REMARK  Name = BDB060068
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.171  -0.614  -0.049  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -2.019  -0.480   0.736  0.00  0.00    +0.074 A 
ATOM      3  C   LIG    1       -0.787  -0.527   0.071  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1       -0.687  -0.712  -1.304  0.00  0.00    +0.090 A 
ATOM      5  N   LIG    1        0.623  -0.715  -1.706  0.00  0.00    -0.229 NA
ATOM      6  C   LIG    1        1.339  -0.519  -0.614  0.00  0.00    +0.148 A 
ATOM      7  C   LIG    1       -1.852  -0.871  -2.071  0.00  0.00    +0.033 A 
ATOM      8  N   LIG    1        0.519  -0.425   0.492  0.00  0.00    -0.328 N 
ATOM      9  C   LIG    1        0.949  -0.235   1.857  0.00  0.00    +0.150 C 
ATOM     10  C   LIG    1       -3.096  -0.828  -1.428  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   1  11
ATOM     11  O   LIG    1       -4.376  -0.597   0.622  0.00  0.00    -0.454 OA
BRANCH  11  14
ATOM     12  C   LIG    1       -6.991  -1.674   0.492  0.00  0.00    +0.047 C 
ATOM     13  C   LIG    1       -6.671  -0.271   0.067  0.00  0.00    -0.005 A 
ATOM     14  C   LIG    1       -5.362   0.220   0.123  0.00  0.00    +0.149 A 
ATOM     15  C   LIG    1       -5.131   1.539  -0.259  0.00  0.00    +0.157 A 
ATOM     16  N   LIG    1       -6.094   2.374  -0.717  0.00  0.00    -0.260 NA
ATOM     17  C   LIG    1       -7.344   1.870  -0.781  0.00  0.00    +0.111 A 
ATOM     18  C   LIG    1       -7.678   0.577  -0.404  0.00  0.00    +0.026 A 
ENDBRANCH  11  14
ENDBRANCH   1  11
BRANCH   6  19
ATOM     19  C   LIG    1        2.832  -0.442  -0.564  0.00  0.00    +0.303 C 
BRANCH  19  20
ATOM     20  O   LIG    1        3.175   0.775   0.099  0.00  0.00    -0.484 OA
BRANCH  20  21
ATOM     21  C   LIG    1        4.506   1.040   0.269  0.00  0.00    +0.122 A 
ATOM     22  C   LIG    1        5.565   0.232  -0.147  0.00  0.00    +0.060 A 
ATOM     23  C   LIG    1        6.889   0.628   0.099  0.00  0.00    +0.062 A 
ATOM     24  C   LIG    1        7.148   1.835   0.761  0.00  0.00    +0.015 A 
ATOM     25  C   LIG    1        6.091   2.643   1.174  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        4.777   2.244   0.927  0.00  0.00    +0.046 A 
BRANCH  23  27
ATOM     27  C   LIG    1        8.046  -0.198  -0.323  0.00  0.00    +0.337 C 
ATOM     28  O   LIG    1        9.220   0.079  -0.155  0.00  0.00    -0.245 OA
BRANCH  27  29
ATOM     29  O   LIG    1        7.679  -1.338  -0.934  0.00  0.00    -0.477 OA
ATOM     30  H   LIG    1        8.531  -1.768  -1.159  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  23  27
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   6  19
TORSDOF 7