LIG    1        6.018   0.531   0.005  0.00  0.00    +0.204 A 
ATOM     28  N   LIG    1        6.212  -0.691  -0.338  0.00  0.00    -0.268 NA
ATOM     29  H   LIG    1        5.728  -0.876  -1.215  0.00  0.00    +0.190 HD
ATOM     30  N   LIG    1        6.505   1.146   1.161  0.00  0.00    -0.320 N 
ATOM     31  C   LIG    1        7.364   0.478   2.104  0.00  0.00    +0.152 C 
ATOM     32  C   LIG    1        6.125   2.477   1.190  0.00  0.00    +0.106 A 
ATOM     33  C   LIG    1        5.396   2.723   0.093  0.00  0.00    +0.107 A 
ENDBRANCH  25  26
ENDBRANCH   5  25
TORSDOF 9