REMARK  Name = BDB060905
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.091  -0.558   0.068  0.00  0.00    +0.041 A 
ATOM      2  C   LIG    1        0.183   0.837   0.279  0.00  0.00    +0.056 A 
ATOM      3  C   LIG    1       -0.657   1.731   1.119  0.00  0.00    +0.196 C 
ATOM      4  C   LIG    1       -0.320   3.206   1.146  0.00  0.00    +0.033 A 
ATOM      5  C   LIG    1        0.750   3.702   0.360  0.00  0.00    +0.031 A 
ATOM      6  C   LIG    1        1.452   2.717  -0.419  0.00  0.00    +0.176 A 
ATOM      7  O   LIG    1        2.496   2.984  -1.239  0.00  0.00    -0.353 OA
ATOM      8  N   LIG    1        2.929   1.780  -1.828  0.00  0.00    -0.076 NA
ATOM      9  C   LIG    1        2.128   0.799  -1.344  0.00  0.00    +0.135 A 
ATOM     10  C   LIG    1        2.094  -0.600  -1.556  0.00  0.00    +0.059 A 
ATOM     11  C   LIG    1        1.062   5.060   0.376  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1        0.309   5.925   1.174  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -0.749   5.438   1.950  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -1.067   4.079   1.939  0.00  0.00    +0.012 A 
ATOM     15  O   LIG    1       -1.605   1.284   1.752  0.00  0.00    -0.287 OA
ATOM     16  C   LIG    1        1.199   1.391  -0.463  0.00  0.00    +0.063 A 
ATOM     17  C   LIG    1        1.034  -1.226  -0.816  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   1  18
ATOM     18  N   LIG    1       -0.858  -1.302   0.793  0.00  0.00    -0.343 N 
ATOM     19  H   LIG    1       -1.504  -0.686   1.308  0.00  0.00    +0.146 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -1.566  -2.427   0.181  0.00  0.00    +0.103 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.463  -2.010  -0.988  0.00  0.00    +0.034 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.623  -1.086  -0.593  0.00  0.00    +0.085 C 
BRANCH  22  24
ATOM     23  C   LIG    1       -5.381  -2.712  -0.157  0.00  0.00    +0.104 C 
ATOM     24  N   LIG    1       -4.528  -1.667   0.412  0.00  0.00    -0.308 NA
ATOM     25  C   LIG    1       -5.361  -0.616   1.004  0.00  0.00    +0.104 C 
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   1  18
BRANCH  10  26
ATOM     26  N   LIG    1        2.969  -1.291  -2.404  0.00  0.00    -0.335 N 
ATOM     27  H   LIG    1        3.655  -0.630  -2.779  0.00  0.00    +0.147 HD
BRANCH  26  28
ATOM     28  C   LIG    1        3.666  -2.442  -1.818  0.00  0.00    +0.176 C 
BRANCH  28  29
ATOM     29  C   LIG    1        4.646  -2.110  -0.745  0.00  0.00    +0.122 A 
ATOM     30  O   LIG    1        5.889  -1.717  -1.151  0.00  0.00    -0.466 OA
ATOM     31  C   LIG    1        6.605  -1.449  -0.029  0.00  0.00    +0.195 A 
ATOM     32  C   LIG    1        5.842  -1.664   1.094  0.00  0.00    +0.041 A 
ATOM     33  C   LIG    1        4.573  -2.090   0.633  0.00  0.00    +0.046 A 
ENDBRANCH  28  29
ENDBRANCH  26  28
ENDBRANCH  10  26
TORSDOF 8