REMARK  Name = BDB037073
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.412   0.078   0.489  0.00  0.00    -0.222 N 
ATOM      2  C   LIG    1        1.786  -0.704  -0.444  0.00  0.00    +0.255 C 
ATOM      3  O   LIG    1        2.262  -1.521  -1.208  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        0.366  -0.361  -0.393  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1        0.213   0.646   0.541  0.00  0.00    +0.053 A 
ATOM      6  C   LIG    1       -1.017   1.204   0.821  0.00  0.00    +0.060 A 
ATOM      7  C   LIG    1       -2.114   0.700   0.120  0.00  0.00    +0.131 A 
ATOM      8  O   LIG    1       -3.331   1.270   0.397  0.00  0.00    -0.482 OA
ATOM      9  C   LIG    1       -4.511   0.532  -0.019  0.00  0.00    +0.141 C 
ATOM     10  C   LIG    1       -5.049  -0.515   1.001  0.00  0.00    +0.130 C 
ATOM     11  N   LIG    1       -6.413   0.015   0.816  0.00  0.00    -0.308 NA
ATOM     12  H   LIG    1       -6.973  -0.513   0.144  0.00  0.00    +0.122 HD
ATOM     13  C   LIG    1       -5.849   1.266   0.274  0.00  0.00    +0.130 C 
ATOM     14  C   LIG    1       -4.378   0.096  -1.472  0.00  0.00    +0.131 C 
ATOM     15  C   LIG    1       -3.180  -0.827  -1.591  0.00  0.00    +0.281 C 
ATOM     16  F   LIG    1       -2.925  -0.994  -2.922  0.00  0.00    -0.200 F 
ATOM     17  F   LIG    1       -3.548  -2.063  -1.145  0.00  0.00    -0.200 F 
ATOM     18  C   LIG    1       -1.974  -0.316  -0.849  0.00  0.00    +0.063 A 
ATOM     19  C   LIG    1       -0.705  -0.865  -1.106  0.00  0.00    +0.027 A 
ATOM     20  C   LIG    1        1.535   0.944   1.086  0.00  0.00    +0.255 C 
ATOM     21  O   LIG    1        1.758   1.805   1.915  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  28
ATOM     22  O   LIG    1        7.820  -0.218  -0.416  0.00  0.00    -0.275 OA
ATOM     23  C   LIG    1        6.640  -0.122  -0.090  0.00  0.00    +0.219 C 
ATOM     24  N   LIG    1        5.808   0.783  -0.701  0.00  0.00    -0.255 N 
ATOM     25  H   LIG    1        6.212   1.307  -1.467  0.00  0.00    +0.158 HD
ATOM     26  C   LIG    1        4.456   0.954  -0.505  0.00  0.00    +0.240 C 
ATOM     27  O   LIG    1        3.817   1.735  -1.208  0.00  0.00    -0.273 OA
ATOM     28  C   LIG    1        3.853   0.172   0.667  0.00  0.00    +0.171 C 
ATOM     29  C   LIG    1        4.557  -1.173   0.819  0.00  0.00    +0.041 C 
ATOM     30  C   LIG    1        6.045  -0.937   1.035  0.00  0.00    +0.098 C 
ENDBRANCH   1  28
TORSDOF 1