REMARK  Name = BDB002322
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.489  -1.735   1.049  0.00  0.00    +0.237 C 
ATOM      2  N   LIG    1       -1.393  -2.086   1.814  0.00  0.00    -0.288 N 
ATOM      3  C   LIG    1       -0.222  -1.257   2.125  0.00  0.00    +0.162 C 
ATOM      4  C   LIG    1        0.510  -2.084   3.184  0.00  0.00    +0.033 C 
ATOM      5  C   LIG    1        0.262  -3.521   2.718  0.00  0.00    +0.021 C 
ATOM      6  C   LIG    1       -1.155  -3.481   2.159  0.00  0.00    +0.109 C 
ATOM      7  O   LIG    1       -3.313  -2.585   0.688  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        0.651  -1.061   0.857  0.00  0.00    +0.234 C 
ATOM      9  N   LIG    1        1.781  -0.287   1.039  0.00  0.00    -0.307 N 
ATOM     10  H   LIG    1        1.944   0.213   1.902  0.00  0.00    +0.149 HD
ATOM     11  O   LIG    1        0.353  -1.533  -0.240  0.00  0.00    -0.274 OA
BRANCH   9  12
ATOM     12  C   LIG    1        2.622   0.058  -0.109  0.00  0.00    +0.103 C 
ATOM     13  C   LIG    1        4.046   0.334   0.338  0.00  0.00    -0.024 A 
ATOM     14  C   LIG    1        4.729   1.504  -0.044  0.00  0.00    -0.042 A 
ATOM     15  C   LIG    1        6.061   1.692   0.347  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1        6.713   0.737   1.127  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        6.045  -0.423   1.505  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        4.082   2.498  -0.980  0.00  0.00    +0.035 C 
ATOM     19  C   LIG    1        2.580   2.555  -0.742  0.00  0.00    +0.007 C 
ATOM     20  C   LIG    1        4.727  -0.631   1.098  0.00  0.00    +0.006 A 
ATOM     21  C   LIG    1        1.952   1.175  -0.947  0.00  0.00    +0.027 C 
ENDBRANCH   9  12
ENDBRANCH   3   8
BRANCH   1  22
ATOM     22  C   LIG    1       -2.642  -0.261   0.606  0.00  0.00    +0.162 C 
BRANCH  22  24
ATOM     23  C   LIG    1       -2.301   0.766  -1.623  0.00  0.00    +0.230 C 
ATOM     24  N   LIG    1       -2.764  -0.270  -0.847  0.00  0.00    -0.302 N 
ATOM     25  H   LIG    1       -3.208  -1.080  -1.278  0.00  0.00    +0.150 HD
ATOM     26  O   LIG    1       -1.800   1.786  -1.142  0.00  0.00    -0.274 OA
BRANCH  23  27
ATOM     27  C   LIG    1       -2.398   0.525  -3.149  0.00  0.00    +0.137 C 
ATOM     28  C   LIG    1       -1.022   0.037  -3.632  0.00  0.00    +0.034 C 
BRANCH  27  30
ATOM     29  C   LIG    1       -2.936   1.714  -5.234  0.00  0.00    +0.101 C 
ATOM     30  N   LIG    1       -2.859   1.780  -3.783  0.00  0.00    -0.309 NA
ATOM     31  H   LIG    1       -2.234   2.535  -3.494  0.00  0.00    +0.122 HD
ENDBRANCH  27  30
ENDBRANCH  23  27
ENDBRANCH  22  24
BRANCH  22  32
ATOM     32  C   LIG    1       -3.822   0.475   1.278  0.00  0.00    +0.012 C 
ATOM     33  C   LIG    1       -3.602   0.619   2.785  0.00  0.00    +0.009 C 
ATOM     34  C   LIG    1       -5.199  -0.145   1.004  0.00  0.00    +0.009 C 
ENDBRANCH  22  32
ENDBRANCH   1  22
TORSDOF 7