REMARK  Name = BDB002354
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.652  -0.023  -0.032  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1        0.551   0.703   0.343  0.00  0.00    -0.303 N 
ATOM      3  H   LIG    1        0.645   1.661   0.670  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        1.582  -1.204  -0.377  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -0.791   0.135   0.384  0.00  0.00    +0.156 C 
ATOM      6  C   LIG    1       -1.010  -0.641   1.678  0.00  0.00    +0.038 C 
BRANCH   5   7
ATOM      7  C   LIG    1       -1.786   1.305   0.286  0.00  0.00    +0.233 C 
ATOM      8  N   LIG    1       -3.075   1.057  -0.090  0.00  0.00    -0.310 N 
ATOM      9  H   LIG    1       -3.638   1.897  -0.166  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1       -1.456   2.457   0.582  0.00  0.00    -0.274 OA
BRANCH   8  11
ATOM     11  C   LIG    1       -3.558  -0.130  -0.763  0.00  0.00    +0.140 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -5.044  -0.054  -1.014  0.00  0.00    -0.023 A 
ATOM     13  C   LIG    1       -6.004  -0.257   0.018  0.00  0.00    -0.013 A 
ATOM     14  C   LIG    1       -7.382  -0.166  -0.305  0.00  0.00    -0.018 A 
ATOM     15  C   LIG    1       -8.354  -0.368   0.689  0.00  0.00    +0.008 A 
ATOM     16  C   LIG    1       -7.988  -0.653   2.003  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1       -6.644  -0.740   2.340  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1       -7.776   0.129  -1.619  0.00  0.00    +0.008 A 
ATOM     19  C   LIG    1       -6.831   0.340  -2.618  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1       -5.667  -0.544   1.361  0.00  0.00    +0.009 A 
ATOM     21  C   LIG    1       -5.476   0.252  -2.318  0.00  0.00    +0.006 A 
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   5   7
ENDBRANCH   2   5
BRANCH   1  22
ATOM     22  C   LIG    1        2.989   0.748  -0.016  0.00  0.00    +0.161 C 
BRANCH  22  24
ATOM     23  C   LIG    1        5.269   0.007   0.648  0.00  0.00    +0.230 C 
ATOM     24  N   LIG    1        4.044  -0.259   0.089  0.00  0.00    -0.302 N 
ATOM     25  H   LIG    1        3.802  -1.195  -0.222  0.00  0.00    +0.150 HD
ATOM     26  O   LIG    1        5.582   1.135   1.033  0.00  0.00    -0.274 OA
BRANCH  23  27
ATOM     27  C   LIG    1        6.259  -1.187   0.679  0.00  0.00    +0.137 C 
ATOM     28  C   LIG    1        5.654  -2.411   1.361  0.00  0.00    +0.034 C 
BRANCH  27  30
ATOM     29  C   LIG    1        8.685  -1.307   0.822  0.00  0.00    +0.101 C 
ATOM     30  N   LIG    1        7.470  -0.782   1.427  0.00  0.00    -0.309 NA
ATOM     31  H   LIG    1        7.507   0.244   1.423  0.00  0.00    +0.122 HD
ENDBRANCH  27  30
ENDBRANCH  23  27
ENDBRANCH  22  24
BRANCH  22  32
ATOM     32  C   LIG    1        3.203   1.657  -1.250  0.00  0.00    +0.012 C 
ATOM     33  C   LIG    1        2.301   2.893  -1.233  0.00  0.00    +0.009 C 
ATOM     34  C   LIG    1        3.042   0.910  -2.579  0.00  0.00    +0.009 C 
ENDBRANCH  22  32
ENDBRANCH   1  22
TORSDOF 9