REMARK  Name = BDB007621
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.513  -0.635  -0.701  0.00  0.00    +0.244 C 
ATOM      2  N   LIG    1       -0.512   0.138  -0.193  0.00  0.00    -0.309 N 
ATOM      3  H   LIG    1       -0.304   0.760   0.577  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        0.325  -1.635  -1.383  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   8
ATOM      5  C   LIG    1        4.550   0.481   0.277  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1        3.540   1.448   0.283  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1        2.220   1.109  -0.034  0.00  0.00    +0.016 A 
ATOM      8  C   LIG    1        1.899  -0.214  -0.352  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1        2.913  -1.180  -0.373  0.00  0.00    +0.016 A 
ATOM     10  C   LIG    1        4.232  -0.835  -0.056  0.00  0.00    +0.046 A 
BRANCH   5  11
ATOM     11  O   LIG    1        5.790   0.953   0.606  0.00  0.00    -0.492 OA
BRANCH  11  12
ATOM     12  C   LIG    1        6.868   0.017   0.597  0.00  0.00    +0.231 C 
BRANCH  12  13
ATOM     13  C   LIG    1        8.139   0.761   0.985  0.00  0.00    +0.069 C 
BRANCH  13  14
ATOM     14  C   LIG    1        9.347  -0.162   1.000  0.00  0.00    +0.163 C 
BRANCH  14  16
ATOM     15  C   LIG    1       11.669  -0.194   1.407  0.00  0.00    +0.193 C 
ATOM     16  O   LIG    1       10.492   0.602   1.372  0.00  0.00    -0.383 OA
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   5  11
ENDBRANCH   1   8
BRANCH   2  17
ATOM     17  C   LIG    1       -1.904  -0.287  -0.326  0.00  0.00    +0.137 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.434  -0.115  -1.759  0.00  0.00    +0.145 C 
BRANCH  18  19
ATOM     19  O   LIG    1       -2.325   1.260  -2.159  0.00  0.00    -0.389 OA
ATOM     20  H   LIG    1       -1.391   1.492  -2.004  0.00  0.00    +0.210 HD
ENDBRANCH  18  19
BRANCH  18  21
ATOM     21  C   LIG    1       -3.884  -0.627  -1.925  0.00  0.00    +0.117 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -4.849  -0.234  -0.872  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1       -6.090  -1.025  -1.029  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1       -7.207  -0.607  -0.098  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1       -7.222   0.674   0.479  0.00  0.00    -0.042 A 
ATOM     26  C   LIG    1       -8.284   1.052   1.311  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -9.341   0.173   1.547  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -9.341  -1.090   0.961  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -6.063   1.609   0.256  0.00  0.00    +0.051 C 
ATOM     30  C   LIG    1       -8.281  -1.478   0.139  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1       -5.183   1.200  -0.935  0.00  0.00    +0.089 C 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  17  18
ENDBRANCH   2  17
TORSDOF 11