REMARK  Name = BDB053412
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.658  -1.468   1.189  0.00  0.00    +0.121 C 
ATOM      2  C   LIG    1        0.306  -0.907   0.177  0.00  0.00    -0.021 A 
ATOM      3  C   LIG    1        1.296  -0.139   0.794  0.00  0.00    -0.042 A 
ATOM      4  C   LIG    1        2.283   0.490   0.049  0.00  0.00    +0.012 A 
ATOM      5  C   LIG    1        2.296   0.327  -1.347  0.00  0.00    -0.017 A 
ATOM      6  C   LIG    1        1.288  -0.451  -1.958  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1        1.089  -0.054   2.273  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1        0.291  -1.072  -1.200  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1        0.042  -1.150   2.531  0.00  0.00    +0.034 C 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1       -3.094  -1.669   0.533  0.00  0.00    +0.112 A 
ATOM     11  N   LIG    1       -2.007  -0.960   1.022  0.00  0.00    -0.305 N 
ATOM     12  C   LIG    1       -2.450   0.305   1.321  0.00  0.00    +0.161 A 
ATOM     13  C   LIG    1       -3.797   0.307   0.990  0.00  0.00    +0.111 A 
ATOM     14  C   LIG    1       -4.535   1.486   1.184  0.00  0.00    -0.020 A 
ATOM     15  C   LIG    1       -3.820   2.576   1.708  0.00  0.00    +0.028 A 
ATOM     16  C   LIG    1       -2.459   2.456   2.005  0.00  0.00    +0.041 A 
ATOM     17  C   LIG    1       -1.725   3.643   2.561  0.00  0.00    +0.065 C 
ATOM     18  C   LIG    1       -5.992   1.615   0.870  0.00  0.00    +0.046 C 
ATOM     19  N   LIG    1       -1.734   1.326   1.828  0.00  0.00    -0.233 NA
ATOM     20  N   LIG    1       -4.179  -0.918   0.509  0.00  0.00    -0.230 NA
BRANCH  10  22
ATOM     21  C   LIG    1       -3.281  -4.053   1.242  0.00  0.00    +0.012 C 
ATOM     22  C   LIG    1       -3.059  -3.095   0.083  0.00  0.00    +0.071 C 
ENDBRANCH  10  22
ENDBRANCH   1  11
BRANCH   5  23
ATOM     23  C   LIG    1        3.349   0.954  -2.160  0.00  0.00    -0.007 A 
ATOM     24  C   LIG    1        4.409   0.231  -2.762  0.00  0.00    +0.028 A 
ATOM     25  C   LIG    1        5.334   0.931  -3.563  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1        5.238   2.310  -3.754  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        4.209   3.020  -3.152  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        3.273   2.348  -2.366  0.00  0.00    +0.009 A 
BRANCH  24  29
ATOM     29  C   LIG    1        4.621  -1.215  -2.612  0.00  0.00    +0.180 A 
ATOM     30  N   LIG    1        4.191  -1.999  -1.574  0.00  0.00    -0.239 N 
ATOM     31  H   LIG    1        3.655  -1.752  -0.753  0.00  0.00    +0.192 HD
ATOM     32  N   LIG    1        4.581  -3.269  -1.746  0.00  0.00    -0.046 NA
ATOM     33  N   LIG    1        5.263  -3.265  -2.880  0.00  0.00    -0.023 NA
ATOM     34  N   LIG    1        5.304  -2.006  -3.423  0.00  0.00    -0.108 NA
ENDBRANCH  24  29
ENDBRANCH   5  23
TORSDOF 4