REMARK  Name = BDB061798
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.785   1.892  -0.036  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1        0.780   3.142   0.572  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        0.047   4.149   0.078  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1        1.508   3.353   1.738  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1        2.255   2.309   2.291  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1        2.293   1.045   1.675  0.00  0.00    -0.027 A 
ATOM      7  C   LIG    1        1.540   0.844   0.507  0.00  0.00    +0.021 A 
ENDROOT
BRANCH   1  15
ATOM      8  C   LIG    1       -3.126  -0.058  -0.151  0.00  0.00    +0.093 C 
ATOM      9  N   LIG    1       -3.487  -0.831  -1.361  0.00  0.00    -0.295 N 
ATOM     10  C   LIG    1       -4.509  -1.774  -1.432  0.00  0.00    +0.219 C 
ATOM     11  O   LIG    1       -4.710  -2.467  -2.424  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -2.573  -0.756  -2.506  0.00  0.00    +0.127 C 
ATOM     13  C   LIG    1       -1.712   0.509  -2.536  0.00  0.00    +0.127 C 
ATOM     14  N   LIG    1       -1.027   0.772  -1.268  0.00  0.00    -0.294 N 
ATOM     15  C   LIG    1        0.023   1.685  -1.277  0.00  0.00    +0.249 C 
ATOM     16  O   LIG    1        0.377   2.302  -2.277  0.00  0.00    -0.270 OA
ATOM     17  C   LIG    1       -1.593   0.144  -0.066  0.00  0.00    +0.130 C 
BRANCH  10  18
ATOM     18  C   LIG    1       -5.374  -1.958  -0.232  0.00  0.00    +0.075 C 
ATOM     19  C   LIG    1       -6.594  -1.091  -0.021  0.00  0.00    +0.013 C 
ATOM     20  C   LIG    1       -6.769  -2.531  -0.387  0.00  0.00    +0.013 C 
ENDBRANCH  10  18
BRANCH   8  22
ATOM     21  C   LIG    1       -3.769   2.013   1.216  0.00  0.00    +0.006 C 
ATOM     22  C   LIG    1       -3.903   1.276  -0.109  0.00  0.00    +0.021 C 
ENDBRANCH   8  22
ENDBRANCH   1  15
BRANCH   6  23
ATOM     23  C   LIG    1        3.081  -0.080   2.320  0.00  0.00    +0.162 C 
BRANCH  23  24
ATOM     24  N   LIG    1        3.738  -0.981   1.373  0.00  0.00    -0.289 N 
ATOM     25  C   LIG    1        4.950  -0.605   0.716  0.00  0.00    +0.059 A 
ATOM     26  C   LIG    1        5.560  -1.501  -0.170  0.00  0.00    +0.063 A 
ATOM     27  C   LIG    1        6.749  -1.178  -0.838  0.00  0.00    +0.015 A 
ATOM     28  C   LIG    1        7.347   0.060  -0.626  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        6.755   0.967   0.248  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1        4.936  -2.812  -0.406  0.00  0.00    +0.262 A 
ATOM     31  O   LIG    1        5.427  -3.640  -1.162  0.00  0.00    -0.267 OA
ATOM     32  N   LIG    1        3.772  -3.050   0.270  0.00  0.00    -0.274 N 
ATOM     33  H   LIG    1        3.328  -3.941   0.103  0.00  0.00    +0.173 HD
ATOM     34  C   LIG    1        5.568   0.638   0.915  0.00  0.00    +0.027 A 
ATOM     35  C   LIG    1        3.133  -2.206   1.131  0.00  0.00    +0.330 A 
ATOM     36  O   LIG    1        2.066  -2.554   1.634  0.00  0.00    -0.246 OA
ENDBRANCH  23  24
ENDBRANCH   6  23
TORSDOF 5