REMARK  Name = BDB048636
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.651   0.634  -0.491  0.00  0.00    -0.010 A 
ATOM      2  C   LIG    1       -1.635  -0.044   0.244  0.00  0.00    +0.010 A 
ATOM      3  C   LIG    1       -2.958  -0.074  -0.201  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1       -3.308   0.581  -1.383  0.00  0.00    +0.128 A 
ATOM      5  C   LIG    1       -2.332   1.226  -2.142  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -1.009   1.256  -1.696  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        0.782   0.648  -0.017  0.00  0.00    +0.264 C 
BRANCH   7   8
ATOM      8  O   LIG    1        1.421  -0.524  -0.513  0.00  0.00    -0.487 OA
BRANCH   8  13
ATOM      9  N   LIG    1        6.711  -1.412   0.763  0.00  0.00    -0.336 N 
ATOM     10  C   LIG    1        5.392  -1.356   0.357  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1        4.862  -0.166   0.861  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1        3.514   0.159   0.593  0.00  0.00    +0.055 A 
ATOM     13  C   LIG    1        2.734  -0.712  -0.175  0.00  0.00    +0.122 A 
ATOM     14  C   LIG    1        3.292  -1.891  -0.669  0.00  0.00    +0.048 A 
ATOM     15  C   LIG    1        5.901   0.486   1.581  0.00  0.00    +0.028 A 
ATOM     16  C   LIG    1        4.624  -2.238  -0.417  0.00  0.00    +0.030 A 
ATOM     17  C   LIG    1        7.026  -0.301   1.502  0.00  0.00    +0.087 A 
BRANCH   9  18
ATOM     18  C   LIG    1        7.652  -2.473   0.433  0.00  0.00    +0.242 C 
BRANCH  18  20
ATOM     19  O   LIG    1        9.180  -3.135  -1.281  0.00  0.00    -0.249 OA
ATOM     20  C   LIG    1        8.319  -2.341  -0.915  0.00  0.00    +0.325 C 
BRANCH  20  21
ATOM     21  O   LIG    1        7.936  -1.325  -1.716  0.00  0.00    -0.479 OA
ATOM     22  H   LIG    1        7.233  -0.736  -1.376  0.00  0.00    +0.295 HD
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   9  18
ENDBRANCH   8  13
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  23
ATOM     23  O   LIG    1       -4.585   0.559  -1.896  0.00  0.00    -0.456 OA
BRANCH  23  24
ATOM     24  C   LIG    1       -5.617   0.845  -1.033  0.00  0.00    +0.128 A 
ATOM     25  C   LIG    1       -6.736   0.015  -1.086  0.00  0.00    +0.047 A 
ATOM     26  C   LIG    1       -7.834   0.270  -0.261  0.00  0.00    +0.016 A 
ATOM     27  C   LIG    1       -7.830   1.372   0.609  0.00  0.00    +0.055 A 
ATOM     28  C   LIG    1       -6.702   2.208   0.642  0.00  0.00    +0.016 A 
ATOM     29  C   LIG    1       -5.604   1.953  -0.183  0.00  0.00    +0.047 A 
BRANCH  27  30
ATOM     30  C   LIG    1       -9.007   1.636   1.517  0.00  0.00    +0.417 C 
ATOM     31  F   LIG    1       -8.874   1.023   2.726  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1       -9.187   2.959   1.787  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1      -10.190   1.198   1.003  0.00  0.00    -0.166 F 
ENDBRANCH  27  30
ENDBRANCH  23  24
ENDBRANCH   4  23
TORSDOF 9