REMARK  Name = BDB016464
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.499  -0.857  -1.193  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1       -2.228  -0.637  -0.799  0.00  0.00    -0.209 NA
ATOM      3  C   LIG    1       -1.327  -0.406  -1.766  0.00  0.00    +0.165 A 
ATOM      4  C   LIG    1       -1.689  -0.365  -3.107  0.00  0.00    +0.175 A 
ATOM      5  C   LIG    1       -3.002  -0.621  -3.410  0.00  0.00    +0.162 A 
ATOM      6  N   LIG    1       -3.929  -0.885  -2.471  0.00  0.00    -0.232 NA
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -5.003  -0.250   0.778  0.00  0.00    -0.034 A 
ATOM      8  C   LIG    1       -4.482  -1.181  -0.155  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1       -4.929  -2.522  -0.091  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -5.840  -2.952   0.873  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -6.329  -2.046   1.801  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -5.916  -0.715   1.754  0.00  0.00    +0.004 A 
BRANCH   7  14
ATOM     13  C   LIG    1       -3.382   1.495   1.628  0.00  0.00    +0.012 C 
ATOM     14  C   LIG    1       -4.663   1.238   0.833  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1       -4.643   1.968  -0.513  0.00  0.00    +0.012 C 
ENDBRANCH   7  14
ENDBRANCH   1   8
BRANCH   3  16
ATOM     16  N   LIG    1        0.041  -0.194  -1.461  0.00  0.00    -0.322 N 
ATOM     17  H   LIG    1        0.578  -0.927  -1.922  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1        0.327  -0.203  -0.028  0.00  0.00    +0.138 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.818  -0.043   0.162  0.00  0.00    -0.030 A 
ATOM     20  C   LIG    1        2.620  -1.140   0.496  0.00  0.00    +0.006 A 
ATOM     21  C   LIG    1        4.002  -0.987   0.653  0.00  0.00    +0.009 A 
ATOM     22  C   LIG    1        4.620   0.261   0.474  0.00  0.00    -0.018 A 
ATOM     23  C   LIG    1        3.808   1.353   0.130  0.00  0.00    +0.009 A 
ATOM     24  C   LIG    1        2.426   1.205  -0.026  0.00  0.00    +0.006 A 
BRANCH  22  25
ATOM     25  C   LIG    1        6.074   0.418   0.639  0.00  0.00    -0.018 A 
ATOM     26  C   LIG    1        6.861   0.990  -0.376  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1        8.242   1.138  -0.221  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        8.860   0.719   0.954  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        8.100   0.151   1.973  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        6.719   0.002   1.815  0.00  0.00    +0.008 A 
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   3  16
BRANCH   4  31
ATOM     31  O   LIG    1       -0.786  -0.053  -4.080  0.00  0.00    -0.502 OA
ATOM     32  H   LIG    1       -0.020   0.320  -3.597  0.00  0.00    +0.292 HD
ENDBRANCH   4  31
TORSDOF 7