REMARK  Name = BDB054894
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.623  -0.880   0.384  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -0.723  -0.699  -0.677  0.00  0.00    +0.028 A 
ATOM      3  C   LIG    1        0.520  -1.353  -0.694  0.00  0.00    -0.029 A 
ATOM      4  C   LIG    1        0.861  -2.186   0.377  0.00  0.00    +0.005 A 
ATOM      5  C   LIG    1       -0.026  -2.368   1.436  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -1.264  -1.718   1.439  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -3.911  -0.252   1.187  0.00  0.00    +0.249 C 
ATOM      8  N   LIG    1       -2.851  -0.189   0.306  0.00  0.00    -0.281 N 
ATOM      9  H   LIG    1       -2.980   0.380  -0.525  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1       -3.974  -0.917   2.214  0.00  0.00    -0.270 OA
BRANCH   7  18
ATOM     11  C   LIG    1       -5.338   0.125  -1.736  0.00  0.00    +0.134 A 
ATOM     12  C   LIG    1       -5.614   0.742  -0.450  0.00  0.00    +0.042 A 
ATOM     13  C   LIG    1       -6.685   1.635  -0.604  0.00  0.00    +0.042 A 
ATOM     14  C   LIG    1       -7.233   2.370   0.463  0.00  0.00    +0.017 A 
ATOM     15  C   LIG    1       -6.696   2.202   1.736  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1       -5.628   1.338   1.934  0.00  0.00    +0.014 A 
ATOM     17  S   LIG    1       -7.160   1.647  -2.254  0.00  0.00    +0.014 S 
ATOM     18  C   LIG    1       -5.067   0.620   0.859  0.00  0.00    +0.049 A 
ATOM     19  N   LIG    1       -6.062   0.536  -2.767  0.00  0.00    -0.195 NA
BRANCH  11  20
ATOM     20  N   LIG    1       -4.390  -0.820  -1.921  0.00  0.00    -0.342 N 
ATOM     21  H   LIG    1       -4.180  -1.468  -1.163  0.00  0.00    +0.144 HD
ATOM     22  H   LIG    1       -4.466  -1.319  -2.805  0.00  0.00    +0.144 HD
ENDBRANCH  11  20
ENDBRANCH   7  18
ENDBRANCH   1   8
BRANCH   3  23
ATOM     23  C   LIG    1        1.491  -1.135  -1.827  0.00  0.00    +0.141 C 
BRANCH  23  24
ATOM     24  N   LIG    1        2.499  -0.160  -1.466  0.00  0.00    -0.295 N 
ATOM     25  H   LIG    1        2.147   0.700  -1.073  0.00  0.00    +0.151 HD
ATOM     26  C   LIG    1        3.737  -0.565  -1.009  0.00  0.00    +0.304 C 
ATOM     27  N   LIG    1        4.503   0.525  -0.655  0.00  0.00    -0.269 N 
ATOM     28  H   LIG    1        4.145   1.418  -0.958  0.00  0.00    +0.156 HD
ATOM     29  O   LIG    1        4.073  -1.740  -0.962  0.00  0.00    -0.252 OA
BRANCH  27  30
ATOM     30  C   LIG    1        5.789   0.523  -0.079  0.00  0.00    +0.037 A 
ATOM     31  C   LIG    1        6.428   1.759   0.066  0.00  0.00    +0.061 A 
ATOM     32  C   LIG    1        7.697   1.824   0.636  0.00  0.00    +0.125 A 
ATOM     33  F   LIG    1        8.297   3.015   0.766  0.00  0.00    -0.205 F 
ATOM     34  C   LIG    1        8.349   0.679   1.072  0.00  0.00    +0.038 A 
ATOM     35  C   LIG    1        7.718  -0.554   0.938  0.00  0.00    +0.005 A 
ATOM     36  C   LIG    1        6.442  -0.631   0.366  0.00  0.00    +0.023 A 
ENDBRANCH  27  30
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 6