REMARK  Name = BDB048660
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.394   0.826  -0.396  0.00  0.00    -0.046 A 
ATOM      2  C   LIG    1       -1.408  -0.002   0.154  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -0.502   0.486   1.113  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -0.573   1.833   1.509  0.00  0.00    +0.125 A 
ATOM      5  C   LIG    1       -1.558   2.658   0.960  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -2.462   2.159   0.017  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   4   7
ATOM      7  O   LIG    1        0.363   2.239   2.424  0.00  0.00    -0.495 OA
ATOM      8  C   LIG    1        0.321   3.595   2.848  0.00  0.00    +0.277 C 
ENDBRANCH   4   7
BRANCH   1   9
ATOM      9  C   LIG    1       -3.387   0.276  -1.394  0.00  0.00    +0.049 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -4.508  -0.531  -0.719  0.00  0.00    +0.102 C 
BRANCH  10  12
ATOM     11  C   LIG    1       -6.248  -2.351  -1.129  0.00  0.00    +0.004 C 
ATOM     12  C   LIG    1       -5.249  -1.389  -1.761  0.00  0.00    +0.011 C 
ENDBRANCH  10  12
BRANCH  10  13
ATOM     13  C   LIG    1       -5.469   0.431  -0.038  0.00  0.00    +0.308 C 
ATOM     14  O   LIG    1       -6.429   0.955  -0.583  0.00  0.00    -0.251 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -5.155   0.685   1.253  0.00  0.00    -0.480 OA
ATOM     16  H   LIG    1       -4.313   0.283   1.544  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  10  13
ENDBRANCH   9  10
ENDBRANCH   1   9
BRANCH   3  17
ATOM     17  C   LIG    1        0.557  -0.444   1.653  0.00  0.00    +0.143 C 
BRANCH  17  18
ATOM     18  N   LIG    1        1.751  -0.391   0.841  0.00  0.00    -0.307 N 
ATOM     19  H   LIG    1        2.010   0.517   0.470  0.00  0.00    +0.149 HD
ATOM     20  C   LIG    1        2.686  -1.397   0.879  0.00  0.00    +0.247 C 
ATOM     21  O   LIG    1        2.499  -2.453   1.478  0.00  0.00    -0.270 OA
BRANCH  20  22
ATOM     22  C   LIG    1        3.969  -1.176   0.154  0.00  0.00    +0.072 A 
ATOM     23  C   LIG    1        4.290   0.023  -0.484  0.00  0.00    +0.136 A 
ATOM     24  F   LIG    1        3.444   1.064  -0.473  0.00  0.00    -0.205 F 
ATOM     25  C   LIG    1        5.505   0.182  -1.151  0.00  0.00    +0.051 A 
ATOM     26  C   LIG    1        6.439  -0.864  -1.188  0.00  0.00    +0.058 A 
ATOM     27  C   LIG    1        6.119  -2.074  -0.554  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1        4.898  -2.226   0.113  0.00  0.00    +0.016 A 
BRANCH  26  29
ATOM     29  C   LIG    1        7.743  -0.699  -1.930  0.00  0.00    +0.418 C 
ATOM     30  F   LIG    1        8.226   0.572  -1.873  0.00  0.00    -0.166 F 
ATOM     31  F   LIG    1        7.623  -0.997  -3.252  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1        8.736  -1.498  -1.452  0.00  0.00    -0.166 F 
ENDBRANCH  26  29
ENDBRANCH  20  22
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 10