REMARK  Name = BDB004987
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.528  -3.428   0.821  0.00  0.00    +0.033 C 
ATOM      2  C   LIG    1       -0.499  -2.843  -0.594  0.00  0.00    +0.099 C 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1        0.791  -2.180  -1.050  0.00  0.00    -0.026 A 
ATOM      4  C   LIG    1        1.656  -1.519  -0.163  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        2.830  -0.893  -0.608  0.00  0.00    +0.034 A 
ATOM      6  C   LIG    1        3.149  -0.940  -1.964  0.00  0.00    +0.023 A 
ATOM      7  C   LIG    1        2.303  -1.593  -2.863  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        1.134  -2.204  -2.412  0.00  0.00    +0.005 A 
BRANCH   5   9
ATOM      9  N   LIG    1        3.617  -0.243   0.365  0.00  0.00    -0.285 N 
ATOM     10  H   LIG    1        3.253  -0.275   1.310  0.00  0.00    +0.155 HD
ATOM     11  C   LIG    1        4.771   0.482   0.166  0.00  0.00    +0.226 C 
ATOM     12  O   LIG    1        5.351   0.686  -0.890  0.00  0.00    -0.275 OA
BRANCH  11  13
ATOM     13  C   LIG    1        5.368   1.036   1.402  0.00  0.00    +0.150 C 
ATOM     14  C   LIG    1        4.553   1.664   2.466  0.00  0.00    +0.261 C 
ATOM     15  F   LIG    1        3.179   1.663   2.397  0.00  0.00    -0.205 F 
ATOM     16  F   LIG    1        4.891   1.482   3.787  0.00  0.00    -0.205 F 
ATOM     17  C   LIG    1        5.359   2.547   1.600  0.00  0.00    +0.095 C 
ENDBRANCH  11  13
ENDBRANCH   5   9
ENDBRANCH   2   3
BRANCH   2  18
ATOM     18  N   LIG    1       -1.678  -2.021  -0.903  0.00  0.00    -0.322 N 
ATOM     19  H   LIG    1       -1.679  -1.787  -1.893  0.00  0.00    +0.148 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -1.962  -0.841  -0.191  0.00  0.00    +0.130 A 
ATOM     21  C   LIG    1       -3.120  -0.102  -0.526  0.00  0.00    +0.041 A 
ATOM     22  C   LIG    1       -3.344   1.089   0.194  0.00  0.00    +0.088 A 
ATOM     23  C   LIG    1       -4.486   1.850  -0.139  0.00  0.00    +0.063 A 
ATOM     24  C   LIG    1       -5.380   1.429  -1.143  0.00  0.00    +0.015 A 
ATOM     25  C   LIG    1       -5.161   0.249  -1.833  0.00  0.00    +0.002 A 
ATOM     26  N   LIG    1       -2.488   1.469   1.167  0.00  0.00    -0.235 NA
ATOM     27  C   LIG    1       -1.443   0.676   1.424  0.00  0.00    +0.223 A 
ATOM     28  C   LIG    1       -4.040  -0.510  -1.525  0.00  0.00    +0.013 A 
ATOM     29  N   LIG    1       -1.146  -0.461   0.799  0.00  0.00    -0.220 NA
BRANCH  23  30
ATOM     30  C   LIG    1       -4.839   3.139   0.536  0.00  0.00    +0.244 C 
ATOM     31  O   LIG    1       -5.868   3.747   0.260  0.00  0.00    -0.270 OA
ATOM     32  N   LIG    1       -3.986   3.638   1.474  0.00  0.00    -0.325 N 
ATOM     33  H   LIG    1       -3.161   3.116   1.756  0.00  0.00    +0.145 HD
ATOM     34  H   LIG    1       -4.239   4.483   1.966  0.00  0.00    +0.145 HD
ENDBRANCH  23  30
ENDBRANCH  18  20
ENDBRANCH   2  18
TORSDOF 6