REMARK  Name = BDB022901
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.882  -2.662  -1.513  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -1.176  -1.223  -1.070  0.00  0.00    +0.078 C 
ATOM      3  N   LIG    1       -1.062  -1.077   0.391  0.00  0.00    -0.292 N 
ATOM      4  C   LIG    1       -2.087  -1.404   1.283  0.00  0.00    +0.220 C 
ATOM      5  O   LIG    1       -1.823  -1.767   2.432  0.00  0.00    -0.275 OA
ATOM      6  C   LIG    1        0.298  -1.140   0.945  0.00  0.00    +0.163 C 
ATOM      7  C   LIG    1        1.375  -0.543   0.068  0.00  0.00    +0.067 A 
ATOM      8  C   LIG    1        1.095  -0.133  -1.222  0.00  0.00    -0.005 A 
ATOM      9  C   LIG    1        2.159   0.391  -1.919  0.00  0.00    +0.120 A 
ATOM     10  N   LIG    1        3.404   0.485  -1.420  0.00  0.00    -0.223 NA
ATOM     11  C   LIG    1        3.594   0.037  -0.174  0.00  0.00    +0.216 A 
ATOM     12  N   LIG    1        2.620  -0.468   0.593  0.00  0.00    -0.218 NA
ATOM     13  C   LIG    1       -0.285  -0.196  -1.790  0.00  0.00    +0.060 C 
ENDROOT
BRANCH   4  14
ATOM     14  C   LIG    1       -3.542  -1.292   0.795  0.00  0.00    +0.085 C 
ATOM     15  C   LIG    1       -3.919   0.189   0.489  0.00  0.00    +0.045 C 
ATOM     16  C   LIG    1       -4.965   0.757   1.478  0.00  0.00    +0.093 C 
ATOM     17  N   LIG    1       -4.590   0.402   2.843  0.00  0.00    -0.305 NA
ATOM     18  C   LIG    1       -5.347   1.157   3.836  0.00  0.00    +0.104 C 
ATOM     19  C   LIG    1       -4.689  -1.042   3.087  0.00  0.00    +0.085 C 
ATOM     20  C   LIG    1       -4.507  -1.901   1.827  0.00  0.00    +0.029 C 
BRANCH  15  21
ATOM     21  C   LIG    1       -4.414   0.417  -0.937  0.00  0.00    -0.042 A 
ATOM     22  C   LIG    1       -5.400  -0.394  -1.520  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -5.834  -0.158  -2.826  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -5.296   0.895  -3.562  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -4.329   1.718  -2.992  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -3.894   1.484  -1.687  0.00  0.00    +0.004 A 
ENDBRANCH  15  21
ENDBRANCH   4  14
BRANCH  11  27
ATOM     27  N   LIG    1        4.848   0.078   0.420  0.00  0.00    -0.311 N 
ATOM     28  H   LIG    1        4.655  -0.030   1.411  0.00  0.00    +0.149 HD
BRANCH  27  29
ATOM     29  C   LIG    1        5.699   1.202   0.046  0.00  0.00    +0.074 C 
ATOM     30  C   LIG    1        6.458   0.862  -1.259  0.00  0.00    +0.028 C 
ATOM     31  C   LIG    1        7.859   1.458  -1.288  0.00  0.00    +0.077 C 
ATOM     32  C   LIG    1        8.707   0.936  -0.136  0.00  0.00    +0.249 C 
ATOM     33  F   LIG    1        9.665   1.862   0.139  0.00  0.00    -0.206 F 
ATOM     34  F   LIG    1        9.366  -0.186  -0.521  0.00  0.00    -0.206 F 
ATOM     35  C   LIG    1        7.922   0.635   1.134  0.00  0.00    +0.077 C 
ATOM     36  C   LIG    1        6.667   1.498   1.216  0.00  0.00    +0.028 C 
ENDBRANCH  27  29
ENDBRANCH  11  27
TORSDOF 4