REMARK  Name = BDB039664
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.362   0.139  -1.483  0.00  0.00    -0.292 NA
ATOM      2  C   LIG    1        0.045  -0.326  -0.143  0.00  0.00    +0.077 C 
ATOM      3  C   LIG    1        1.482   0.088   0.307  0.00  0.00    +0.091 C 
ATOM      4  C   LIG    1        1.623  -0.714   1.606  0.00  0.00    +0.024 C 
ATOM      5  C   LIG    1        0.947  -2.056   1.335  0.00  0.00    +0.003 C 
ATOM      6  N   LIG    1        2.512  -0.303  -0.685  0.00  0.00    -0.323 N 
ATOM      7  C   LIG    1        2.053  -0.445  -2.084  0.00  0.00    +0.121 C 
ATOM      8  C   LIG    1        0.021  -1.841   0.138  0.00  0.00    +0.021 C 
ATOM      9  C   LIG    1        0.793   0.400  -2.359  0.00  0.00    +0.104 C 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1        3.865  -0.046  -0.485  0.00  0.00    +0.048 A 
ATOM     11  C   LIG    1        4.863  -0.704  -1.220  0.00  0.00    +0.134 A 
ATOM     12  N   LIG    1        6.201  -0.519  -1.097  0.00  0.00    -0.249 NA
ATOM     13  C   LIG    1        6.601   0.376  -0.168  0.00  0.00    +0.125 A 
ATOM     14  C   LIG    1        5.713   1.083   0.632  0.00  0.00    +0.035 A 
ATOM     15  C   LIG    1        4.342   0.861   0.467  0.00  0.00    +0.027 A 
BRANCH  13  16
ATOM     16  C   LIG    1        8.079   0.583  -0.031  0.00  0.00    +0.262 C 
ATOM     17  N   LIG    1        8.548   0.719   1.269  0.00  0.00    -0.313 N 
ATOM     18  H   LIG    1        7.949   0.408   2.023  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1        9.966   0.777   1.521  0.00  0.00    +0.128 C 
ATOM     20  O   LIG    1        8.814   0.613  -1.012  0.00  0.00    -0.269 OA
ENDBRANCH  13  16
ENDBRANCH   6  10
BRANCH   1  21
ATOM     21  C   LIG    1       -1.418  -0.633  -2.142  0.00  0.00    +0.121 C 
BRANCH  21  31
ATOM     22  C   LIG    1       -7.056   0.524   0.916  0.00  0.00    +0.019 A 
ATOM     23  C   LIG    1       -6.341   1.832   0.742  0.00  0.00    +0.252 A 
ATOM     24  O   LIG    1       -6.813   2.889   1.147  0.00  0.00    -0.268 OA
ATOM     25  N   LIG    1       -5.125   1.798   0.107  0.00  0.00    -0.321 N 
ATOM     26  H   LIG    1       -4.657   2.687  -0.005  0.00  0.00    +0.169 HD
ATOM     27  C   LIG    1       -4.536   0.617  -0.356  0.00  0.00    +0.068 A 
ATOM     28  C   LIG    1       -5.190  -0.601  -0.184  0.00  0.00    +0.088 A 
ATOM     29  N   LIG    1       -4.694  -1.784  -0.602  0.00  0.00    -0.253 NA
ATOM     30  C   LIG    1       -3.488  -1.744  -1.215  0.00  0.00    +0.116 A 
ATOM     31  C   LIG    1       -2.744  -0.582  -1.423  0.00  0.00    -0.013 A 
ATOM     32  C   LIG    1       -3.301   0.629  -0.990  0.00  0.00    +0.034 A 
ATOM     33  C   LIG    1       -6.488  -0.615   0.481  0.00  0.00    +0.038 A 
BRANCH  22  35
ATOM     34  C   LIG    1       -9.509   1.034   0.709  0.00  0.00    +0.009 C 
ATOM     35  C   LIG    1       -8.386   0.555   1.619  0.00  0.00    +0.037 C 
ENDBRANCH  22  35
ENDBRANCH  21  31
ENDBRANCH   1  21
TORSDOF 5