REMARK  Name = BDB045482
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.772  -0.149  -0.027  0.00  0.00    +0.008 C 
ATOM      2  C   LIG    1       -0.515   0.013   0.089  0.00  0.00    +0.108 C 
ATOM      3  C   LIG    1       -1.429  -0.994  -0.459  0.00  0.00    +0.260 C 
ATOM      4  O   LIG    1       -1.023  -2.003  -1.034  0.00  0.00    -0.269 OA
ATOM      5  N   LIG    1       -2.789  -0.750  -0.296  0.00  0.00    -0.210 N 
ATOM      6  C   LIG    1       -3.287   0.380   0.349  0.00  0.00    +0.319 C 
ATOM      7  O   LIG    1       -4.510   0.543   0.466  0.00  0.00    -0.251 OA
ATOM      8  N   LIG    1       -2.405   1.328   0.865  0.00  0.00    -0.210 N 
ATOM      9  C   LIG    1       -1.023   1.208   0.771  0.00  0.00    +0.260 C 
ATOM     10  O   LIG    1       -0.268   2.062   1.236  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1  15
ATOM     11  C   LIG    1        4.949  -0.630  -0.380  0.00  0.00    +0.168 A 
ATOM     12  C   LIG    1        4.113  -1.643  -0.933  0.00  0.00    +0.221 A 
ATOM     13  O   LIG    1        4.553  -2.685  -1.528  0.00  0.00    -0.284 OA
ATOM     14  C   LIG    1        2.725  -1.424  -0.783  0.00  0.00    +0.063 A 
ATOM     15  C   LIG    1        2.188  -0.302  -0.141  0.00  0.00    -0.013 A 
ATOM     16  C   LIG    1        3.033   0.665   0.386  0.00  0.00    +0.012 A 
ATOM     17  C   LIG    1        4.411   0.503   0.268  0.00  0.00    +0.050 A 
BRANCH  11  19
ATOM     18  C   LIG    1        7.201   0.117  -0.004  0.00  0.00    +0.253 C 
ATOM     19  O   LIG    1        6.312  -0.854  -0.532  0.00  0.00    -0.469 OA
ENDBRANCH  11  19
ENDBRANCH   1  15
BRANCH   5  20
ATOM     20  C   LIG    1       -3.681  -1.675  -0.798  0.00  0.00    +0.103 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.592  -2.626  -1.315  0.00  0.00    +0.020 C 
ATOM     22  C   LIG    1       -5.202  -3.673  -0.368  0.00  0.00    +0.002 C 
ATOM     23  C   LIG    1       -5.247  -2.372  -2.682  0.00  0.00    +0.002 C 
ENDBRANCH  20  21
ENDBRANCH   5  20
BRANCH   8  24
ATOM     24  C   LIG    1       -2.923   2.438   1.500  0.00  0.00    +0.103 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.451   3.576   2.150  0.00  0.00    +0.020 C 
ATOM     26  C   LIG    1       -3.805   3.505   3.642  0.00  0.00    +0.002 C 
ATOM     27  C   LIG    1       -3.850   4.808   1.325  0.00  0.00    +0.002 C 
ENDBRANCH  24  25
ENDBRANCH   8  24
TORSDOF 6