REMARK  Name = BDB018876
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.029  -1.082  -1.023  0.00  0.00    +0.240 C 
ATOM      2  N   LIG    1       -0.313  -1.282  -0.749  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1       -1.418  -0.417  -0.624  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1       -2.549  -1.149  -0.237  0.00  0.00    -0.017 A 
ATOM      5  C   LIG    1       -3.797  -0.551  -0.047  0.00  0.00    -0.012 A 
ATOM      6  C   LIG    1       -3.890   0.832  -0.274  0.00  0.00    +0.020 A 
ATOM      7  C   LIG    1       -2.772   1.589  -0.667  0.00  0.00    +0.021 A 
ATOM      8  C   LIG    1       -2.212  -2.596  -0.036  0.00  0.00    +0.057 C 
ATOM      9  C   LIG    1       -1.532   0.946  -0.843  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1       -0.782  -2.662  -0.562  0.00  0.00    +0.118 C 
ATOM     11  O   LIG    1        1.771  -2.060  -1.198  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   1  14
ATOM     12  C   LIG    1        3.600   0.281   0.285  0.00  0.00    +0.404 C 
ATOM     13  N   LIG    1        3.042   0.361  -0.962  0.00  0.00    -0.256 N 
ATOM     14  C   LIG    1        1.594   0.346  -1.155  0.00  0.00    +0.166 C 
ATOM     15  C   LIG    1        1.427   0.866  -2.586  0.00  0.00    +0.033 C 
ATOM     16  C   LIG    1        2.704   0.402  -3.285  0.00  0.00    +0.021 C 
ATOM     17  C   LIG    1        3.765   0.535  -2.204  0.00  0.00    +0.112 C 
ATOM     18  O   LIG    1        2.941   0.181   1.312  0.00  0.00    -0.226 OA
BRANCH  12  19
ATOM     19  O   LIG    1        4.955   0.343   0.230  0.00  0.00    -0.445 OA
BRANCH  19  21
ATOM     20  C   LIG    1        5.563  -1.089   2.139  0.00  0.00    +0.055 C 
ATOM     21  C   LIG    1        5.754   0.259   1.436  0.00  0.00    +0.107 C 
ATOM     22  C   LIG    1        7.207   0.354   0.945  0.00  0.00    +0.055 C 
ATOM     23  C   LIG    1        5.477   1.441   2.372  0.00  0.00    +0.055 C 
ENDBRANCH  19  21
ENDBRANCH  12  19
ENDBRANCH   1  14
BRANCH   7  24
ATOM     24  C   LIG    1       -2.857   3.030  -0.914  0.00  0.00    +0.162 A 
ATOM     25  N   LIG    1       -3.882   3.852  -0.513  0.00  0.00    -0.328 N 
ATOM     26  H   LIG    1       -4.700   3.585   0.010  0.00  0.00    +0.168 HD
ATOM     27  C   LIG    1       -3.562   5.106  -0.932  0.00  0.00    +0.222 A 
ATOM     28  N   LIG    1       -2.410   5.077  -1.556  0.00  0.00    -0.138 NA
ATOM     29  N   LIG    1       -1.964   3.777  -1.539  0.00  0.00    -0.130 NA
ENDBRANCH   7  24
BRANCH   5  30
ATOM     30  C   LIG    1       -4.977  -1.314   0.368  0.00  0.00    -0.018 A 
ATOM     31  C   LIG    1       -5.994  -1.616  -0.550  0.00  0.00    +0.008 A 
ATOM     32  C   LIG    1       -7.121  -2.340  -0.155  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1       -7.247  -2.769   1.165  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -6.247  -2.475   2.089  0.00  0.00    +0.001 A 
ATOM     35  C   LIG    1       -5.120  -1.752   1.694  0.00  0.00    +0.008 A 
ENDBRANCH   5  30
TORSDOF 5