REMARK  Name = BDB052336
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.229   0.183   0.257  0.00  0.00    +0.003 A 
ATOM      2  C   LIG    1       -0.679   0.676   1.446  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1        0.682   0.999   1.529  0.00  0.00    +0.024 A 
ATOM      4  C   LIG    1        1.515   0.837   0.422  0.00  0.00    +0.035 A 
ATOM      5  C   LIG    1        0.963   0.366  -0.775  0.00  0.00    +0.024 A 
ATOM      6  C   LIG    1       -0.396   0.041  -0.858  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1        2.890   1.150   0.420  0.00  0.00    -0.269 N 
ATOM      8  H   LIG    1        3.381   0.979  -0.444  0.00  0.00    +0.156 HD
ATOM      9  C   LIG    1        3.689   1.446   1.517  0.00  0.00    +0.308 C 
ATOM     10  N   LIG    1        4.950   1.841   1.089  0.00  0.00    -0.269 N 
ATOM     11  H   LIG    1        5.017   2.114   0.121  0.00  0.00    +0.156 HD
ATOM     12  O   LIG    1        3.334   1.368   2.685  0.00  0.00    -0.252 OA
BRANCH  10  13
ATOM     13  C   LIG    1        6.082   2.113   1.885  0.00  0.00    +0.035 A 
ATOM     14  C   LIG    1        6.159   1.835   3.251  0.00  0.00    +0.023 A 
ATOM     15  C   LIG    1        7.324   2.125   3.969  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1        8.423   2.689   3.326  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        8.360   2.962   1.962  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1        7.196   2.673   1.246  0.00  0.00    +0.023 A 
ENDBRANCH  10  13
ENDBRANCH   4   7
BRANCH   1  21
ATOM     19  N   LIG    1       -4.742   0.000   0.533  0.00  0.00    -0.271 N 
ATOM     20  N   LIG    1       -3.571   0.594   0.809  0.00  0.00    -0.171 NA
ATOM     21  C   LIG    1       -2.650  -0.166   0.191  0.00  0.00    +0.100 A 
ATOM     22  C   LIG    1       -3.272  -1.273  -0.467  0.00  0.00    +0.028 A 
ATOM     23  C   LIG    1       -4.620  -1.130  -0.215  0.00  0.00    +0.117 A 
BRANCH  22  24
ATOM     24  C   LIG    1       -2.715  -2.398  -1.183  0.00  0.00    -0.002 A 
ATOM     25  C   LIG    1       -3.092  -2.651  -2.517  0.00  0.00    +0.026 A 
ATOM     26  C   LIG    1       -2.498  -3.747  -3.135  0.00  0.00    +0.139 A 
ATOM     27  N   LIG    1       -2.982  -3.831  -4.411  0.00  0.00    -0.346 N 
ATOM     28  H   LIG    1       -2.706  -4.548  -5.066  0.00  0.00    +0.167 HD
ATOM     29  C   LIG    1       -3.867  -2.809  -4.642  0.00  0.00    +0.085 A 
ATOM     30  N   LIG    1       -1.597  -4.599  -2.611  0.00  0.00    -0.237 NA
ATOM     31  C   LIG    1       -1.272  -4.304  -1.332  0.00  0.00    +0.114 A 
ATOM     32  C   LIG    1       -3.953  -2.059  -3.487  0.00  0.00    +0.029 A 
ATOM     33  C   LIG    1       -1.780  -3.249  -0.589  0.00  0.00    +0.029 A 
ENDBRANCH  22  24
BRANCH  19  35
ATOM     34  C   LIG    1       -6.507   1.676   0.159  0.00  0.00    +0.029 C 
ATOM     35  C   LIG    1       -5.973   0.568   1.048  0.00  0.00    +0.140 C 
ENDBRANCH  19  35
ENDBRANCH   1  21
TORSDOF 5