REMARK  Name = BDB021175
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.905   0.546  -0.009  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1        1.354  -0.646  -0.554  0.00  0.00    +0.150 A 
ATOM      3  N   LIG    1       -0.020  -0.701  -0.671  0.00  0.00    -0.271 N 
ATOM      4  C   LIG    1       -0.330  -1.931  -1.199  0.00  0.00    +0.129 A 
ATOM      5  C   LIG    1        0.877  -2.572  -1.391  0.00  0.00    +0.144 A 
ATOM      6  C   LIG    1       -0.866   0.358  -0.279  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -0.342   1.436   0.240  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        1.921  -1.758  -0.981  0.00  0.00    -0.222 NA
ATOM      9  C   LIG    1        1.029   1.498   0.370  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        6.021   1.032   0.800  0.00  0.00    +0.215 A 
ATOM     11  N   LIG    1        5.333   0.071   1.446  0.00  0.00    -0.221 NA
ATOM     12  C   LIG    1        4.021  -0.040   1.131  0.00  0.00    +0.123 A 
ATOM     13  C   LIG    1        3.348   0.767   0.210  0.00  0.00    +0.008 A 
ATOM     14  C   LIG    1        4.102   1.743  -0.467  0.00  0.00    -0.036 A 
ATOM     15  C   LIG    1        3.505   2.653  -1.503  0.00  0.00    +0.044 C 
ATOM     16  C   LIG    1        5.461   1.877  -0.146  0.00  0.00    +0.071 A 
BRANCH  10  18
ATOM     17  C   LIG    1        7.871   0.308   2.034  0.00  0.00    +0.279 C 
ATOM     18  O   LIG    1        7.364   1.218   1.064  0.00  0.00    -0.480 OA
ENDBRANCH  10  18
ENDBRANCH   1  13
BRANCH   5  19
ATOM     19  C   LIG    1        1.074  -3.913  -1.935  0.00  0.00    +0.261 C 
ATOM     20  O   LIG    1        0.164  -4.646  -2.303  0.00  0.00    -0.269 OA
ATOM     21  N   LIG    1        2.385  -4.285  -2.001  0.00  0.00    -0.324 N 
ATOM     22  H   LIG    1        2.628  -5.191  -2.370  0.00  0.00    +0.145 HD
ATOM     23  H   LIG    1        3.102  -3.639  -1.693  0.00  0.00    +0.145 HD
ENDBRANCH   5  19
BRANCH   6  24
ATOM     24  N   LIG    1       -2.226   0.215  -0.450  0.00  0.00    -0.310 N 
ATOM     25  H   LIG    1       -2.537  -0.457  -1.144  0.00  0.00    +0.149 HD
BRANCH  24  26
ATOM     26  C   LIG    1       -3.124   1.347  -0.309  0.00  0.00    +0.143 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -4.545   0.864  -0.307  0.00  0.00    +0.012 A 
ATOM     28  C   LIG    1       -5.080   0.134   0.751  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -4.438  -0.354   1.996  0.00  0.00    +0.080 C 
ATOM     30  C   LIG    1       -5.686  -0.784   2.765  0.00  0.00    +0.234 C 
ATOM     31  O   LIG    1       -6.756  -1.040   1.826  0.00  0.00    -0.491 OA
ATOM     32  C   LIG    1       -6.391  -0.324   0.716  0.00  0.00    +0.124 A 
ATOM     33  C   LIG    1       -7.225  -0.086  -0.357  0.00  0.00    +0.049 A 
ATOM     34  C   LIG    1       -6.715   0.650  -1.426  0.00  0.00    +0.042 A 
ATOM     35  C   LIG    1       -5.393   1.115  -1.393  0.00  0.00    +0.129 A 
ATOM     36  F   LIG    1       -4.934   1.806  -2.447  0.00  0.00    -0.205 F 
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH   6  24
TORSDOF 6