REMARK  Name = BDB060081
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.005  -0.228   1.361  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1        0.950  -0.791   0.632  0.00  0.00    +0.074 A 
ATOM      3  C   LIG    1       -0.049   0.082   0.182  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1       -0.028   1.446   0.457  0.00  0.00    +0.090 A 
ATOM      5  N   LIG    1       -1.119   2.073  -0.086  0.00  0.00    -0.229 NA
ATOM      6  C   LIG    1       -1.824   1.127  -0.679  0.00  0.00    +0.148 A 
ATOM      7  C   LIG    1        1.026   1.987   1.210  0.00  0.00    +0.033 A 
ATOM      8  N   LIG    1       -1.197  -0.096  -0.554  0.00  0.00    -0.328 N 
ATOM      9  C   LIG    1       -1.668  -1.352  -1.087  0.00  0.00    +0.150 C 
ATOM     10  C   LIG    1        2.039   1.135   1.666  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   1  11
ATOM     11  O   LIG    1        2.968  -1.099   1.825  0.00  0.00    -0.456 OA
BRANCH  11  17
ATOM     12  C   LIG    1        6.073  -0.074   0.177  0.00  0.00    +0.218 A 
ATOM     13  N   LIG    1        6.989  -0.289   1.147  0.00  0.00    -0.218 NA
ATOM     14  C   LIG    1        6.544  -0.774   2.330  0.00  0.00    +0.046 A 
ATOM     15  C   LIG    1        7.564  -1.025   3.398  0.00  0.00    +0.066 C 
ATOM     16  C   LIG    1        5.202  -1.043   2.570  0.00  0.00    +0.069 A 
ATOM     17  C   LIG    1        4.283  -0.788   1.558  0.00  0.00    +0.135 A 
ATOM     18  C   LIG    1        4.720  -0.312   0.328  0.00  0.00    +0.113 A 
BRANCH  12  20
ATOM     19  C   LIG    1        7.877   0.636  -1.133  0.00  0.00    +0.279 C 
ATOM     20  O   LIG    1        6.474   0.406  -1.055  0.00  0.00    -0.480 OA
ENDBRANCH  12  20
ENDBRANCH  11  17
ENDBRANCH   1  11
BRANCH   6  21
ATOM     21  C   LIG    1       -3.111   1.342  -1.409  0.00  0.00    +0.303 C 
BRANCH  21  22
ATOM     22  O   LIG    1       -4.083   0.482  -0.814  0.00  0.00    -0.484 OA
BRANCH  22  23
ATOM     23  C   LIG    1       -5.348   0.520  -1.332  0.00  0.00    +0.122 A 
ATOM     24  C   LIG    1       -6.253  -0.342  -0.706  0.00  0.00    +0.060 A 
ATOM     25  C   LIG    1       -7.582  -0.399  -1.137  0.00  0.00    +0.062 A 
ATOM     26  C   LIG    1       -8.005   0.380  -2.216  0.00  0.00    +0.015 A 
ATOM     27  C   LIG    1       -7.104   1.242  -2.838  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -5.779   1.317  -2.394  0.00  0.00    +0.046 A 
BRANCH  25  29
ATOM     29  C   LIG    1       -8.558  -1.306  -0.493  0.00  0.00    +0.337 C 
ATOM     30  O   LIG    1       -9.381  -1.949  -1.120  0.00  0.00    -0.245 OA
BRANCH  29  31
ATOM     31  O   LIG    1       -8.467  -1.309   0.853  0.00  0.00    -0.477 OA
ATOM     32  H   LIG    1       -7.879  -0.625   1.225  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  25  29
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   6  21
TORSDOF 8