REMARK  Name = BDB034409
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.470  -1.471  -0.673  0.00  0.00    -0.287 NA
ATOM      2  C   LIG    1       -0.910  -1.949   0.445  0.00  0.00    +0.049 C 
ATOM      3  C   LIG    1       -1.671  -1.271   1.626  0.00  0.00    +0.104 C 
ATOM      4  C   LIG    1       -2.863  -2.174   1.954  0.00  0.00    +0.020 C 
ATOM      5  C   LIG    1       -4.158  -1.824   2.034  0.00  0.00    +0.020 C 
ATOM      6  C   LIG    1       -4.806  -0.574   1.733  0.00  0.00    +0.005 C 
ATOM      7  C   LIG    1       -4.292   0.655   1.560  0.00  0.00    -0.047 C 
ATOM      8  C   LIG    1       -2.897   1.013   1.688  0.00  0.00    +0.000 C 
ATOM      9  N   LIG    1       -2.482  -3.504   2.164  0.00  0.00    -0.323 N 
ATOM     10  H   LIG    1       -3.225  -4.153   2.414  0.00  0.00    +0.151 HD
ATOM     11  C   LIG    1       -1.410  -4.063   1.504  0.00  0.00    +0.073 C 
ATOM     12  C   LIG    1       -1.821   0.217   1.688  0.00  0.00    -0.011 C 
ATOM     13  C   LIG    1       -0.608  -3.404   0.660  0.00  0.00    +0.039 C 
ENDROOT
BRANCH   1  14
ATOM     14  C   LIG    1       -0.710  -0.125  -1.161  0.00  0.00    +0.143 C 
BRANCH  14  15
ATOM     15  C   LIG    1        0.506   0.767  -0.912  0.00  0.00    +0.038 C 
BRANCH  15  16
ATOM     16  C   LIG    1        1.725   0.410  -1.779  0.00  0.00    +0.083 C 
BRANCH  16  17
ATOM     17  N   LIG    1        2.244  -0.955  -1.586  0.00  0.00    -0.312 NA
ATOM     18  H   LIG    1        1.413  -1.561  -1.502  0.00  0.00    +0.122 HD
BRANCH  17  19
ATOM     19  C   LIG    1        3.001  -1.106  -0.332  0.00  0.00    +0.120 C 
BRANCH  19  22
ATOM     20  C   LIG    1        6.508   0.011  -1.480  0.00  0.00    +0.162 A 
ATOM     21  C   LIG    1        5.207  -0.518  -1.497  0.00  0.00    +0.163 A 
ATOM     22  C   LIG    1        4.375  -0.473  -0.363  0.00  0.00    +0.011 A 
ATOM     23  C   LIG    1        4.880   0.114   0.806  0.00  0.00    +0.009 A 
ATOM     24  C   LIG    1        6.168   0.650   0.833  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        6.979   0.599  -0.304  0.00  0.00    +0.049 A 
BRANCH  20  27
ATOM     26  C   LIG    1        8.549   0.410  -2.648  0.00  0.00    +0.277 C 
ATOM     27  O   LIG    1        7.220  -0.087  -2.647  0.00  0.00    -0.491 OA
ENDBRANCH  20  27
BRANCH  21  28
ATOM     28  O   LIG    1        4.745  -1.082  -2.663  0.00  0.00    -0.503 OA
ATOM     29  H   LIG    1        3.770  -1.161  -2.565  0.00  0.00    +0.292 HD
ENDBRANCH  21  28
ENDBRANCH  19  22
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH   1  14
BRANCH   7  30
ATOM     30  C   LIG    1       -5.241   1.814   1.281  0.00  0.00    +0.038 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -5.599   2.002  -0.209  0.00  0.00    -0.013 C 
ATOM     32  C   LIG    1       -4.390   2.380  -1.066  0.00  0.00    +0.007 C 
ATOM     33  C   LIG    1       -6.681   3.078  -0.347  0.00  0.00    +0.007 C 
ENDBRANCH  30  31
ENDBRANCH   7  30
TORSDOF 10