REMARK  Name = BDB022954
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.883  -3.459   0.446  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -1.653  -2.790  -0.177  0.00  0.00    +0.078 C 
ATOM      3  N   LIG    1       -1.578  -1.358   0.214  0.00  0.00    -0.292 N 
ATOM      4  C   LIG    1       -2.461  -0.476  -0.406  0.00  0.00    +0.220 C 
ATOM      5  O   LIG    1       -3.253  -0.876  -1.262  0.00  0.00    -0.275 OA
ATOM      6  C   LIG    1       -0.427  -0.954   1.039  0.00  0.00    +0.163 C 
ATOM      7  C   LIG    1        0.861  -1.501   0.469  0.00  0.00    +0.067 A 
ATOM      8  C   LIG    1        0.859  -2.813   0.038  0.00  0.00    -0.005 A 
ATOM      9  C   LIG    1        2.058  -3.281  -0.434  0.00  0.00    +0.120 A 
ATOM     10  N   LIG    1        3.167  -2.523  -0.498  0.00  0.00    -0.223 NA
ATOM     11  C   LIG    1        3.076  -1.258  -0.059  0.00  0.00    +0.216 A 
ATOM     12  N   LIG    1        1.952  -0.713   0.425  0.00  0.00    -0.218 NA
ATOM     13  C   LIG    1       -0.390  -3.621   0.171  0.00  0.00    +0.060 C 
ENDROOT
BRANCH   4  14
ATOM     14  C   LIG    1       -2.477   0.993   0.036  0.00  0.00    +0.089 C 
ATOM     15  C   LIG    1       -3.054   1.105   1.464  0.00  0.00    +0.119 C 
ATOM     16  C   LIG    1       -4.585   1.043   1.465  0.00  0.00    +0.097 C 
ATOM     17  N   LIG    1       -5.187   2.017   0.553  0.00  0.00    -0.305 NA
ATOM     18  C   LIG    1       -6.648   1.984   0.653  0.00  0.00    +0.104 C 
ATOM     19  C   LIG    1       -4.769   1.766  -0.832  0.00  0.00    +0.085 C 
ATOM     20  C   LIG    1       -3.249   1.873  -0.965  0.00  0.00    +0.028 C 
BRANCH  15  21
ATOM     21  C   LIG    1       -2.541   2.347   2.172  0.00  0.00    +0.395 C 
ATOM     22  F   LIG    1       -2.843   3.501   1.552  0.00  0.00    -0.170 F 
ATOM     23  F   LIG    1       -1.189   2.285   2.269  0.00  0.00    -0.170 F 
ATOM     24  F   LIG    1       -3.014   2.411   3.438  0.00  0.00    -0.170 F 
ENDBRANCH  15  21
ENDBRANCH   4  14
BRANCH  11  25
ATOM     25  N   LIG    1        4.183  -0.426  -0.080  0.00  0.00    -0.309 N 
ATOM     26  H   LIG    1        3.838   0.523   0.005  0.00  0.00    +0.149 HD
BRANCH  25  27
ATOM     27  C   LIG    1        5.069  -0.652  -1.202  0.00  0.00    +0.139 C 
BRANCH  27  28
ATOM     28  C   LIG    1        6.102   0.452  -1.245  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1        7.131   0.494  -0.292  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1        8.081   1.516  -0.320  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        8.010   2.509  -1.296  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        6.987   2.482  -2.242  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        6.035   1.461  -2.216  0.00  0.00    +0.005 A 
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH  11  25
TORSDOF 5