REMARK  Name = BDB056779
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.020  -1.789  -0.679  0.00  0.00    +0.148 A 
ATOM      2  N   LIG    1        1.088  -0.775  -0.602  0.00  0.00    -0.328 N 
ATOM      3  C   LIG    1        1.104   0.461  -1.348  0.00  0.00    +0.150 C 
ATOM      4  C   LIG    1        0.138  -1.135   0.326  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1        0.546  -2.392   0.763  0.00  0.00    +0.090 A 
ATOM      6  C   LIG    1       -0.205  -3.067   1.736  0.00  0.00    +0.033 A 
ATOM      7  C   LIG    1       -1.357  -2.454   2.244  0.00  0.00    +0.048 A 
ATOM      8  C   LIG    1       -1.758  -1.200   1.780  0.00  0.00    +0.131 A 
ATOM      9  C   LIG    1       -1.007  -0.499   0.825  0.00  0.00    +0.074 A 
ATOM     10  N   LIG    1        1.698  -2.781   0.130  0.00  0.00    -0.229 NA
ENDROOT
BRANCH   1  11
ATOM     11  C   LIG    1        3.228  -1.766  -1.560  0.00  0.00    +0.303 C 
BRANCH  11  12
ATOM     12  O   LIG    1        3.938  -0.535  -1.387  0.00  0.00    -0.484 OA
BRANCH  12  14
ATOM     13  C   LIG    1        5.510   0.822  -0.254  0.00  0.00    +0.059 A 
ATOM     14  C   LIG    1        4.790  -0.384  -0.326  0.00  0.00    +0.132 A 
ATOM     15  C   LIG    1        4.946  -1.318   0.705  0.00  0.00    +0.046 A 
ATOM     16  C   LIG    1        5.793  -1.053   1.787  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1        6.488   0.150   1.859  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        6.343   1.091   0.843  0.00  0.00    +0.015 A 
BRANCH  13  20
ATOM     19  C   LIG    1        5.398   1.472  -2.749  0.00  0.00    +0.092 C 
ATOM     20  C   LIG    1        5.420   1.876  -1.299  0.00  0.00    +0.164 C 
ATOM     21  O   LIG    1        5.391   3.059  -0.964  0.00  0.00    -0.292 OA
ENDBRANCH  13  20
ENDBRANCH  12  14
ENDBRANCH  11  12
ENDBRANCH   1  11
BRANCH   8  22
ATOM     22  O   LIG    1       -2.887  -0.662   2.362  0.00  0.00    -0.456 OA
BRANCH  22  23
ATOM     23  C   LIG    1       -3.808  -0.077   1.523  0.00  0.00    +0.129 A 
ATOM     24  C   LIG    1       -4.302  -0.716   0.388  0.00  0.00    +0.051 A 
ATOM     25  C   LIG    1       -5.266  -0.090  -0.418  0.00  0.00    -0.026 A 
ATOM     26  C   LIG    1       -5.792  -0.830  -1.619  0.00  0.00    +0.046 C 
ATOM     27  C   LIG    1       -5.715   1.211  -0.094  0.00  0.00    +0.031 A 
ATOM     28  C   LIG    1       -5.275   1.811   1.107  0.00  0.00    -0.026 A 
ATOM     29  C   LIG    1       -5.808   3.142   1.567  0.00  0.00    +0.046 C 
ATOM     30  C   LIG    1       -4.310   1.165   1.897  0.00  0.00    +0.051 A 
BRANCH  27  31
ATOM     31  N   LIG    1       -6.750   1.804  -0.840  0.00  0.00    -0.358 N 
ATOM     32  H   LIG    1       -6.784   1.507  -1.809  0.00  0.00    +0.142 HD
ATOM     33  H   LIG    1       -6.790   2.814  -0.759  0.00  0.00    +0.142 HD
ENDBRANCH  27  31
ENDBRANCH  22  23
ENDBRANCH   8  22
TORSDOF 7