REMARK  Name = BDB002381
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.784  -0.850   0.375  0.00  0.00    +0.237 C 
ATOM      2  N   LIG    1        0.458  -1.429   0.556  0.00  0.00    -0.288 N 
ATOM      3  C   LIG    1        1.660  -0.760   0.052  0.00  0.00    +0.162 C 
ATOM      4  C   LIG    1        2.796  -1.363   0.883  0.00  0.00    +0.033 C 
ATOM      5  C   LIG    1        2.289  -2.764   1.207  0.00  0.00    +0.021 C 
ATOM      6  C   LIG    1        0.796  -2.555   1.411  0.00  0.00    +0.109 C 
ATOM      7  O   LIG    1       -0.880   0.259  -0.159  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        1.863  -1.076  -1.451  0.00  0.00    +0.238 C 
ATOM      9  N   LIG    1        2.722  -0.322  -2.214  0.00  0.00    -0.283 N 
ATOM     10  H   LIG    1        3.043  -0.848  -3.018  0.00  0.00    +0.155 HD
ATOM     11  O   LIG    1        1.383  -2.089  -1.974  0.00  0.00    -0.273 OA
BRANCH   9  12
ATOM     12  C   LIG    1        3.474   0.802  -1.816  0.00  0.00    +0.046 A 
ATOM     13  C   LIG    1        2.842   2.016  -1.414  0.00  0.00    +0.022 A 
ATOM     14  C   LIG    1        3.636   3.100  -0.982  0.00  0.00    +0.073 A 
ATOM     15  N   LIG    1        3.123   4.270  -0.561  0.00  0.00    -0.255 NA
ATOM     16  C   LIG    1        1.782   4.427  -0.594  0.00  0.00    +0.111 A 
ATOM     17  C   LIG    1        0.911   3.461  -1.044  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        5.014   2.970  -1.014  0.00  0.00    +0.029 A 
ATOM     19  C   LIG    1        5.637   1.814  -1.484  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1        1.450   2.252  -1.469  0.00  0.00    +0.013 A 
ATOM     21  C   LIG    1        4.877   0.720  -1.903  0.00  0.00    -0.029 A 
ATOM     22  C   LIG    1        5.582  -0.516  -2.391  0.00  0.00    +0.045 C 
ENDBRANCH   9  12
ENDBRANCH   3   8
BRANCH   1  23
ATOM     23  C   LIG    1       -2.031  -1.641   0.855  0.00  0.00    +0.162 C 
BRANCH  23  25
ATOM     24  C   LIG    1       -3.899   0.031   0.463  0.00  0.00    +0.230 C 
ATOM     25  N   LIG    1       -3.104  -0.744   1.284  0.00  0.00    -0.302 N 
ATOM     26  H   LIG    1       -2.975  -0.289   2.186  0.00  0.00    +0.150 HD
ATOM     27  O   LIG    1       -3.980  -0.075  -0.753  0.00  0.00    -0.274 OA
BRANCH  24  28
ATOM     28  C   LIG    1       -4.758   1.030   1.278  0.00  0.00    +0.137 C 
ATOM     29  C   LIG    1       -5.407   2.090   0.392  0.00  0.00    +0.034 C 
BRANCH  28  31
ATOM     30  C   LIG    1       -2.940   2.523   2.015  0.00  0.00    +0.101 C 
ATOM     31  N   LIG    1       -3.981   1.581   2.426  0.00  0.00    -0.309 NA
ATOM     32  H   LIG    1       -4.634   2.082   3.031  0.00  0.00    +0.122 HD
ENDBRANCH  28  31
ENDBRANCH  24  28
ENDBRANCH  23  25
BRANCH  23  33
ATOM     33  C   LIG    1       -2.412  -2.832  -0.064  0.00  0.00    +0.012 C 
ATOM     34  C   LIG    1       -3.633  -3.590   0.464  0.00  0.00    +0.009 C 
ATOM     35  C   LIG    1       -2.585  -2.518  -1.551  0.00  0.00    +0.009 C 
ENDBRANCH  23  33
ENDBRANCH   1  23
TORSDOF 7