REMARK  Name = BDB056790
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.817  -0.872   1.423  0.00  0.00    +0.150 C 
ATOM      2  N   LIG    1       -1.218  -0.302   0.240  0.00  0.00    -0.328 N 
ATOM      3  C   LIG    1        0.115  -0.368  -0.093  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1        0.198   0.318  -1.301  0.00  0.00    +0.090 A 
ATOM      5  C   LIG    1        1.438   0.443  -1.946  0.00  0.00    +0.033 A 
ATOM      6  C   LIG    1        2.570  -0.128  -1.351  0.00  0.00    +0.048 A 
ATOM      7  C   LIG    1        2.466  -0.794  -0.127  0.00  0.00    +0.131 A 
ATOM      8  N   LIG    1       -1.032   0.784  -1.687  0.00  0.00    -0.229 NA
ATOM      9  C   LIG    1        1.232  -0.950   0.519  0.00  0.00    +0.074 A 
ATOM     10  C   LIG    1       -1.880   0.386  -0.756  0.00  0.00    +0.148 A 
ENDROOT
BRANCH   7  11
ATOM     11  O   LIG    1        3.551  -1.397   0.475  0.00  0.00    -0.456 OA
BRANCH  11  12
ATOM     12  C   LIG    1        4.700  -0.646   0.600  0.00  0.00    +0.132 A 
ATOM     13  C   LIG    1        5.902  -1.280   0.280  0.00  0.00    +0.092 A 
ATOM     14  C   LIG    1        7.066  -0.559   0.436  0.00  0.00    +0.127 A 
ATOM     15  O   LIG    1        8.317  -1.038   0.144  0.00  0.00    -0.491 OA
ATOM     16  C   LIG    1        9.203  -0.052   0.725  0.00  0.00    +0.234 C 
ATOM     17  C   LIG    1        8.451   1.270   0.883  0.00  0.00    +0.080 C 
ATOM     18  C   LIG    1        7.066   0.750   0.895  0.00  0.00    -0.002 A 
ATOM     19  C   LIG    1        5.884   1.389   1.227  0.00  0.00    +0.011 A 
ATOM     20  C   LIG    1        4.690   0.674   1.091  0.00  0.00    +0.047 A 
ENDBRANCH  11  12
ENDBRANCH   7  11
BRANCH  10  21
ATOM     21  C   LIG    1       -3.351   0.660  -0.754  0.00  0.00    +0.303 C 
BRANCH  21  22
ATOM     22  O   LIG    1       -4.018  -0.597  -0.627  0.00  0.00    -0.484 OA
BRANCH  22  23
ATOM     23  C   LIG    1       -5.384  -0.579  -0.604  0.00  0.00    +0.122 A 
ATOM     24  C   LIG    1       -6.193   0.557  -0.654  0.00  0.00    +0.060 A 
ATOM     25  C   LIG    1       -7.591   0.428  -0.617  0.00  0.00    +0.062 A 
ATOM     26  C   LIG    1       -8.176  -0.840  -0.531  0.00  0.00    +0.015 A 
ATOM     27  C   LIG    1       -7.368  -1.975  -0.483  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -5.980  -1.841  -0.519  0.00  0.00    +0.046 A 
BRANCH  25  29
ATOM     29  C   LIG    1       -8.406   1.666  -0.667  0.00  0.00    +0.337 C 
ATOM     30  O   LIG    1       -7.970   2.801  -0.711  0.00  0.00    -0.245 OA
BRANCH  29  31
ATOM     31  O   LIG    1       -9.728   1.423  -0.659  0.00  0.00    -0.477 OA
ATOM     32  H   LIG    1      -10.132   2.316  -0.702  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  25  29
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  10  21
TORSDOF 7