REMARK  Name = BDB021461
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.202  -1.139  -3.220  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -0.637  -1.695  -2.207  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1        0.172  -2.602  -1.526  0.00  0.00    -0.292 N 
ATOM      4  C   LIG    1       -0.212  -3.262  -0.290  0.00  0.00    +0.149 C 
ATOM      5  C   LIG    1       -1.550  -3.951  -0.458  0.00  0.00    +0.248 C 
ATOM      6  O   LIG    1       -2.602  -3.090  -0.062  0.00  0.00    -0.490 OA
ATOM      7  C   LIG    1       -2.824  -1.958  -0.791  0.00  0.00    +0.133 A 
ATOM      8  C   LIG    1       -4.079  -1.403  -0.461  0.00  0.00    +0.051 A 
ATOM      9  C   LIG    1       -4.567  -0.234  -1.058  0.00  0.00    -0.030 A 
ATOM     10  C   LIG    1       -3.775   0.383  -2.022  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1       -2.525  -0.150  -2.349  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1       -2.014  -1.321  -1.739  0.00  0.00    +0.078 A 
ENDROOT
BRANCH   3  13
ATOM     13  C   LIG    1        1.558  -2.752  -1.985  0.00  0.00    +0.140 C 
BRANCH  13  14
ATOM     14  C   LIG    1        2.478  -1.579  -1.576  0.00  0.00    +0.146 C 
BRANCH  14  15
ATOM     15  O   LIG    1        3.554  -1.504  -2.523  0.00  0.00    -0.389 OA
ATOM     16  H   LIG    1        3.159  -1.191  -3.358  0.00  0.00    +0.210 HD
ENDBRANCH  14  15
BRANCH  14  17
ATOM     17  C   LIG    1        3.049  -1.793  -0.153  0.00  0.00    +0.117 C 
BRANCH  17  18
ATOM     18  N   LIG    1        3.693  -0.656   0.530  0.00  0.00    -0.295 NA
ATOM     19  C   LIG    1        4.893  -0.169  -0.169  0.00  0.00    +0.120 C 
ATOM     20  C   LIG    1        5.563   0.984   0.554  0.00  0.00    -0.030 A 
ATOM     21  C   LIG    1        4.839   1.787   1.454  0.00  0.00    -0.042 A 
ATOM     22  C   LIG    1        5.467   2.871   2.081  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1        6.799   3.173   1.798  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        7.514   2.392   0.892  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        3.410   1.439   1.792  0.00  0.00    +0.051 C 
ATOM     26  C   LIG    1        6.899   1.304   0.270  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1        2.780   0.462   0.787  0.00  0.00    +0.089 C 
ENDBRANCH  17  18
ENDBRANCH  14  17
ENDBRANCH  13  14
ENDBRANCH   3  13
BRANCH   9  28
ATOM     28  C   LIG    1       -5.918   0.329  -0.679  0.00  0.00    +0.119 C 
BRANCH  28  29
ATOM     29  N   LIG    1       -5.943   1.330   0.383  0.00  0.00    -0.292 NA
ATOM     30  C   LIG    1       -5.573   0.871   1.731  0.00  0.00    +0.160 C 
ATOM     31  C   LIG    1       -5.135   2.138   2.471  0.00  0.00    +0.262 C 
ATOM     32  F   LIG    1       -3.824   2.051   2.810  0.00  0.00    -0.204 F 
ATOM     33  F   LIG    1       -5.833   2.342   3.606  0.00  0.00    -0.204 F 
ATOM     34  C   LIG    1       -5.336   3.270   1.487  0.00  0.00    +0.092 C 
ATOM     35  C   LIG    1       -5.201   2.565   0.147  0.00  0.00    +0.091 C 
ENDBRANCH  28  29
ENDBRANCH   9  28
TORSDOF 7