REMARK  Name = BDB002361
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.798   0.195  -0.734  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1       -0.979   1.301  -0.786  0.00  0.00    -0.303 N 
ATOM      3  H   LIG    1       -1.019   1.942  -0.002  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -1.588  -0.821  -1.401  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        0.303   1.236  -1.480  0.00  0.00    +0.156 C 
ATOM      6  C   LIG    1        0.643   2.587  -2.096  0.00  0.00    +0.038 C 
BRANCH   5   7
ATOM      7  C   LIG    1        1.399   0.835  -0.474  0.00  0.00    +0.233 C 
ATOM      8  N   LIG    1        2.542   0.320  -1.050  0.00  0.00    -0.311 N 
ATOM      9  H   LIG    1        2.621   0.307  -2.060  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1        1.279   1.012   0.737  0.00  0.00    -0.274 OA
BRANCH   8  11
ATOM     11  C   LIG    1        3.719  -0.019  -0.256  0.00  0.00    +0.078 C 
ATOM     12  C   LIG    1        4.533   1.238   0.094  0.00  0.00    +0.057 C 
ATOM     13  C   LIG    1        5.902   0.938   0.656  0.00  0.00    -0.042 A 
ATOM     14  C   LIG    1        6.495  -0.329   0.514  0.00  0.00    -0.044 A 
ATOM     15  C   LIG    1        7.777  -0.552   1.038  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1        8.474   0.476   1.673  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        7.895   1.735   1.796  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        5.759  -1.475  -0.133  0.00  0.00    +0.037 C 
ATOM     19  C   LIG    1        6.617   1.966   1.288  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1        4.596  -1.020  -1.010  0.00  0.00    +0.027 C 
ENDBRANCH   8  11
ENDBRANCH   5   7
ENDBRANCH   2   5
BRANCH   1  21
ATOM     21  C   LIG    1       -3.020   0.312   0.204  0.00  0.00    +0.161 C 
BRANCH  21  23
ATOM     22  C   LIG    1       -5.369  -0.436  -0.148  0.00  0.00    +0.230 C 
ATOM     23  N   LIG    1       -4.019  -0.621  -0.319  0.00  0.00    -0.302 N 
ATOM     24  H   LIG    1       -3.662  -1.395  -0.871  0.00  0.00    +0.150 HD
ATOM     25  O   LIG    1       -5.822   0.496   0.518  0.00  0.00    -0.274 OA
BRANCH  22  26
ATOM     26  C   LIG    1       -6.273  -1.528  -0.777  0.00  0.00    +0.137 C 
ATOM     27  C   LIG    1       -5.982  -1.724  -2.262  0.00  0.00    +0.034 C 
BRANCH  26  29
ATOM     28  C   LIG    1       -8.549  -2.248  -0.305  0.00  0.00    +0.101 C 
ATOM     29  N   LIG    1       -7.688  -1.119  -0.625  0.00  0.00    -0.309 NA
ATOM     30  H   LIG    1       -7.731  -0.435   0.139  0.00  0.00    +0.122 HD
ENDBRANCH  26  29
ENDBRANCH  22  26
ENDBRANCH  21  23
BRANCH  21  31
ATOM     31  C   LIG    1       -2.719   0.015   1.692  0.00  0.00    +0.012 C 
ATOM     32  C   LIG    1       -2.029   1.183   2.398  0.00  0.00    +0.009 C 
ATOM     33  C   LIG    1       -1.920  -1.274   1.898  0.00  0.00    +0.009 C 
ENDBRANCH  21  31
ENDBRANCH   1  21
TORSDOF 8