REMARK  Name = BDB039672
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.290  -2.201  -0.851  0.00  0.00    -0.290 NA
ATOM      2  C   LIG    1        0.868  -3.122  -0.888  0.00  0.00    +0.077 C 
ATOM      3  C   LIG    1        2.247  -2.431  -0.678  0.00  0.00    +0.091 C 
ATOM      4  C   LIG    1        2.229  -2.954   0.783  0.00  0.00    +0.025 C 
ATOM      5  N   LIG    1        2.319  -0.981  -0.766  0.00  0.00    -0.323 N 
ATOM      6  C   LIG    1        1.216  -0.247  -1.428  0.00  0.00    +0.121 C 
ATOM      7  C   LIG    1        1.126  -3.952   0.379  0.00  0.00    +0.022 C 
ATOM      8  C   LIG    1        0.033  -1.147  -1.835  0.00  0.00    +0.104 C 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        3.485  -0.231  -0.465  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1        3.537   1.171  -0.459  0.00  0.00    +0.134 A 
ATOM     11  N   LIG    1        4.628   1.930  -0.173  0.00  0.00    -0.249 NA
ATOM     12  C   LIG    1        5.762   1.251   0.140  0.00  0.00    +0.125 A 
ATOM     13  C   LIG    1        5.838  -0.131   0.179  0.00  0.00    +0.035 A 
ATOM     14  C   LIG    1        4.690  -0.865  -0.125  0.00  0.00    +0.027 A 
BRANCH  12  15
ATOM     15  C   LIG    1        6.970   2.079   0.462  0.00  0.00    +0.262 C 
ATOM     16  N   LIG    1        6.766   3.439   0.360  0.00  0.00    -0.313 N 
ATOM     17  H   LIG    1        5.809   3.730   0.178  0.00  0.00    +0.149 HD
ATOM     18  C   LIG    1        7.759   4.399   0.756  0.00  0.00    +0.128 C 
ATOM     19  O   LIG    1        8.031   1.564   0.794  0.00  0.00    -0.269 OA
ENDBRANCH  12  15
ENDBRANCH   5   9
BRANCH   1  20
ATOM     20  C   LIG    1       -0.664  -1.642   0.462  0.00  0.00    +0.142 C 
BRANCH  20  30
ATOM     21  C   LIG    1       -6.498   1.174   0.001  0.00  0.00    +0.019 A 
ATOM     22  C   LIG    1       -6.677  -0.300  -0.224  0.00  0.00    +0.252 A 
ATOM     23  O   LIG    1       -7.775  -0.792  -0.462  0.00  0.00    -0.268 OA
ATOM     24  N   LIG    1       -5.552  -1.083  -0.152  0.00  0.00    -0.321 N 
ATOM     25  H   LIG    1       -5.691  -2.073  -0.305  0.00  0.00    +0.169 HD
ATOM     26  C   LIG    1       -4.274  -0.567   0.101  0.00  0.00    +0.071 A 
ATOM     27  C   LIG    1       -4.108   0.796   0.292  0.00  0.00    +0.110 A 
ATOM     28  N   LIG    1       -2.902   1.345   0.529  0.00  0.00    -0.147 NA
ATOM     29  N   LIG    1       -1.802   0.534   0.588  0.00  0.00    -0.152 NA
ATOM     30  C   LIG    1       -1.931  -0.806   0.413  0.00  0.00    +0.080 A 
ATOM     31  C   LIG    1       -3.165  -1.394   0.160  0.00  0.00    +0.054 A 
ATOM     32  C   LIG    1       -5.270   1.673   0.232  0.00  0.00    +0.040 A 
BRANCH  21  34
ATOM     33  C   LIG    1       -8.576   1.958   1.178  0.00  0.00    +0.009 C 
ATOM     34  C   LIG    1       -7.728   2.036  -0.084  0.00  0.00    +0.037 C 
ENDBRANCH  21  34
ENDBRANCH  20  30
ENDBRANCH   1  20
TORSDOF 5