REMARK  Name = BDB051973
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.123   1.035   0.618  0.00  0.00    +0.117 A 
ATOM      2  S   LIG    1        1.565   2.527  -0.111  0.00  0.00    -0.073 S 
ATOM      3  C   LIG    1        3.194   1.991  -0.227  0.00  0.00    +0.014 A 
ATOM      4  C   LIG    1        4.213   2.860  -0.878  0.00  0.00    +0.054 C 
ATOM      5  C   LIG    1        3.304   0.733   0.344  0.00  0.00    +0.081 A 
ATOM      6  N   LIG    1        2.115   0.190   0.806  0.00  0.00    -0.240 NA
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1        4.537  -0.034   0.446  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        4.539  -1.381   0.062  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1        5.705  -2.146   0.156  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        6.892  -1.578   0.641  0.00  0.00    +0.055 A 
ATOM     11  C   LIG    1        6.881  -0.236   1.050  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1        5.713   0.529   0.954  0.00  0.00    +0.010 A 
BRANCH  10  13
ATOM     13  C   LIG    1        8.146  -2.408   0.768  0.00  0.00    +0.417 C 
ATOM     14  F   LIG    1        8.220  -3.412  -0.150  0.00  0.00    -0.166 F 
ATOM     15  F   LIG    1        9.286  -1.678   0.609  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1        8.252  -3.006   1.986  0.00  0.00    -0.166 F 
ENDBRANCH  10  13
ENDBRANCH   5   7
BRANCH   1  17
ATOM     17  C   LIG    1       -0.299   0.780   1.023  0.00  0.00    +0.291 C 
BRANCH  17  18
ATOM     18  O   LIG    1       -1.063   0.627  -0.173  0.00  0.00    -0.485 OA
BRANCH  18  24
ATOM     19  C   LIG    1       -5.212  -0.022  -2.567  0.00  0.00    +0.047 C 
ATOM     20  C   LIG    1       -4.492   0.072  -1.250  0.00  0.00    -0.005 A 
ATOM     21  C   LIG    1       -5.180  -0.070  -0.034  0.00  0.00    +0.124 A 
ATOM     22  C   LIG    1       -4.474   0.022   1.168  0.00  0.00    +0.049 A 
ATOM     23  C   LIG    1       -3.092   0.255   1.170  0.00  0.00    +0.049 A 
ATOM     24  C   LIG    1       -2.403   0.399  -0.032  0.00  0.00    +0.122 A 
ATOM     25  C   LIG    1       -3.107   0.305  -1.234  0.00  0.00    +0.052 A 
BRANCH  21  26
ATOM     26  O   LIG    1       -6.528  -0.295  -0.138  0.00  0.00    -0.481 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -7.262  -0.444   1.081  0.00  0.00    +0.349 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -8.723  -0.680   0.738  0.00  0.00    +0.343 C 
ATOM     29  O   LIG    1       -9.603  -0.838   1.572  0.00  0.00    -0.247 OA
BRANCH  28  30
ATOM     30  O   LIG    1       -8.967  -0.700  -0.595  0.00  0.00    -0.478 OA
ATOM     31  H   LIG    1       -8.125  -0.553  -1.081  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  21  26
ENDBRANCH  18  24
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 9