REMARK  Name = BDB064928
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.194  -0.723  -2.145  0.00  0.00    -0.033 A 
ATOM      2  C   LIG    1        0.272  -0.721  -1.079  0.00  0.00    +0.028 A 
ATOM      3  C   LIG    1       -0.915   0.030  -1.146  0.00  0.00    +0.034 A 
ATOM      4  C   LIG    1       -1.168   0.809  -2.278  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1       -0.240   0.848  -3.326  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        0.928   0.084  -3.265  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1       -1.786  -0.038  -0.045  0.00  0.00    -0.280 N 
ATOM      8  H   LIG    1       -1.439  -0.484   0.806  0.00  0.00    +0.155 HD
ATOM      9  C   LIG    1       -3.128   0.320  -0.021  0.00  0.00    +0.267 C 
ATOM     10  O   LIG    1       -3.807   0.738  -0.950  0.00  0.00    -0.268 OA
BRANCH   9  11
ATOM     11  C   LIG    1       -3.761   0.071   1.307  0.00  0.00    +0.126 A 
ATOM     12  N   LIG    1       -2.972   0.343   2.398  0.00  0.00    -0.238 NA
ATOM     13  C   LIG    1       -3.523   0.145   3.628  0.00  0.00    +0.144 A 
ATOM     14  C   LIG    1       -4.775  -0.469   3.777  0.00  0.00    +0.032 A 
ATOM     15  C   LIG    1       -5.530  -0.784   2.639  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -5.037  -0.475   1.378  0.00  0.00    +0.033 A 
BRANCH  13  17
ATOM     17  C   LIG    1       -2.772   0.643   4.854  0.00  0.00    +0.434 C 
ATOM     18  F   LIG    1       -2.022  -0.321   5.470  0.00  0.00    -0.164 F 
ATOM     19  F   LIG    1       -3.602   1.134   5.824  0.00  0.00    -0.164 F 
ATOM     20  F   LIG    1       -1.911   1.666   4.578  0.00  0.00    -0.164 F 
ENDBRANCH  13  17
ENDBRANCH   9  11
ENDBRANCH   3   7
BRANCH   1  22
ATOM     21  C   LIG    1        2.067  -3.080  -2.040  0.00  0.00    +0.024 C 
ATOM     22  C   LIG    1        2.439  -1.591  -2.117  0.00  0.00    +0.081 C 
BRANCH  22  23
ATOM     23  S   LIG    1        3.526  -1.158  -0.698  0.00  0.00    -0.078 S 
BRANCH  23  24
ATOM     24  C   LIG    1        4.324   0.228  -1.355  0.00  0.00    +0.192 A 
ATOM     25  N   LIG    1        4.608   1.357  -0.638  0.00  0.00    -0.312 N 
ATOM     26  C   LIG    1        4.315   1.640   0.745  0.00  0.00    +0.152 C 
ATOM     27  C   LIG    1        5.184   2.218  -1.529  0.00  0.00    +0.225 A 
ATOM     28  N   LIG    1        5.314   1.627  -2.697  0.00  0.00    -0.137 NA
ATOM     29  N   LIG    1        4.770   0.361  -2.587  0.00  0.00    -0.123 NA
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   1  22
TORSDOF 6