REMARK  Name = BDB038368
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.153  -1.642   0.600  0.00  0.00    -0.015 A 
ATOM      2  C   LIG    1       -1.035  -0.983   0.049  0.00  0.00    +0.032 A 
ATOM      3  C   LIG    1        0.245  -1.087   0.614  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1        0.392  -1.896   1.750  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1       -0.702  -2.560   2.310  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -1.965  -2.433   1.739  0.00  0.00    +0.008 A 
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1        1.364  -0.403   0.063  0.00  0.00    -0.263 N 
ATOM      8  C   LIG    1        1.343   0.509  -0.997  0.00  0.00    +0.251 C 
ATOM      9  O   LIG    1        0.422   0.955  -1.655  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1        2.731   0.927  -1.229  0.00  0.00    +0.043 A 
ATOM     11  C   LIG    1        3.221   1.807  -2.179  0.00  0.00    +0.019 A 
ATOM     12  C   LIG    1        4.600   2.047  -2.200  0.00  0.00    -0.021 A 
ATOM     13  C   LIG    1        5.437   1.395  -1.261  0.00  0.00    +0.018 A 
ATOM     14  C   LIG    1        4.923   0.502  -0.301  0.00  0.00    +0.061 A 
ATOM     15  C   LIG    1        3.548   0.283  -0.308  0.00  0.00    -0.006 A 
ATOM     16  C   LIG    1        2.716  -0.591   0.574  0.00  0.00    +0.150 C 
BRANCH  14  17
ATOM     17  C   LIG    1        5.812  -0.190   0.697  0.00  0.00    +0.418 C 
ATOM     18  F   LIG    1        7.128   0.129   0.578  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1        5.465   0.104   1.981  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1        5.738  -1.545   0.596  0.00  0.00    -0.166 F 
ENDBRANCH  14  17
BRANCH  12  21
ATOM     21  C   LIG    1        5.200   2.993  -3.207  0.00  0.00    +0.191 C 
BRANCH  21  22
ATOM     22  O   LIG    1        5.782   4.104  -2.542  0.00  0.00    -0.390 OA
ATOM     23  H   LIG    1        5.183   4.356  -1.818  0.00  0.00    +0.210 HD
ENDBRANCH  21  22
ENDBRANCH  12  21
ENDBRANCH   3   7
BRANCH   1  25
ATOM     24  C   LIG    1       -4.595  -0.943   0.659  0.00  0.00    +0.027 A 
ATOM     25  C   LIG    1       -3.487  -1.506  -0.017  0.00  0.00    -0.007 A 
ATOM     26  C   LIG    1       -3.680  -1.982  -1.330  0.00  0.00    +0.009 A 
ATOM     27  C   LIG    1       -4.930  -1.920  -1.950  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -6.018  -1.388  -1.268  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -5.852  -0.906   0.030  0.00  0.00    +0.012 A 
BRANCH  24  32
ATOM     30  C   LIG    1       -3.025   1.620   1.550  0.00  0.00    +0.152 C 
ATOM     31  N   LIG    1       -3.788   0.727   2.379  0.00  0.00    -0.317 N 
ATOM     32  C   LIG    1       -4.500  -0.388   2.009  0.00  0.00    +0.164 A 
ATOM     33  N   LIG    1       -5.120  -0.851   3.080  0.00  0.00    -0.129 NA
ATOM     34  N   LIG    1       -4.781  -0.065   4.157  0.00  0.00    -0.138 NA
ATOM     35  C   LIG    1       -3.980   0.876   3.719  0.00  0.00    +0.225 A 
ENDBRANCH  24  32
ENDBRANCH   1  25
TORSDOF 6