REMARK  Name = BDB049888
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.460  -1.724   1.256  0.00  0.00    -0.300 N 
ATOM      2  C   LIG    1       -1.605  -1.020   0.812  0.00  0.00    +0.038 A 
ATOM      3  C   LIG    1       -2.639  -0.673   1.701  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1       -3.774   0.017   1.237  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -3.903   0.386  -0.108  0.00  0.00    -0.006 A 
ATOM      6  C   LIG    1       -2.883   0.055  -1.011  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1       -2.588  -1.072   3.153  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1       -1.181  -1.444   3.585  0.00  0.00    +0.024 C 
ATOM      9  C   LIG    1       -1.760  -0.655  -0.537  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1       -0.567  -2.390   2.563  0.00  0.00    +0.111 C 
ENDROOT
BRANCH   1  21
ATOM     11  C   LIG    1        7.093   2.772   0.387  0.00  0.00    +0.129 C 
ATOM     12  N   LIG    1        6.510   1.615  -0.250  0.00  0.00    -0.302 N 
ATOM     13  H   LIG    1        6.907   0.731   0.024  0.00  0.00    +0.150 HD
ATOM     14  C   LIG    1        5.149   1.573  -0.451  0.00  0.00    +0.302 C 
ATOM     15  N   LIG    1        4.691   0.408  -1.050  0.00  0.00    -0.278 N 
ATOM     16  C   LIG    1        3.258   0.284  -1.295  0.00  0.00    +0.148 C 
ATOM     17  C   LIG    1        2.651  -0.973  -0.716  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1        3.195  -2.257  -0.837  0.00  0.00    +0.125 A 
ATOM     19  C   LIG    1        2.547  -3.344  -0.238  0.00  0.00    +0.048 A 
ATOM     20  C   LIG    1        1.345  -3.179   0.454  0.00  0.00    +0.027 A 
ATOM     21  C   LIG    1        0.757  -1.918   0.569  0.00  0.00    +0.034 A 
ATOM     22  O   LIG    1        4.353  -2.616  -1.469  0.00  0.00    -0.490 OA
ATOM     23  C   LIG    1        4.887  -1.704  -2.423  0.00  0.00    +0.248 C 
ATOM     24  C   LIG    1        1.428  -0.834  -0.018  0.00  0.00    +0.032 A 
ATOM     25  C   LIG    1        5.581  -0.529  -1.740  0.00  0.00    +0.150 C 
ATOM     26  O   LIG    1        4.420   2.509  -0.135  0.00  0.00    -0.253 OA
ENDBRANCH   1  21
BRANCH   5  27
ATOM     27  C   LIG    1       -5.097   1.095  -0.520  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1       -5.477   2.325  -0.026  0.00  0.00    +0.116 A 
ATOM     29  N   LIG    1       -6.640   2.645  -0.665  0.00  0.00    -0.274 N 
ATOM     30  C   LIG    1       -7.428   3.840  -0.489  0.00  0.00    +0.172 C 
ATOM     31  N   LIG    1       -7.044   1.710  -1.543  0.00  0.00    -0.179 NA
ATOM     32  C   LIG    1       -6.108   0.761  -1.447  0.00  0.00    +0.142 A 
ENDBRANCH   5  27
BRANCH   6  33
ATOM     33  C   LIG    1       -2.956   0.418  -2.472  0.00  0.00    +0.372 C 
ATOM     34  F   LIG    1       -3.811  -0.386  -3.164  0.00  0.00    -0.204 F 
ATOM     35  F   LIG    1       -1.756   0.307  -3.116  0.00  0.00    -0.204 F 
ENDBRANCH   6  33
TORSDOF 3