REMARK  Name = BDB043086
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.819   0.102   2.958  0.00  0.00    +0.159 C 
ATOM      2  C   LIG    1       -0.736  -0.148   1.887  0.00  0.00    +0.236 C 
ATOM      3  O   LIG    1        0.271   0.570   1.884  0.00  0.00    -0.274 OA
ATOM      4  N   LIG    1       -0.971  -1.040   0.853  0.00  0.00    -0.292 N 
ATOM      5  C   LIG    1       -1.929  -2.148   0.844  0.00  0.00    +0.077 C 
ATOM      6  C   LIG    1       -1.833  -2.678  -0.585  0.00  0.00    +0.028 C 
ATOM      7  C   LIG    1       -0.351  -2.528  -0.923  0.00  0.00    +0.014 C 
ATOM      8  C   LIG    1       -0.120  -2.400  -2.429  0.00  0.00    +0.021 C 
ATOM      9  C   LIG    1        1.228  -1.749  -2.742  0.00  0.00    +0.085 C 
ATOM     10  N   LIG    1        1.469  -0.487  -2.031  0.00  0.00    -0.301 NA
ATOM     11  C   LIG    1        0.412  -0.108  -1.080  0.00  0.00    +0.107 C 
ATOM     12  C   LIG    1       -3.364  -1.768   1.186  0.00  0.00    +0.022 C 
ATOM     13  C   LIG    1       -3.619  -1.730   2.689  0.00  0.00    +0.004 C 
ATOM     14  C   LIG    1        0.096  -1.284  -0.131  0.00  0.00    +0.094 C 
ATOM     15  C   LIG    1       -2.475  -1.156   3.522  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   1  17
ATOM     16  C   LIG    1       -3.543   1.846   3.330  0.00  0.00    +0.230 C 
ATOM     17  N   LIG    1       -2.757   1.108   2.474  0.00  0.00    -0.303 N 
ATOM     18  H   LIG    1       -2.728   1.349   1.492  0.00  0.00    +0.149 HD
ATOM     19  O   LIG    1       -3.544   1.682   4.551  0.00  0.00    -0.274 OA
BRANCH  16  20
ATOM     20  C   LIG    1       -4.420   2.918   2.637  0.00  0.00    +0.137 C 
ATOM     21  C   LIG    1       -3.822   4.290   2.953  0.00  0.00    +0.034 C 
BRANCH  20  23
ATOM     22  C   LIG    1       -6.737   3.727   2.601  0.00  0.00    +0.101 C 
ATOM     23  N   LIG    1       -5.808   2.726   3.095  0.00  0.00    -0.309 NA
ATOM     24  H   LIG    1       -5.810   2.719   4.118  0.00  0.00    +0.122 HD
ENDBRANCH  20  23
ENDBRANCH  16  20
ENDBRANCH   1  17
BRANCH  10  25
ATOM     25  C   LIG    1        1.858   0.623  -2.902  0.00  0.00    +0.085 C 
BRANCH  25  26
ATOM     26  C   LIG    1        3.252   0.473  -3.540  0.00  0.00    +0.019 C 
BRANCH  26  27
ATOM     27  C   LIG    1        4.444   0.620  -2.563  0.00  0.00    -0.010 C 
ATOM     28  C   LIG    1        5.766   0.815  -3.342  0.00  0.00    +0.003 C 
ATOM     29  C   LIG    1        6.504  -0.500  -3.565  0.00  0.00    +0.000 C 
ATOM     30  C   LIG    1        6.898  -1.159  -2.241  0.00  0.00    +0.000 C 
ATOM     31  C   LIG    1        5.968  -0.791  -1.083  0.00  0.00    +0.000 C 
ATOM     32  C   LIG    1        4.540  -0.556  -1.567  0.00  0.00    +0.003 C 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  10  25
TORSDOF 6