REMARK  Name = BDB057303
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.000  -1.587  -1.566  0.00  0.00    +0.237 C 
ATOM      2  N   LIG    1        1.014  -1.978  -2.446  0.00  0.00    -0.288 N 
ATOM      3  C   LIG    1       -0.275  -1.322  -2.684  0.00  0.00    +0.162 C 
ATOM      4  C   LIG    1       -0.913  -2.119  -3.832  0.00  0.00    +0.033 C 
ATOM      5  C   LIG    1        0.224  -2.970  -4.391  0.00  0.00    +0.021 C 
ATOM      6  C   LIG    1        1.106  -3.220  -3.182  0.00  0.00    +0.109 C 
ATOM      7  O   LIG    1        2.982  -2.301  -1.331  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1       -1.200  -1.393  -1.450  0.00  0.00    +0.234 C 
ATOM      9  N   LIG    1       -2.260  -0.504  -1.494  0.00  0.00    -0.310 N 
ATOM     10  H   LIG    1       -2.199   0.271  -2.142  0.00  0.00    +0.149 HD
ATOM     11  O   LIG    1       -1.022  -2.175  -0.521  0.00  0.00    -0.274 OA
BRANCH   9  12
ATOM     12  C   LIG    1       -3.092  -0.310  -0.313  0.00  0.00    +0.082 C 
ATOM     13  C   LIG    1       -2.385   0.527   0.781  0.00  0.00    +0.058 C 
ATOM     14  C   LIG    1       -3.547   1.197   1.445  0.00  0.00    -0.042 A 
ATOM     15  C   LIG    1       -4.694   1.131   0.649  0.00  0.00    -0.042 A 
ATOM     16  C   LIG    1       -5.879   1.722   1.055  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1       -5.904   2.377   2.288  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -4.752   2.445   3.086  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -3.559   1.856   2.663  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1       -4.417   0.415  -0.635  0.00  0.00    +0.058 C 
ENDBRANCH   9  12
ENDBRANCH   3   8
BRANCH   1  21
ATOM     21  C   LIG    1        1.892  -0.182  -0.925  0.00  0.00    +0.162 C 
BRANCH  21  23
ATOM     22  C   LIG    1        2.083   0.344   1.494  0.00  0.00    +0.230 C 
ATOM     23  N   LIG    1        2.598  -0.224   0.350  0.00  0.00    -0.302 N 
ATOM     24  H   LIG    1        3.351  -0.902   0.418  0.00  0.00    +0.150 HD
ATOM     25  O   LIG    1        1.053   1.019   1.500  0.00  0.00    -0.274 OA
BRANCH  22  26
ATOM     26  C   LIG    1        2.883   0.024   2.777  0.00  0.00    +0.137 C 
ATOM     27  C   LIG    1        2.258  -1.217   3.414  0.00  0.00    +0.034 C 
BRANCH  26  29
ATOM     28  C   LIG    1        3.521   1.031   4.922  0.00  0.00    +0.101 C 
ATOM     29  N   LIG    1        2.880   1.224   3.634  0.00  0.00    -0.309 NA
ATOM     30  H   LIG    1        1.911   1.530   3.756  0.00  0.00    +0.122 HD
ENDBRANCH  26  29
ENDBRANCH  22  26
ENDBRANCH  21  23
BRANCH  21  31
ATOM     31  C   LIG    1        2.440   0.903  -1.883  0.00  0.00    +0.012 C 
ATOM     32  C   LIG    1        2.045   2.307  -1.418  0.00  0.00    +0.009 C 
ATOM     33  C   LIG    1        3.958   0.830  -2.076  0.00  0.00    +0.009 C 
ENDBRANCH  21  31
ENDBRANCH   1  21
TORSDOF 7