REMARK  Name = BDB041281
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.884  -0.116  -0.610  0.00  0.00    +0.087 C 
ATOM      2  C   LIG    1        0.776   1.085  -1.566  0.00  0.00    +0.029 C 
ENDROOT
BRANCH   1  12
ATOM      3  C   LIG    1        7.212  -1.090   0.520  0.00  0.00    +0.106 A 
ATOM      4  C   LIG    1        6.886  -1.662  -0.862  0.00  0.00    +0.271 A 
ATOM      5  O   LIG    1        7.750  -2.189  -1.545  0.00  0.00    -0.266 OA
ATOM      6  N   LIG    1        5.580  -1.535  -1.260  0.00  0.00    -0.317 N 
ATOM      7  H   LIG    1        5.318  -1.904  -2.165  0.00  0.00    +0.169 HD
ATOM      8  C   LIG    1        4.620  -0.928  -0.442  0.00  0.00    +0.104 A 
ATOM      9  C   LIG    1        5.003  -0.432   0.807  0.00  0.00    +0.090 A 
ATOM     10  C   LIG    1        4.035   0.172   1.610  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1        2.706   0.280   1.178  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1        2.311  -0.220  -0.073  0.00  0.00    +0.007 A 
ATOM     13  C   LIG    1        3.296  -0.819  -0.872  0.00  0.00    +0.153 A 
ATOM     14  F   LIG    1        2.969  -1.293  -2.086  0.00  0.00    -0.203 F 
ATOM     15  N   LIG    1        6.324  -0.515   1.280  0.00  0.00    -0.245 NA
BRANCH   3  17
ATOM     16  C   LIG    1        9.474  -0.060   0.397  0.00  0.00    +0.010 C 
ATOM     17  C   LIG    1        8.646  -1.188   0.983  0.00  0.00    +0.057 C 
ENDBRANCH   3  17
ENDBRANCH   1  12
BRANCH   1  18
ATOM     18  N   LIG    1       -0.133  -0.253   0.457  0.00  0.00    -0.289 NA
ATOM     19  C   LIG    1       -0.580   1.002   1.083  0.00  0.00    +0.131 C 
ATOM     20  C   LIG    1       -1.915   0.937   0.311  0.00  0.00    +0.202 C 
ATOM     21  C   LIG    1       -1.484  -0.494  -0.080  0.00  0.00    +0.131 C 
BRANCH  20  22
ATOM     22  O   LIG    1       -3.104   1.082   1.123  0.00  0.00    -0.482 OA
BRANCH  22  23
ATOM     23  C   LIG    1       -4.323   0.788   0.567  0.00  0.00    +0.175 A 
ATOM     24  C   LIG    1       -5.374   0.490   1.437  0.00  0.00    +0.256 A 
ATOM     25  F   LIG    1       -5.139   0.485   2.759  0.00  0.00    -0.180 F 
ATOM     26  N   LIG    1       -6.633   0.189   1.048  0.00  0.00    -0.211 NA
ATOM     27  C   LIG    1       -6.854   0.194  -0.292  0.00  0.00    +0.129 A 
ATOM     28  C   LIG    1       -5.878   0.489  -1.239  0.00  0.00    +0.037 A 
ATOM     29  C   LIG    1       -4.591   0.793  -0.799  0.00  0.00    +0.052 A 
BRANCH  27  30
ATOM     30  C   LIG    1       -8.247  -0.134  -0.736  0.00  0.00    +0.262 C 
ATOM     31  N   LIG    1       -9.112  -0.445   0.291  0.00  0.00    -0.313 N 
ATOM     32  H   LIG    1       -8.747  -0.341   1.236  0.00  0.00    +0.149 HD
ATOM     33  C   LIG    1      -10.514  -0.683   0.081  0.00  0.00    +0.128 C 
ATOM     34  O   LIG    1       -8.558  -0.109  -1.921  0.00  0.00    -0.269 OA
ENDBRANCH  27  30
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   1  18
TORSDOF 6