REMARK  Name = BDB008368
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.106  -0.918  -0.223  0.00  0.00    -0.041 A 
ATOM      2  C   LIG    1        1.111  -0.030   0.212  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1        0.060   0.321  -0.645  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1        0.021  -0.180  -1.943  0.00  0.00    +0.135 A 
ATOM      5  F   LIG    1       -0.960   0.173  -2.786  0.00  0.00    -0.205 F 
ATOM      6  C   LIG    1        0.996  -1.069  -2.383  0.00  0.00    +0.039 A 
ATOM      7  C   LIG    1        2.033  -1.441  -1.524  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1       -0.931   1.302  -0.176  0.00  0.00    +0.250 C 
ATOM      9  N   LIG    1       -2.279   0.955  -0.091  0.00  0.00    -0.288 N 
ATOM     10  C   LIG    1       -2.849  -0.336  -0.506  0.00  0.00    +0.133 C 
ATOM     11  C   LIG    1       -3.974  -0.795   0.437  0.00  0.00    +0.105 C 
ATOM     12  C   LIG    1       -3.412  -1.241   1.788  0.00  0.00    +0.032 C 
ATOM     13  N   LIG    1       -4.926   0.289   0.598  0.00  0.00    -0.302 N 
ATOM     14  C   LIG    1       -4.583   1.609   0.476  0.00  0.00    +0.151 A 
ATOM     15  N   LIG    1       -5.659   2.340   0.668  0.00  0.00    -0.132 NA
ATOM     16  N   LIG    1       -6.717   1.491   0.891  0.00  0.00    -0.125 NA
ATOM     17  C   LIG    1       -6.275   0.247   0.830  0.00  0.00    +0.238 A 
ATOM     18  C   LIG    1       -3.209   2.071   0.140  0.00  0.00    +0.184 C 
ATOM     19  O   LIG    1       -0.499   2.400   0.169  0.00  0.00    -0.270 OA
BRANCH  17  20
ATOM     20  C   LIG    1       -7.055  -1.006   0.966  0.00  0.00    +0.452 C 
ATOM     21  F   LIG    1       -6.599  -1.772   1.992  0.00  0.00    -0.163 F 
ATOM     22  F   LIG    1       -8.377  -0.805   1.182  0.00  0.00    -0.163 F 
ATOM     23  F   LIG    1       -6.950  -1.776  -0.152  0.00  0.00    -0.163 F 
ENDBRANCH  17  20
ENDBRANCH   3   8
BRANCH   1  24
ATOM     24  C   LIG    1        3.254  -1.291   0.686  0.00  0.00    +0.092 C 
BRANCH  24  32
ATOM     25  C   LIG    1        6.450   2.567  -0.068  0.00  0.00    +0.049 C 
ATOM     26  C   LIG    1        6.038   1.133  -0.140  0.00  0.00    +0.017 A 
ATOM     27  C   LIG    1        6.996   0.184  -0.764  0.00  0.00    +0.268 A 
ATOM     28  O   LIG    1        8.082   0.556  -1.195  0.00  0.00    -0.266 OA
ATOM     29  N   LIG    1        6.592  -1.126  -0.828  0.00  0.00    -0.243 N 
ATOM     30  H   LIG    1        7.236  -1.787  -1.250  0.00  0.00    +0.192 HD
ATOM     31  N   LIG    1        5.407  -1.628  -0.374  0.00  0.00    -0.176 NA
ATOM     32  C   LIG    1        4.589  -0.780   0.172  0.00  0.00    +0.066 A 
ATOM     33  C   LIG    1        4.869   0.668   0.319  0.00  0.00    +0.034 A 
ENDBRANCH  24  32
ENDBRANCH   1  24
TORSDOF 4