REMARK  Name = BDB056780
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.455   0.280   2.219  0.00  0.00    +0.148 A 
ATOM      2  N   LIG    1        0.647   0.494   1.122  0.00  0.00    -0.328 N 
ATOM      3  C   LIG    1        0.723   1.614   0.213  0.00  0.00    +0.150 C 
ATOM      4  C   LIG    1       -0.239  -0.553   1.028  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1        0.074  -1.364   2.115  0.00  0.00    +0.090 A 
ATOM      6  C   LIG    1       -0.645  -2.549   2.328  0.00  0.00    +0.033 A 
ATOM      7  C   LIG    1       -1.670  -2.887   1.436  0.00  0.00    +0.048 A 
ATOM      8  C   LIG    1       -1.979  -2.050   0.362  0.00  0.00    +0.131 A 
ATOM      9  C   LIG    1       -1.256  -0.873   0.118  0.00  0.00    +0.074 A 
ATOM     10  N   LIG    1        1.110  -0.834   2.840  0.00  0.00    -0.229 NA
ENDROOT
BRANCH   1  11
ATOM     11  C   LIG    1        2.562   1.189   2.645  0.00  0.00    +0.303 C 
BRANCH  11  12
ATOM     12  O   LIG    1        3.440   1.434   1.540  0.00  0.00    -0.484 OA
BRANCH  12  15
ATOM     13  C   LIG    1        6.560   0.232   0.123  0.00  0.00    +0.021 A 
ATOM     14  C   LIG    1        5.450   1.024   0.440  0.00  0.00    +0.057 A 
ATOM     15  C   LIG    1        4.473   0.561   1.329  0.00  0.00    +0.122 A 
ATOM     16  C   LIG    1        4.600  -0.710   1.889  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1        5.704  -1.506   1.576  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1        6.681  -1.038   0.700  0.00  0.00    +0.011 A 
BRANCH  13  20
ATOM     19  C   LIG    1        7.501   2.052  -1.452  0.00  0.00    +0.091 C 
ATOM     20  C   LIG    1        7.626   0.693  -0.815  0.00  0.00    +0.160 C 
ATOM     21  O   LIG    1        8.588  -0.034  -1.057  0.00  0.00    -0.292 OA
ENDBRANCH  13  20
ENDBRANCH  12  15
ENDBRANCH  11  12
ENDBRANCH   1  11
BRANCH   8  22
ATOM     22  O   LIG    1       -2.983  -2.478  -0.483  0.00  0.00    -0.456 OA
BRANCH  22  23
ATOM     23  C   LIG    1       -3.924  -1.549  -0.862  0.00  0.00    +0.129 A 
ATOM     24  C   LIG    1       -4.274  -1.513  -2.207  0.00  0.00    +0.051 A 
ATOM     25  C   LIG    1       -5.250  -0.613  -2.667  0.00  0.00    -0.026 A 
ATOM     26  C   LIG    1       -5.614  -0.630  -4.127  0.00  0.00    +0.046 C 
ATOM     27  C   LIG    1       -5.857   0.286  -1.761  0.00  0.00    +0.031 A 
ATOM     28  C   LIG    1       -5.561   0.180  -0.384  0.00  0.00    -0.026 A 
ATOM     29  C   LIG    1       -6.266   1.025   0.643  0.00  0.00    +0.046 C 
ATOM     30  C   LIG    1       -4.582  -0.729   0.052  0.00  0.00    +0.051 A 
BRANCH  27  31
ATOM     31  N   LIG    1       -6.904   1.121  -2.194  0.00  0.00    -0.358 N 
ATOM     32  H   LIG    1       -6.847   1.383  -3.172  0.00  0.00    +0.142 HD
ATOM     33  H   LIG    1       -7.061   1.928  -1.601  0.00  0.00    +0.142 HD
ENDBRANCH  27  31
ENDBRANCH  22  23
ENDBRANCH   8  22
TORSDOF 7