REMARK  Name = BDB055725
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.215  -1.613   0.135  0.00  0.00    -0.041 A 
ATOM      2  C   LIG    1        1.137  -0.722   0.039  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1        0.339  -0.462   1.160  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1        0.635  -1.058   2.383  0.00  0.00    +0.135 A 
ATOM      5  F   LIG    1       -0.099  -0.795   3.473  0.00  0.00    -0.205 F 
ATOM      6  C   LIG    1        1.697  -1.951   2.489  0.00  0.00    +0.039 A 
ATOM      7  C   LIG    1        2.482  -2.231   1.367  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1       -0.748   0.525   1.044  0.00  0.00    +0.250 C 
ATOM      9  N   LIG    1       -2.059   0.140   1.306  0.00  0.00    -0.289 N 
ATOM     10  C   LIG    1       -3.189   1.084   1.204  0.00  0.00    +0.125 C 
ATOM     11  C   LIG    1       -2.891   2.591   1.079  0.00  0.00    +0.131 C 
ATOM     12  N   LIG    1       -4.122   3.361   1.036  0.00  0.00    -0.309 N 
ATOM     13  H   LIG    1       -4.100   4.348   1.263  0.00  0.00    +0.149 HD
ATOM     14  C   LIG    1       -5.155   2.998   0.204  0.00  0.00    +0.244 C 
ATOM     15  C   LIG    1       -5.118   1.613  -0.350  0.00  0.00    +0.042 A 
ATOM     16  C   LIG    1       -6.055   1.250  -1.323  0.00  0.00    +0.013 A 
ATOM     17  C   LIG    1       -6.044  -0.038  -1.856  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1       -5.104  -0.971  -1.416  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1       -4.169  -0.628  -0.429  0.00  0.00    -0.040 A 
ATOM     20  C   LIG    1       -3.143  -1.644   0.015  0.00  0.00    +0.054 C 
ATOM     21  O   LIG    1       -6.060   3.779  -0.061  0.00  0.00    -0.270 OA
ATOM     22  C   LIG    1       -4.161   0.680   0.099  0.00  0.00    -0.010 A 
ATOM     23  C   LIG    1       -2.494  -1.261   1.347  0.00  0.00    +0.113 C 
ATOM     24  O   LIG    1       -0.404   1.652   0.698  0.00  0.00    -0.270 OA
ENDBRANCH   3   8
BRANCH   1  25
ATOM     25  C   LIG    1        3.093  -1.890  -1.063  0.00  0.00    +0.092 C 
BRANCH  25  33
ATOM     26  C   LIG    1        6.321   2.010  -0.863  0.00  0.00    +0.049 C 
ATOM     27  C   LIG    1        5.962   0.562  -0.800  0.00  0.00    +0.017 A 
ATOM     28  C   LIG    1        7.063  -0.397  -0.524  0.00  0.00    +0.268 A 
ATOM     29  O   LIG    1        8.220  -0.021  -0.362  0.00  0.00    -0.266 OA
ATOM     30  N   LIG    1        6.709  -1.721  -0.462  0.00  0.00    -0.243 N 
ATOM     31  H   LIG    1        7.449  -2.389  -0.274  0.00  0.00    +0.192 HD
ATOM     32  N   LIG    1        5.454  -2.228  -0.630  0.00  0.00    -0.176 NA
ATOM     33  C   LIG    1        4.509  -1.372  -0.875  0.00  0.00    +0.066 A 
ATOM     34  C   LIG    1        4.721   0.092  -0.974  0.00  0.00    +0.034 A 
ENDBRANCH  25  33
ENDBRANCH   1  25
TORSDOF 3