REMARK  Name = BDB041273
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.702   1.531  -0.453  0.00  0.00    +0.103 C 
ATOM      2  C   LIG    1       -0.643   3.043  -0.190  0.00  0.00    +0.031 C 
ENDROOT
BRANCH   1  12
ATOM      3  C   LIG    1       -6.925  -0.237   0.587  0.00  0.00    +0.017 A 
ATOM      4  C   LIG    1       -6.281   0.116   1.899  0.00  0.00    +0.252 A 
ATOM      5  O   LIG    1       -6.899   0.055   2.958  0.00  0.00    -0.268 OA
ATOM      6  N   LIG    1       -4.971   0.513   1.871  0.00  0.00    -0.322 N 
ATOM      7  H   LIG    1       -4.563   0.743   2.767  0.00  0.00    +0.169 HD
ATOM      8  C   LIG    1       -4.212   0.602   0.699  0.00  0.00    +0.052 A 
ATOM      9  C   LIG    1       -4.805   0.274  -0.516  0.00  0.00    +0.017 A 
ATOM     10  C   LIG    1       -4.017   0.375  -1.651  0.00  0.00    +0.121 A 
ATOM     11  N   LIG    1       -2.721   0.770  -1.640  0.00  0.00    -0.258 NA
ATOM     12  C   LIG    1       -2.165   1.083  -0.440  0.00  0.00    +0.060 A 
ATOM     13  C   LIG    1       -2.886   1.012   0.753  0.00  0.00    +0.051 A 
ATOM     14  C   LIG    1       -6.202  -0.154  -0.545  0.00  0.00    +0.020 A 
BRANCH   3  16
ATOM     15  C   LIG    1       -9.068  -1.033  -0.615  0.00  0.00    +0.009 C 
ATOM     16  C   LIG    1       -8.370  -0.664   0.690  0.00  0.00    +0.037 C 
ENDBRANCH   3  16
ENDBRANCH   1  12
BRANCH   1  17
ATOM     17  N   LIG    1        0.120   0.807   0.546  0.00  0.00    -0.287 NA
ATOM     18  C   LIG    1        0.277  -0.623   0.154  0.00  0.00    +0.131 C 
ATOM     19  C   LIG    1        1.765  -0.522   0.574  0.00  0.00    +0.201 C 
ATOM     20  C   LIG    1        1.572   0.989   0.279  0.00  0.00    +0.131 C 
BRANCH  19  21
ATOM     21  O   LIG    1        2.693  -1.251  -0.261  0.00  0.00    -0.485 OA
BRANCH  21  22
ATOM     22  C   LIG    1        4.036  -1.057  -0.080  0.00  0.00    +0.139 A 
ATOM     23  C   LIG    1        4.876  -1.603  -1.046  0.00  0.00    +0.157 A 
ATOM     24  N   LIG    1        6.228  -1.511  -1.030  0.00  0.00    -0.247 NA
ATOM     25  C   LIG    1        6.766  -0.834   0.023  0.00  0.00    +0.126 A 
ATOM     26  C   LIG    1        6.011  -0.263   1.040  0.00  0.00    +0.036 A 
ATOM     27  C   LIG    1        4.621  -0.380   0.985  0.00  0.00    +0.049 A 
BRANCH  25  28
ATOM     28  C   LIG    1        8.261  -0.729   0.052  0.00  0.00    +0.262 C 
ATOM     29  N   LIG    1        8.891  -1.310  -1.028  0.00  0.00    -0.313 N 
ATOM     30  H   LIG    1        8.290  -1.823  -1.669  0.00  0.00    +0.149 HD
ATOM     31  C   LIG    1       10.320  -1.426  -1.117  0.00  0.00    +0.128 C 
ATOM     32  O   LIG    1        8.846  -0.175   0.977  0.00  0.00    -0.269 OA
ENDBRANCH  25  28
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   1  17
TORSDOF 6