REMARK  Name = BDB008953
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.650  -1.950  -1.352  0.00  0.00    +0.112 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -2.000  -1.794  -0.670  0.00  0.00    +0.071 A 
ATOM      3  C   LIG    1       -2.668  -0.454  -0.640  0.00  0.00    -0.016 A 
ATOM      4  C   LIG    1       -2.009   0.754  -1.248  0.00  0.00    +0.037 C 
ATOM      5  C   LIG    1       -2.681   2.075  -0.859  0.00  0.00    +0.005 C 
ATOM      6  C   LIG    1       -4.199   1.960  -0.914  0.00  0.00    +0.005 C 
ATOM      7  C   LIG    1       -4.697   0.862   0.027  0.00  0.00    +0.041 C 
ATOM      8  C   LIG    1       -3.874  -0.394  -0.049  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1       -4.464  -1.609   0.565  0.00  0.00    +0.268 A 
ATOM     10  O   LIG    1       -5.554  -1.589   1.127  0.00  0.00    -0.266 OA
ATOM     11  N   LIG    1       -3.718  -2.752   0.467  0.00  0.00    -0.243 N 
ATOM     12  H   LIG    1       -4.109  -3.594   0.876  0.00  0.00    +0.192 HD
ATOM     13  N   LIG    1       -2.508  -2.869  -0.141  0.00  0.00    -0.175 NA
ENDBRANCH   1   2
BRANCH   1  16
ATOM     14  C   LIG    1        2.230  -0.327   0.279  0.00  0.00    +0.126 A 
ATOM     15  N   LIG    1        1.212  -0.578  -0.583  0.00  0.00    -0.247 NA
ATOM     16  C   LIG    1        0.493  -1.710  -0.400  0.00  0.00    +0.048 A 
ATOM     17  C   LIG    1        0.777  -2.613   0.622  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1        1.827  -2.340   1.494  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1        2.569  -1.176   1.326  0.00  0.00    +0.033 A 
BRANCH  14  22
ATOM     20  N   LIG    1        4.345   0.908   0.311  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        4.781  -0.005   0.323  0.00  0.00    +0.149 HD
ATOM     22  C   LIG    1        2.980   0.952   0.052  0.00  0.00    +0.262 C 
ATOM     23  O   LIG    1        2.409   1.959  -0.354  0.00  0.00    -0.269 OA
BRANCH  20  25
ATOM     24  C   LIG    1        6.542   1.942   0.625  0.00  0.00    +0.024 C 
ATOM     25  C   LIG    1        5.180   2.040  -0.035  0.00  0.00    +0.101 C 
ENDBRANCH  20  25
ENDBRANCH  14  22
ENDBRANCH   1  16
TORSDOF 4