REMARK  Name = BDB042552
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.811  -0.271  -0.500  0.00  0.00    +0.102 C 
ENDROOT
BRANCH   1   3
ATOM      2  O   LIG    1       -0.834  -1.031  -2.086  0.00  0.00    -0.276 OA
ATOM      3  C   LIG    1       -0.602  -0.481  -1.010  0.00  0.00    +0.216 C 
ATOM      4  N   LIG    1       -1.613  -0.023  -0.194  0.00  0.00    -0.301 N 
ATOM      5  C   LIG    1       -3.011  -0.139  -0.584  0.00  0.00    +0.116 C 
ATOM      6  C   LIG    1       -3.762   0.755   0.410  0.00  0.00    +0.038 C 
ATOM      7  C   LIG    1       -2.884   0.666   1.666  0.00  0.00    +0.028 C 
ATOM      8  C   LIG    1       -1.474   0.645   1.091  0.00  0.00    +0.108 C 
BRANCH   6   9
ATOM      9  C   LIG    1       -5.211   0.394   0.631  0.00  0.00    -0.043 A 
ATOM     10  C   LIG    1       -5.597  -0.876   1.093  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1       -6.945  -1.183   1.290  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1       -7.913  -0.223   1.027  0.00  0.00    +0.123 A 
ATOM     13  F   LIG    1       -9.205  -0.518   1.217  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1       -7.558   1.039   0.570  0.00  0.00    +0.038 A 
ATOM     15  C   LIG    1       -6.211   1.347   0.373  0.00  0.00    +0.007 A 
ENDBRANCH   6   9
ENDBRANCH   1   3
BRANCH   1  16
ATOM     16  C   LIG    1        1.852  -0.750  -1.512  0.00  0.00    +0.062 C 
BRANCH  16  17
ATOM     17  C   LIG    1        3.259  -0.503  -1.028  0.00  0.00    +0.020 A 
ATOM     18  N   LIG    1        3.727  -1.316  -0.021  0.00  0.00    -0.326 N 
ATOM     19  H   LIG    1        3.139  -2.052   0.353  0.00  0.00    +0.169 HD
ATOM     20  C   LIG    1        4.984  -1.239   0.539  0.00  0.00    +0.257 A 
ATOM     21  O   LIG    1        5.338  -1.990   1.440  0.00  0.00    -0.267 OA
ATOM     22  C   LIG    1        5.883  -0.194  -0.006  0.00  0.00    +0.049 A 
ATOM     23  C   LIG    1        5.411   0.632  -1.040  0.00  0.00    -0.011 A 
ATOM     24  C   LIG    1        6.252   1.620  -1.564  0.00  0.00    +0.011 A 
ATOM     25  C   LIG    1        7.545   1.775  -1.057  0.00  0.00    +0.039 A 
ATOM     26  C   LIG    1        7.992   0.945  -0.032  0.00  0.00    +0.124 A 
ATOM     27  F   LIG    1        9.233   1.104   0.446  0.00  0.00    -0.205 F 
ATOM     28  C   LIG    1        7.175  -0.042   0.502  0.00  0.00    +0.052 A 
ATOM     29  C   LIG    1        4.050   0.448  -1.551  0.00  0.00    +0.030 A 
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 4