REMARK  Name = BDB049062
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.334   0.102   0.163  0.00  0.00    -0.041 A 
ATOM      2  C   LIG    1        0.450  -1.050   0.212  0.00  0.00    +0.006 A 
ATOM      3  C   LIG    1        1.846  -0.982   0.092  0.00  0.00    +0.023 A 
ATOM      4  C   LIG    1        2.525   0.233  -0.074  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1        1.731   1.381  -0.118  0.00  0.00    +0.023 A 
ATOM      6  C   LIG    1        0.335   1.323   0.012  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1        3.906   0.270  -0.203  0.00  0.00    -0.327 N 
ATOM      8  C   LIG    1        4.598   1.467  -0.714  0.00  0.00    +0.124 C 
ATOM      9  C   LIG    1        6.043   1.131  -1.153  0.00  0.00    +0.124 C 
ATOM     10  N   LIG    1        6.846   0.506  -0.065  0.00  0.00    -0.327 N 
ATOM     11  C   LIG    1        6.045  -0.003   1.068  0.00  0.00    +0.124 C 
ATOM     12  C   LIG    1        4.728  -0.662   0.600  0.00  0.00    +0.124 C 
BRANCH  10  13
ATOM     13  C   LIG    1        7.994  -0.167  -0.498  0.00  0.00    +0.033 A 
ATOM     14  C   LIG    1        8.319  -1.471  -0.113  0.00  0.00    +0.043 A 
ATOM     15  C   LIG    1        9.489  -2.058  -0.585  0.00  0.00    +0.112 A 
ATOM     16  N   LIG    1       10.364  -1.447  -1.405  0.00  0.00    -0.263 NA
ATOM     17  C   LIG    1       10.049  -0.190  -1.770  0.00  0.00    +0.112 A 
ATOM     18  C   LIG    1        8.902   0.472  -1.352  0.00  0.00    +0.043 A 
ENDBRANCH  10  13
ENDBRANCH   4   7
BRANCH   1  22
ATOM     19  N   LIG    1       -3.990   0.480  -0.732  0.00  0.00    -0.296 NA
ATOM     20  C   LIG    1       -4.030  -0.884  -0.156  0.00  0.00    +0.104 C 
ATOM     21  C   LIG    1       -2.587  -1.274   0.262  0.00  0.00    +0.079 C 
ATOM     22  C   LIG    1       -1.846   0.086   0.306  0.00  0.00    +0.051 C 
ATOM     23  C   LIG    1       -2.558   0.812  -0.847  0.00  0.00    +0.094 C 
BRANCH  21  24
ATOM     24  N   LIG    1       -2.440  -2.162   1.439  0.00  0.00    -0.304 NA
ATOM     25  C   LIG    1       -3.128  -3.440   1.237  0.00  0.00    +0.104 C 
ATOM     26  C   LIG    1       -2.849  -1.560   2.707  0.00  0.00    +0.104 C 
ENDBRANCH  21  24
BRANCH  19  27
ATOM     27  C   LIG    1       -4.688   1.450   0.135  0.00  0.00    +0.122 C 
BRANCH  27  30
ATOM     28  C   LIG    1       -6.296   2.029  -2.367  0.00  0.00    +0.044 C 
ATOM     29  C   LIG    1       -6.949   1.607  -1.079  0.00  0.00    -0.043 A 
ATOM     30  C   LIG    1       -6.197   1.320   0.082  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1       -6.881   0.909   1.235  0.00  0.00    +0.128 A 
ATOM     32  F   LIG    1       -6.196   0.630   2.355  0.00  0.00    -0.205 F 
ATOM     33  C   LIG    1       -8.264   0.769   1.258  0.00  0.00    +0.039 A 
ATOM     34  C   LIG    1       -9.002   1.045   0.114  0.00  0.00    +0.003 A 
ATOM     35  C   LIG    1       -8.348   1.457  -1.048  0.00  0.00    +0.004 A 
ENDBRANCH  27  30
ENDBRANCH  19  27
ENDBRANCH   1  22
TORSDOF 6