REMARK  Name = BDB056719
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.990  -0.729   1.699  0.00  0.00    +0.132 A 
ATOM      2  C   LIG    1       -2.166  -1.051   0.610  0.00  0.00    +0.074 A 
ATOM      3  C   LIG    1       -0.882  -1.531   0.903  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1       -0.425  -1.700   2.206  0.00  0.00    +0.090 A 
ATOM      5  N   LIG    1        0.861  -2.172   2.220  0.00  0.00    -0.229 NA
ATOM      6  C   LIG    1        1.214  -2.298   0.953  0.00  0.00    +0.148 A 
ATOM      7  C   LIG    1       -1.272  -1.397   3.283  0.00  0.00    +0.033 A 
ATOM      8  N   LIG    1        0.175  -1.938   0.121  0.00  0.00    -0.328 N 
ATOM      9  C   LIG    1        0.189  -1.965  -1.322  0.00  0.00    +0.150 C 
ATOM     10  C   LIG    1       -2.559  -0.916   3.014  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   1  11
ATOM     11  O   LIG    1       -4.283  -0.272   1.544  0.00  0.00    -0.438 OA
BRANCH  11  16
ATOM     12  C   LIG    1       -5.366   3.338  -2.611  0.00  0.00    +0.045 C 
ATOM     13  C   LIG    1       -5.017   2.401  -1.499  0.00  0.00    -0.032 A 
ATOM     14  C   LIG    1       -5.503   1.096  -1.484  0.00  0.00    +0.118 A 
ATOM     15  N   LIG    1       -5.257   0.203  -0.500  0.00  0.00    -0.221 NA
ATOM     16  C   LIG    1       -4.489   0.633   0.524  0.00  0.00    +0.220 A 
ATOM     17  C   LIG    1       -3.981   1.921   0.623  0.00  0.00    +0.068 A 
ATOM     18  C   LIG    1       -4.250   2.816  -0.409  0.00  0.00    +0.010 A 
ENDBRANCH  11  16
ENDBRANCH   1  11
BRANCH   6  19
ATOM     19  C   LIG    1        2.549  -2.776   0.479  0.00  0.00    +0.303 C 
BRANCH  19  20
ATOM     20  O   LIG    1        3.084  -1.852  -0.475  0.00  0.00    -0.484 OA
BRANCH  20  21
ATOM     21  C   LIG    1        3.795  -0.778  -0.013  0.00  0.00    +0.122 A 
ATOM     22  C   LIG    1        4.487  -0.073  -1.002  0.00  0.00    +0.060 A 
ATOM     23  C   LIG    1        5.250   1.054  -0.671  0.00  0.00    +0.062 A 
ATOM     24  C   LIG    1        5.314   1.480   0.659  0.00  0.00    +0.015 A 
ATOM     25  C   LIG    1        4.615   0.786   1.646  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        3.855  -0.339   1.310  0.00  0.00    +0.046 A 
BRANCH  23  27
ATOM     27  C   LIG    1        5.996   1.826  -1.692  0.00  0.00    +0.337 C 
ATOM     28  O   LIG    1        6.668   2.820  -1.484  0.00  0.00    -0.245 OA
BRANCH  27  29
ATOM     29  O   LIG    1        5.867   1.320  -2.932  0.00  0.00    -0.477 OA
ATOM     30  H   LIG    1        6.404   1.923  -3.488  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  23  27
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   6  19
TORSDOF 7