REMARK  Name = BDB064949
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.491   0.923  -0.814  0.00  0.00    -0.040 A 
ATOM      2  C   LIG    1        0.789   0.750  -0.239  0.00  0.00    +0.013 A 
ATOM      3  C   LIG    1        1.980   1.035  -0.932  0.00  0.00    -0.012 A 
ATOM      4  C   LIG    1        1.896   1.507  -2.244  0.00  0.00    +0.009 A 
ATOM      5  C   LIG    1        0.654   1.673  -2.850  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -0.515   1.379  -2.146  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        3.296   0.844  -0.290  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1        4.323   1.945  -0.254  0.00  0.00    +0.256 A 
ATOM      9  O   LIG    1        4.131   3.055  -0.738  0.00  0.00    -0.267 OA
ATOM     10  N   LIG    1        5.513   1.636   0.364  0.00  0.00    -0.328 N 
ATOM     11  H   LIG    1        6.194   2.388   0.387  0.00  0.00    +0.168 HD
ATOM     12  C   LIG    1        5.807   0.420   0.923  0.00  0.00    +0.098 A 
ATOM     13  C   LIG    1        4.912  -0.580   0.895  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1        3.622  -0.344   0.260  0.00  0.00    +0.027 A 
BRANCH  13  15
ATOM     15  C   LIG    1        5.168  -1.937   1.487  0.00  0.00    +0.419 C 
ATOM     16  F   LIG    1        6.397  -2.038   2.056  0.00  0.00    -0.166 F 
ATOM     17  F   LIG    1        5.089  -2.915   0.548  0.00  0.00    -0.166 F 
ATOM     18  F   LIG    1        4.262  -2.243   2.450  0.00  0.00    -0.166 F 
ENDBRANCH  13  15
ENDBRANCH   3   7
BRANCH   1  19
ATOM     19  C   LIG    1       -1.867   0.578   0.015  0.00  0.00    +0.005 C 
ATOM     20  C   LIG    1       -3.056   1.598  -0.199  0.00  0.00    +0.030 C 
ATOM     21  C   LIG    1       -2.515   2.398   1.010  0.00  0.00    +0.093 C 
ATOM     22  C   LIG    1       -1.882   1.079   1.515  0.00  0.00    +0.030 C 
BRANCH  21  23
ATOM     23  C   LIG    1       -3.506   3.003   1.871  0.00  0.00    +0.066 C 
ATOM     24  N   LIG    1       -4.284   3.523   2.558  0.00  0.00    -0.196 NA
ENDBRANCH  21  23
BRANCH  19  25
ATOM     25  C   LIG    1       -2.168  -0.914  -0.243  0.00  0.00    +0.088 C 
BRANCH  25  28
ATOM     26  C   LIG    1       -3.346  -3.671  -0.951  0.00  0.00    +0.151 C 
ATOM     27  N   LIG    1       -3.902  -2.738  -0.008  0.00  0.00    -0.320 N 
ATOM     28  C   LIG    1       -3.410  -1.503   0.335  0.00  0.00    +0.134 A 
ATOM     29  N   LIG    1       -4.209  -0.984   1.244  0.00  0.00    -0.135 NA
ATOM     30  N   LIG    1       -5.228  -1.871   1.487  0.00  0.00    -0.138 NA
ATOM     31  C   LIG    1       -5.030  -2.921   0.728  0.00  0.00    +0.224 A 
ENDBRANCH  25  28
ENDBRANCH  19  25
ENDBRANCH   1  19
TORSDOF 6