REMARK  Name = BDB053896
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.596  -1.494  -1.020  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -0.766  -0.794  -0.434  0.00  0.00    +0.224 C 
ATOM      3  N   LIG    1        0.449  -1.331   0.032  0.00  0.00    -0.294 N 
ENDROOT
BRANCH   2   4
ATOM      4  C   LIG    1       -1.048   0.703  -0.209  0.00  0.00    +0.125 C 
ATOM      5  C   LIG    1       -2.549   1.081  -0.215  0.00  0.00    +0.109 C 
ATOM      6  C   LIG    1       -3.381   0.299   0.762  0.00  0.00    -0.007 A 
ATOM      7  C   LIG    1       -4.417  -0.333   0.084  0.00  0.00    -0.013 A 
ATOM      8  C   LIG    1       -5.339  -1.128   0.749  0.00  0.00    +0.047 A 
ATOM      9  C   LIG    1       -5.195  -1.280   2.125  0.00  0.00    +0.159 A 
ATOM     10  C   LIG    1       -4.154  -0.648   2.810  0.00  0.00    +0.159 A 
ATOM     11  F   LIG    1       -4.032  -0.804   4.136  0.00  0.00    -0.202 F 
ATOM     12  F   LIG    1       -6.071  -2.042   2.794  0.00  0.00    -0.202 F 
ATOM     13  C   LIG    1       -4.329  -0.027  -1.365  0.00  0.00    +0.196 C 
ATOM     14  C   LIG    1       -3.233   0.150   2.135  0.00  0.00    +0.048 A 
ATOM     15  O   LIG    1       -3.154   0.799  -1.511  0.00  0.00    -0.363 OA
ATOM     16  C   LIG    1       -2.727   2.604   0.026  0.00  0.00    +0.056 C 
ATOM     17  C   LIG    1       -1.426   3.393  -0.138  0.00  0.00    +0.084 C 
ATOM     18  N   LIG    1       -0.688   2.958  -1.310  0.00  0.00    -0.315 NA
ATOM     19  H   LIG    1        0.135   3.539  -1.468  0.00  0.00    +0.122 HD
ATOM     20  C   LIG    1       -0.317   1.539  -1.272  0.00  0.00    +0.096 C 
ENDBRANCH   2   4
BRANCH   3  21
ATOM     21  C   LIG    1        0.734  -2.771  -0.012  0.00  0.00    +0.077 C 
ATOM     22  C   LIG    1        0.333  -3.681  -1.139  0.00  0.00    +0.024 C 
ATOM     23  C   LIG    1       -0.305  -3.834   0.216  0.00  0.00    +0.024 C 
ENDBRANCH   3  21
BRANCH   3  24
ATOM     24  C   LIG    1        1.542  -0.535   0.638  0.00  0.00    +0.145 C 
BRANCH  24  25
ATOM     25  C   LIG    1        2.747  -0.304  -0.260  0.00  0.00    -0.004 A 
ATOM     26  C   LIG    1        3.876   0.299   0.314  0.00  0.00    +0.076 A 
ATOM     27  C   LIG    1        5.004   0.536  -0.504  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        6.132   1.136   0.071  0.00  0.00    +0.011 A 
ATOM     29  C   LIG    1        6.122   1.485   1.415  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1        4.977   1.223   2.139  0.00  0.00    +0.111 A 
ATOM     31  C   LIG    1        4.990   0.182  -1.862  0.00  0.00    +0.010 A 
ATOM     32  C   LIG    1        3.861  -0.404  -2.421  0.00  0.00    +0.001 A 
ATOM     33  N   LIG    1        3.871   0.647   1.617  0.00  0.00    -0.255 NA
ATOM     34  C   LIG    1        2.744  -0.643  -1.627  0.00  0.00    +0.007 A 
ENDBRANCH  24  25
ENDBRANCH   3  24
TORSDOF 4