REMARK  Name = BDB004490
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.120  -2.710   1.756  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -0.392  -1.934   0.974  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1       -0.078  -0.605   0.759  0.00  0.00    -0.257 N 
ATOM      4  C   LIG    1       -0.915   0.009  -0.256  0.00  0.00    +0.189 C 
ATOM      5  C   LIG    1       -1.806  -1.129  -0.676  0.00  0.00    +0.019 A 
ATOM      6  C   LIG    1       -2.807  -1.179  -1.635  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1       -3.483  -2.390  -1.823  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1       -3.154  -3.529  -1.066  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -2.140  -3.477  -0.108  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -1.489  -2.270   0.060  0.00  0.00    +0.045 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -1.686   1.225   0.245  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1       -1.642   2.452  -0.446  0.00  0.00    +0.011 A 
ATOM     13  C   LIG    1       -2.353   3.562   0.016  0.00  0.00    +0.039 A 
ATOM     14  C   LIG    1       -3.116   3.456   1.171  0.00  0.00    +0.123 A 
ATOM     15  F   LIG    1       -3.797   4.521   1.613  0.00  0.00    -0.205 F 
ATOM     16  C   LIG    1       -3.184   2.260   1.873  0.00  0.00    +0.039 A 
ATOM     17  C   LIG    1       -2.474   1.149   1.413  0.00  0.00    +0.011 A 
ENDBRANCH   4  11
BRANCH   4  18
ATOM     18  O   LIG    1       -0.083   0.323  -1.355  0.00  0.00    -0.364 OA
ATOM     19  H   LIG    1        0.636  -0.329  -1.304  0.00  0.00    +0.213 HD
ENDBRANCH   4  18
BRANCH   3  20
ATOM     20  C   LIG    1        0.954   0.102   1.495  0.00  0.00    +0.146 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.271   0.126   0.755  0.00  0.00    -0.030 A 
ATOM     22  C   LIG    1        3.071  -1.027   0.700  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1        4.283  -1.020   0.004  0.00  0.00    +0.033 A 
ATOM     24  C   LIG    1        4.697   0.149  -0.645  0.00  0.00    +0.126 A 
ATOM     25  C   LIG    1        3.907   1.305  -0.604  0.00  0.00    +0.033 A 
ATOM     26  C   LIG    1        2.697   1.288   0.095  0.00  0.00    +0.007 A 
BRANCH  24  27
ATOM     27  N   LIG    1        5.969   0.163  -1.379  0.00  0.00    +0.056 N 
ATOM     28  O   LIG    1        6.307   1.222  -1.927  0.00  0.00    -0.126 OA
ATOM     29  O   LIG    1        6.629  -0.885  -1.409  0.00  0.00    -0.126 OA
ENDBRANCH  24  27
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 5