REMARK  Name = BDB052902
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.888   3.643   0.965  0.00  0.00    +0.061 C 
ATOM      2  C   LIG    1       -1.759   2.661   0.211  0.00  0.00    +0.031 C 
ATOM      3  C   LIG    1       -1.255   1.202   0.081  0.00  0.00    +0.132 C 
ATOM      4  C   LIG    1       -2.014   0.336  -0.968  0.00  0.00    +0.078 C 
ATOM      5  C   LIG    1       -3.357   0.908  -1.227  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1       -3.669   2.185  -0.845  0.00  0.00    +0.152 A 
ATOM      7  N   LIG    1       -4.950   2.401  -1.264  0.00  0.00    -0.260 N 
ATOM      8  H   LIG    1       -5.497   3.247  -1.157  0.00  0.00    +0.191 HD
ATOM      9  N   LIG    1       -5.496   1.333  -1.883  0.00  0.00    -0.180 NA
ATOM     10  C   LIG    1       -4.511   0.428  -1.874  0.00  0.00    +0.140 A 
ATOM     11  N   LIG    1       -2.916   3.099  -0.205  0.00  0.00    -0.237 NA
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1       -2.100  -1.110  -0.506  0.00  0.00    -0.002 A 
ATOM     13  S   LIG    1       -1.239  -2.333  -1.351  0.00  0.00    -0.101 S 
ATOM     14  C   LIG    1       -1.793  -3.551  -0.290  0.00  0.00    +0.045 A 
ATOM     15  C   LIG    1       -2.624  -3.049   0.685  0.00  0.00    +0.008 A 
ATOM     16  C   LIG    1       -2.804  -1.642   0.560  0.00  0.00    +0.012 A 
ENDBRANCH   4  12
BRANCH   3  17
ATOM     17  C   LIG    1        0.231   1.123  -0.245  0.00  0.00    +0.227 C 
ATOM     18  N   LIG    1        0.852   0.019   0.317  0.00  0.00    -0.285 N 
ATOM     19  H   LIG    1        0.262  -0.648   0.803  0.00  0.00    +0.155 HD
ATOM     20  O   LIG    1        0.769   1.966  -0.956  0.00  0.00    -0.275 OA
BRANCH  18  21
ATOM     21  C   LIG    1        2.210  -0.349   0.213  0.00  0.00    +0.033 A 
ATOM     22  C   LIG    1        3.186   0.423  -0.418  0.00  0.00    +0.024 A 
ATOM     23  C   LIG    1        4.514  -0.017  -0.474  0.00  0.00    +0.014 A 
ATOM     24  C   LIG    1        4.891  -1.240   0.096  0.00  0.00    +0.055 A 
ATOM     25  C   LIG    1        3.911  -2.009   0.739  0.00  0.00    +0.014 A 
ATOM     26  C   LIG    1        2.585  -1.567   0.794  0.00  0.00    +0.024 A 
BRANCH  24  27
ATOM     27  C   LIG    1        6.327  -1.702   0.054  0.00  0.00    +0.417 C 
ATOM     28  F   LIG    1        7.032  -1.295   1.145  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1        7.010  -1.238  -1.029  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1        6.448  -3.059   0.017  0.00  0.00    -0.166 F 
ENDBRANCH  24  27
ENDBRANCH  18  21
ENDBRANCH   3  17
TORSDOF 4