REMARK  Name = BDB032795
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -4.296  -0.415   0.095  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -3.698   0.836   0.029  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -4.112   1.893   0.461  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -2.439   0.666  -0.706  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -2.365  -0.656  -1.137  0.00  0.00    -0.018 A 
ATOM      6  C   LIG    1       -1.272  -1.093  -1.863  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1       -0.257  -0.170  -2.146  0.00  0.00    +0.007 A 
ATOM      8  C   LIG    1       -0.341   1.175  -1.714  0.00  0.00    -0.010 A 
ATOM      9  C   LIG    1       -1.453   1.598  -0.973  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1       -3.584  -1.399  -0.709  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1       -9.578   0.260   1.509  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -8.394   0.064   1.251  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1       -7.928   0.155  -0.037  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -8.607   0.421  -0.736  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -6.683  -0.191  -0.511  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1       -6.469  -0.227  -1.722  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1       -5.664  -0.649   0.545  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1       -5.980  -0.025   1.904  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1       -7.404  -0.380   2.302  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   8  20
ATOM     20  C   LIG    1        0.778   2.138  -2.021  0.00  0.00    +0.269 C 
BRANCH  20  21
ATOM     21  O   LIG    1        1.917   1.815  -1.217  0.00  0.00    -0.445 OA
BRANCH  21  22
ATOM     22  C   LIG    1        2.054   2.525  -0.073  0.00  0.00    +0.405 C 
ATOM     23  N   LIG    1        3.124   2.187   0.711  0.00  0.00    -0.251 N 
ATOM     24  H   LIG    1        3.162   2.773   1.535  0.00  0.00    +0.158 HD
ATOM     25  O   LIG    1        1.300   3.427   0.279  0.00  0.00    -0.226 OA
BRANCH  23  26
ATOM     26  C   LIG    1        4.125   1.207   0.584  0.00  0.00    +0.036 A 
ATOM     27  C   LIG    1        4.220   0.284  -0.454  0.00  0.00    +0.024 A 
ATOM     28  C   LIG    1        5.263  -0.654  -0.481  0.00  0.00    +0.008 A 
ATOM     29  C   LIG    1        6.247  -0.699   0.518  0.00  0.00    -0.011 A 
ATOM     30  C   LIG    1        6.129   0.226   1.565  0.00  0.00    +0.008 A 
ATOM     31  C   LIG    1        5.090   1.165   1.597  0.00  0.00    +0.024 A 
BRANCH  29  32
ATOM     32  C   LIG    1        7.356  -1.716   0.486  0.00  0.00    +0.137 C 
ATOM     33  C   LIG    1        8.799  -1.289   0.569  0.00  0.00    +0.049 C 
ATOM     34  C   LIG    1        8.257  -1.838  -0.716  0.00  0.00    +0.049 C 
ATOM     35  F   LIG    1        7.064  -2.918   1.123  0.00  0.00    -0.237 F 
ENDBRANCH  29  32
ENDBRANCH  23  26
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   8  20
TORSDOF 6