REMARK  Name = BDB034461
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.748   0.017  -0.486  0.00  0.00    -0.343 N 
ATOM      2  H   LIG    1       -1.751   0.750   0.220  0.00  0.00    +0.146 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -3.050  -0.152  -1.028  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1       -4.235   0.129  -0.297  0.00  0.00    +0.021 A 
ATOM      5  C   LIG    1       -5.466  -0.128  -0.943  0.00  0.00    +0.073 A 
ATOM      6  C   LIG    1       -6.651   0.139  -0.271  0.00  0.00    +0.040 A 
ATOM      7  C   LIG    1       -6.678   0.657   1.033  0.00  0.00    +0.057 A 
ATOM      8  C   LIG    1       -5.465   0.895   1.681  0.00  0.00    +0.013 A 
ATOM      9  N   LIG    1       -5.553  -0.631  -2.183  0.00  0.00    -0.255 NA
ATOM     10  C   LIG    1       -4.408  -0.905  -2.838  0.00  0.00    +0.113 A 
ATOM     11  C   LIG    1       -4.260   0.637   1.025  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1       -3.153  -0.696  -2.308  0.00  0.00    +0.043 A 
BRANCH   7  13
ATOM     13  C   LIG    1       -7.993   0.906   1.725  0.00  0.00    +0.417 C 
ATOM     14  F   LIG    1       -8.479  -0.213   2.327  0.00  0.00    -0.166 F 
ATOM     15  F   LIG    1       -8.970   1.334   0.880  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1       -7.910   1.850   2.704  0.00  0.00    -0.166 F 
ENDBRANCH   7  13
ENDBRANCH   1   3
BRANCH   1  17
ATOM     17  C   LIG    1       -1.209  -1.235   0.058  0.00  0.00    +0.103 C 
BRANCH  17  18
ATOM     18  C   LIG    1        0.238  -1.027   0.510  0.00  0.00    +0.034 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.181  -0.802  -0.677  0.00  0.00    +0.083 C 
BRANCH  19  20
ATOM     20  N   LIG    1        2.590  -0.715  -0.286  0.00  0.00    -0.312 NA
ATOM     21  H   LIG    1        2.814  -1.446   0.388  0.00  0.00    +0.122 HD
BRANCH  20  22
ATOM     22  C   LIG    1        2.933   0.587   0.295  0.00  0.00    +0.119 C 
BRANCH  22  25
ATOM     23  C   LIG    1        6.740   0.492  -0.039  0.00  0.00    +0.121 A 
ATOM     24  C   LIG    1        5.380   0.395  -0.345  0.00  0.00    +0.053 A 
ATOM     25  C   LIG    1        4.402   0.667   0.629  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1        4.819   1.053   1.905  0.00  0.00    +0.128 A 
ATOM     27  F   LIG    1        3.914   1.333   2.854  0.00  0.00    -0.205 F 
ATOM     28  C   LIG    1        6.169   1.155   2.222  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1        7.128   0.873   1.249  0.00  0.00    +0.048 A 
BRANCH  23  31
ATOM     30  C   LIG    1        7.436  -0.173  -2.212  0.00  0.00    +0.277 C 
ATOM     31  O   LIG    1        7.777   0.247  -0.897  0.00  0.00    -0.495 OA
ENDBRANCH  23  31
ENDBRANCH  22  25
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 9