REMARK  Name = BDB060071
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.759   0.103  -1.463  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -2.272  -0.350  -0.226  0.00  0.00    +0.074 A 
ATOM      3  C   LIG    1       -0.932  -0.062   0.070  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1       -0.107   0.634  -0.810  0.00  0.00    +0.090 A 
ATOM      5  N   LIG    1        1.144   0.801  -0.279  0.00  0.00    -0.229 NA
ATOM      6  C   LIG    1        1.137   0.183   0.887  0.00  0.00    +0.148 A 
ATOM      7  C   LIG    1       -0.607   1.057  -2.052  0.00  0.00    +0.033 A 
ATOM      8  N   LIG    1       -0.120  -0.335   1.147  0.00  0.00    -0.328 N 
ATOM      9  C   LIG    1       -0.519  -1.052   2.335  0.00  0.00    +0.150 C 
ATOM     10  C   LIG    1       -1.938   0.776  -2.374  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   1  11
ATOM     11  O   LIG    1       -4.055  -0.151  -1.862  0.00  0.00    -0.454 OA
BRANCH  11  14
ATOM     12  C   LIG    1       -6.051  -2.090  -1.319  0.00  0.00    +0.069 C 
ATOM     13  C   LIG    1       -6.061  -0.721  -0.700  0.00  0.00    +0.080 A 
ATOM     14  C   LIG    1       -5.051   0.200  -0.983  0.00  0.00    +0.149 A 
ATOM     15  C   LIG    1       -5.124   1.473  -0.411  0.00  0.00    +0.049 A 
ATOM     16  C   LIG    1       -6.174   1.775   0.450  0.00  0.00    +0.023 A 
ATOM     17  C   LIG    1       -7.120   0.795   0.696  0.00  0.00    +0.111 A 
ATOM     18  N   LIG    1       -7.088  -0.440   0.145  0.00  0.00    -0.257 NA
ENDBRANCH  11  14
ENDBRANCH   1  11
BRANCH   6  19
ATOM     19  C   LIG    1        2.304   0.085   1.822  0.00  0.00    +0.303 C 
BRANCH  19  20
ATOM     20  O   LIG    1        3.372  -0.606   1.160  0.00  0.00    -0.484 OA
BRANCH  20  21
ATOM     21  C   LIG    1        4.380   0.141   0.610  0.00  0.00    +0.122 A 
ATOM     22  C   LIG    1        5.561  -0.565   0.358  0.00  0.00    +0.060 A 
ATOM     23  C   LIG    1        6.663   0.089  -0.210  0.00  0.00    +0.062 A 
ATOM     24  C   LIG    1        6.581   1.441  -0.562  0.00  0.00    +0.015 A 
ATOM     25  C   LIG    1        5.398   2.141  -0.324  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        4.302   1.493   0.257  0.00  0.00    +0.046 A 
BRANCH  23  27
ATOM     27  C   LIG    1        7.920  -0.641  -0.482  0.00  0.00    +0.337 C 
ATOM     28  O   LIG    1        8.563  -0.519  -1.511  0.00  0.00    -0.245 OA
BRANCH  27  29
ATOM     29  O   LIG    1        8.301  -1.424   0.548  0.00  0.00    -0.477 OA
ATOM     30  H   LIG    1        7.777  -1.288   1.368  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  23  27
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   6  19
TORSDOF 7