REMARK  Name = BDB043106
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.077  -0.221   1.131  0.00  0.00    +0.159 C 
ATOM      2  C   LIG    1        1.610  -0.015   0.728  0.00  0.00    +0.236 C 
ATOM      3  O   LIG    1        1.050  -0.791  -0.051  0.00  0.00    -0.274 OA
ATOM      4  N   LIG    1        0.972   1.088   1.261  0.00  0.00    -0.292 N 
ATOM      5  C   LIG    1        1.454   1.911   2.371  0.00  0.00    +0.077 C 
ATOM      6  C   LIG    1        0.407   3.027   2.462  0.00  0.00    +0.028 C 
ATOM      7  C   LIG    1       -0.892   2.327   2.059  0.00  0.00    +0.014 C 
ATOM      8  C   LIG    1       -1.967   3.296   1.567  0.00  0.00    +0.021 C 
ATOM      9  C   LIG    1       -2.860   2.620   0.526  0.00  0.00    +0.085 C 
ATOM     10  N   LIG    1       -2.121   2.238  -0.690  0.00  0.00    -0.300 NA
ATOM     11  C   LIG    1       -0.710   1.881  -0.430  0.00  0.00    +0.107 C 
ATOM     12  C   LIG    1        2.880   2.476   2.250  0.00  0.00    +0.022 C 
ATOM     13  C   LIG    1        3.513   2.321   0.872  0.00  0.00    +0.004 C 
ATOM     14  C   LIG    1       -0.446   1.325   0.983  0.00  0.00    +0.094 C 
ATOM     15  C   LIG    1        3.970   0.890   0.569  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   1  17
ATOM     16  C   LIG    1        4.547  -2.225   1.172  0.00  0.00    +0.230 C 
ATOM     17  N   LIG    1        3.498  -1.526   0.627  0.00  0.00    -0.303 N 
ATOM     18  H   LIG    1        2.877  -1.968  -0.046  0.00  0.00    +0.149 HD
ATOM     19  O   LIG    1        5.237  -1.779   2.088  0.00  0.00    -0.274 OA
BRANCH  16  20
ATOM     20  C   LIG    1        4.770  -3.621   0.550  0.00  0.00    +0.137 C 
ATOM     21  C   LIG    1        3.764  -4.598   1.152  0.00  0.00    +0.034 C 
BRANCH  20  23
ATOM     22  C   LIG    1        7.127  -3.445  -0.012  0.00  0.00    +0.101 C 
ATOM     23  N   LIG    1        6.137  -4.110   0.829  0.00  0.00    -0.309 NA
ATOM     24  H   LIG    1        6.346  -3.882   1.806  0.00  0.00    +0.122 HD
ENDBRANCH  20  23
ENDBRANCH  16  20
ENDBRANCH   1  17
BRANCH  10  25
ATOM     25  C   LIG    1       -2.809   1.161  -1.432  0.00  0.00    +0.089 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -4.214   1.554  -1.924  0.00  0.00    +0.054 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -4.833   0.466  -2.777  0.00  0.00    -0.005 A 
ATOM     28  C   LIG    1       -5.438  -0.665  -2.197  0.00  0.00    +0.123 A 
ATOM     29  C   LIG    1       -5.980  -1.655  -3.024  0.00  0.00    +0.046 A 
ATOM     30  C   LIG    1       -5.920  -1.528  -4.414  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -5.319  -0.414  -4.990  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -4.775   0.578  -4.176  0.00  0.00    +0.007 A 
BRANCH  28  33
ATOM     33  O   LIG    1       -5.441  -0.705  -0.827  0.00  0.00    -0.495 OA
ATOM     34  C   LIG    1       -6.067  -1.819  -0.206  0.00  0.00    +0.277 C 
ENDBRANCH  28  33
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  10  25
TORSDOF 7