REMARK  Name = BDB048871
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.298  -0.185   1.384  0.00  0.00    -0.007 C 
ATOM      2  C   LIG    1       -1.943  -0.116   2.829  0.00  0.00    +0.040 C 
ATOM      3  C   LIG    1       -0.417  -0.161   2.787  0.00  0.00    +0.028 C 
ATOM      4  C   LIG    1       -0.037  -0.883   1.475  0.00  0.00    +0.081 C 
ATOM      5  C   LIG    1       -1.253  -0.587   0.644  0.00  0.00    -0.001 C 
ENDROOT
BRANCH   1  14
ATOM      6  O   LIG    1       -6.737   1.044   2.181  0.00  0.00    -0.267 OA
ATOM      7  C   LIG    1       -5.887   0.753   1.347  0.00  0.00    +0.259 A 
ATOM      8  C   LIG    1       -6.183   0.704  -0.092  0.00  0.00    +0.065 A 
ATOM      9  C   LIG    1       -5.136   0.351  -0.946  0.00  0.00    +0.078 A 
ATOM     10  C   LIG    1       -5.386   0.296  -2.318  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1       -6.657   0.587  -2.823  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -7.693   0.937  -1.956  0.00  0.00    +0.001 A 
ATOM     13  N   LIG    1       -3.846   0.052  -0.477  0.00  0.00    -0.229 NA
ATOM     14  C   LIG    1       -3.623   0.113   0.797  0.00  0.00    +0.137 A 
ATOM     15  C   LIG    1       -7.459   0.997  -0.583  0.00  0.00    +0.015 A 
ATOM     16  N   LIG    1       -4.597   0.451   1.701  0.00  0.00    -0.307 N 
ATOM     17  H   LIG    1       -4.414   0.488   2.691  0.00  0.00    +0.170 HD
ENDBRANCH   1  14
BRANCH   4  18
ATOM     18  N   LIG    1        1.234  -0.402   0.914  0.00  0.00    -0.292 NA
ATOM     19  C   LIG    1        2.363  -0.639   1.834  0.00  0.00    +0.090 C 
ATOM     20  C   LIG    1        3.662   0.006   1.316  0.00  0.00    +0.051 C 
ATOM     21  C   LIG    1        3.904  -0.281  -0.142  0.00  0.00    -0.042 C 
ATOM     22  C   LIG    1        2.915  -0.782  -0.902  0.00  0.00    -0.008 C 
ATOM     23  C   LIG    1        1.524  -1.035  -0.388  0.00  0.00    +0.112 C 
BRANCH  21  24
ATOM     24  C   LIG    1        5.242  -0.029  -0.706  0.00  0.00    -0.022 A 
ATOM     25  C   LIG    1        5.389   0.787  -1.839  0.00  0.00    +0.011 A 
ATOM     26  C   LIG    1        6.654   1.037  -2.377  0.00  0.00    +0.039 A 
ATOM     27  C   LIG    1        7.774   0.471  -1.781  0.00  0.00    +0.123 A 
ATOM     28  F   LIG    1        8.987   0.709  -2.295  0.00  0.00    -0.205 F 
ATOM     29  C   LIG    1        7.653  -0.340  -0.659  0.00  0.00    +0.039 A 
ATOM     30  C   LIG    1        6.387  -0.589  -0.121  0.00  0.00    +0.011 A 
ENDBRANCH  21  24
ENDBRANCH   4  18
TORSDOF 3