REMARK  Name = BDB042680
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.326   1.748   0.049  0.00  0.00    +0.073 C 
ATOM      2  C   LIG    1        1.125   1.219   1.473  0.00  0.00    +0.037 C 
ATOM      3  C   LIG    1        0.694  -0.241   1.556  0.00  0.00    +0.086 C 
ATOM      4  N   LIG    1       -0.317  -0.628   0.569  0.00  0.00    -0.302 NA
ATOM      5  C   LIG    1        0.236  -0.454  -0.779  0.00  0.00    +0.086 C 
ATOM      6  C   LIG    1        0.686   0.969  -1.106  0.00  0.00    +0.037 C 
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1        2.703   2.187  -0.229  0.00  0.00    -0.341 N 
ATOM      8  H   LIG    1        2.861   3.143   0.083  0.00  0.00    +0.146 HD
BRANCH   7  12
ATOM      9  C   LIG    1        6.338   0.031  -0.229  0.00  0.00    +0.059 A 
ATOM     10  C   LIG    1        6.316   1.427  -0.217  0.00  0.00    +0.017 A 
ATOM     11  C   LIG    1        5.093   2.110  -0.207  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        3.863   1.433  -0.183  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1        3.908   0.041  -0.234  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1        5.124  -0.660  -0.244  0.00  0.00    +0.017 A 
BRANCH   9  15
ATOM     15  C   LIG    1        7.657  -0.657  -0.240  0.00  0.00    +0.339 C 
ATOM     16  O   LIG    1        8.725  -0.066  -0.230  0.00  0.00    -0.245 OA
BRANCH  15  18
ATOM     17  C   LIG    1        8.722  -2.734  -0.272  0.00  0.00    +0.280 C 
ATOM     18  O   LIG    1        7.495  -2.003  -0.259  0.00  0.00    -0.464 OA
ENDBRANCH  15  18
ENDBRANCH   9  15
ENDBRANCH   7  12
ENDBRANCH   1   7
BRANCH   4  19
ATOM     19  C   LIG    1       -1.624   0.030   0.720  0.00  0.00    +0.085 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.362  -0.409   1.993  0.00  0.00    +0.021 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.742   0.249   2.141  0.00  0.00    +0.054 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.717  -0.093   1.043  0.00  0.00    +0.021 A 
ATOM     23  N   LIG    1       -5.143  -1.401   0.959  0.00  0.00    -0.326 N 
ATOM     24  H   LIG    1       -4.794  -2.091   1.616  0.00  0.00    +0.169 HD
ATOM     25  C   LIG    1       -6.035  -1.883   0.025  0.00  0.00    +0.258 A 
ATOM     26  O   LIG    1       -6.380  -3.058  -0.002  0.00  0.00    -0.267 OA
ATOM     27  C   LIG    1       -6.557  -0.903  -0.947  0.00  0.00    +0.065 A 
ATOM     28  C   LIG    1       -6.132   0.418  -0.860  0.00  0.00    +0.078 A 
ATOM     29  N   LIG    1       -6.550   1.391  -1.705  0.00  0.00    -0.255 NA
ATOM     30  C   LIG    1       -7.426   1.020  -2.668  0.00  0.00    +0.111 A 
ATOM     31  C   LIG    1       -7.904  -0.275  -2.827  0.00  0.00    +0.020 A 
ATOM     32  C   LIG    1       -7.459  -1.258  -1.948  0.00  0.00    +0.017 A 
ATOM     33  C   LIG    1       -5.186   0.820   0.177  0.00  0.00    +0.049 A 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 8