REMARK  Name = BDB039467
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.494   0.220  -0.363  0.00  0.00    +0.001 A 
ATOM      2  C   LIG    1        0.698  -0.537  -0.371  0.00  0.00    +0.016 A 
ATOM      3  C   LIG    1        1.919   0.113  -0.269  0.00  0.00    -0.017 A 
ATOM      4  C   LIG    1        3.300  -0.453  -0.230  0.00  0.00    +0.144 C 
ATOM      5  N   LIG    1        4.133   0.742  -0.191  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1        3.379   1.899  -0.059  0.00  0.00    +0.248 C 
ATOM      7  O   LIG    1        3.777   3.037   0.099  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        1.971   1.499  -0.153  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1        0.838   2.284  -0.128  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -0.395   1.632  -0.232  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  19
ATOM     11  C   LIG    1       -3.606  -3.309  -2.205  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1       -3.326  -2.122  -1.341  0.00  0.00    -0.042 A 
ATOM     13  C   LIG    1       -4.319  -1.499  -0.606  0.00  0.00    -0.003 A 
ATOM     14  C   LIG    1       -5.764  -1.833  -0.472  0.00  0.00    +0.058 C 
ATOM     15  C   LIG    1       -6.287  -0.521   0.134  0.00  0.00    +0.111 C 
ATOM     16  N   LIG    1       -5.177   0.072   0.894  0.00  0.00    -0.312 N 
ATOM     17  C   LIG    1       -4.029  -0.385   0.179  0.00  0.00    +0.125 A 
ATOM     18  N   LIG    1       -2.812   0.166   0.250  0.00  0.00    -0.232 NA
ATOM     19  C   LIG    1       -1.823  -0.422  -0.472  0.00  0.00    +0.073 A 
ATOM     20  C   LIG    1       -2.051  -1.552  -1.274  0.00  0.00    +0.032 A 
BRANCH  16  21
ATOM     21  C   LIG    1       -5.159   1.511   1.141  0.00  0.00    +0.134 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -6.302   1.929   2.074  0.00  0.00    +0.174 C 
BRANCH  22  23
ATOM     23  O   LIG    1       -6.238   3.322   2.374  0.00  0.00    -0.393 OA
ATOM     24  H   LIG    1       -5.412   3.469   2.868  0.00  0.00    +0.209 HD
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  16  21
ENDBRANCH   1  19
BRANCH   5  25
ATOM     25  C   LIG    1        5.563   0.719   0.091  0.00  0.00    +0.163 C 
ATOM     26  C   LIG    1        5.869   0.274   1.532  0.00  0.00    +0.240 C 
ATOM     27  O   LIG    1        5.027   0.151   2.417  0.00  0.00    -0.273 OA
ATOM     28  N   LIG    1        7.192  -0.006   1.790  0.00  0.00    -0.255 N 
ATOM     29  H   LIG    1        7.380  -0.316   2.734  0.00  0.00    +0.158 HD
ATOM     30  C   LIG    1        8.115  -0.419   0.862  0.00  0.00    +0.219 C 
ATOM     31  O   LIG    1        9.128  -1.022   1.201  0.00  0.00    -0.275 OA
ATOM     32  C   LIG    1        7.822  -0.075  -0.580  0.00  0.00    +0.098 C 
ATOM     33  C   LIG    1        6.333  -0.175  -0.876  0.00  0.00    +0.041 C 
ENDBRANCH   5  25
TORSDOF 5