REMARK  Name = BDB049884
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.628  -1.270  -0.221  0.00  0.00    -0.299 N 
ATOM      2  C   LIG    1       -0.703  -0.793  -0.207  0.00  0.00    +0.038 A 
ATOM      3  C   LIG    1       -1.707  -1.421   0.550  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1       -3.011  -0.900   0.564  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -3.351   0.236  -0.186  0.00  0.00    -0.006 A 
ATOM      6  C   LIG    1       -2.363   0.876  -0.949  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1       -1.406  -2.648   1.369  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1       -0.147  -3.343   0.874  0.00  0.00    +0.024 C 
ATOM      9  C   LIG    1       -1.056   0.348  -0.949  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1        0.974  -2.321   0.755  0.00  0.00    +0.111 C 
ENDROOT
BRANCH   1  19
ATOM     11  C   LIG    1        4.682   0.279   0.222  0.00  0.00    +0.037 A 
ATOM     12  C   LIG    1        3.369  -0.188   0.104  0.00  0.00    +0.025 A 
ATOM     13  C   LIG    1        2.867  -0.679  -1.125  0.00  0.00    +0.022 A 
ATOM     14  C   LIG    1        3.714  -0.667  -2.257  0.00  0.00    +0.073 A 
ATOM     15  N   LIG    1        3.317  -1.074  -3.471  0.00  0.00    -0.255 NA
ATOM     16  C   LIG    1        2.047  -1.502  -3.614  0.00  0.00    +0.113 A 
ATOM     17  C   LIG    1        1.138  -1.564  -2.579  0.00  0.00    +0.044 A 
ATOM     18  C   LIG    1        5.019  -0.214  -2.115  0.00  0.00    +0.029 A 
ATOM     19  C   LIG    1        1.544  -1.163  -1.302  0.00  0.00    +0.045 A 
ATOM     20  C   LIG    1        5.516   0.250  -0.893  0.00  0.00    +0.015 A 
BRANCH  11  24
ATOM     21  C   LIG    1        6.566   2.349   2.762  0.00  0.00    +0.128 C 
ATOM     22  N   LIG    1        6.135   1.728   1.534  0.00  0.00    -0.314 N 
ATOM     23  H   LIG    1        6.315   2.222   0.671  0.00  0.00    +0.149 HD
ATOM     24  C   LIG    1        5.149   0.762   1.549  0.00  0.00    +0.244 C 
ATOM     25  O   LIG    1        4.641   0.324   2.575  0.00  0.00    -0.270 OA
ENDBRANCH  11  24
ENDBRANCH   1  19
BRANCH   5  26
ATOM     26  C   LIG    1       -4.718   0.713  -0.139  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -5.355   1.128   1.011  0.00  0.00    +0.116 A 
ATOM     28  N   LIG    1       -6.613   1.498   0.633  0.00  0.00    -0.274 N 
ATOM     29  C   LIG    1       -7.663   2.005   1.482  0.00  0.00    +0.172 C 
ATOM     30  N   LIG    1       -6.839   1.356  -0.686  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1       -5.687   0.868  -1.153  0.00  0.00    +0.142 A 
ENDBRANCH   5  26
BRANCH   6  32
ATOM     32  C   LIG    1       -2.655   2.107  -1.769  0.00  0.00    +0.372 C 
ATOM     33  F   LIG    1       -3.348   1.817  -2.906  0.00  0.00    -0.204 F 
ATOM     34  F   LIG    1       -1.529   2.756  -2.189  0.00  0.00    -0.204 F 
ENDBRANCH   6  32
TORSDOF 4