REMARK  Name = BDB056720
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.576  -0.866   1.315  0.00  0.00    +0.150 C 
ATOM      2  N   LIG    1       -0.076  -0.416   0.037  0.00  0.00    -0.328 N 
ATOM      3  C   LIG    1        1.185   0.078  -0.200  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1        1.189   0.364  -1.561  0.00  0.00    +0.090 A 
ATOM      5  C   LIG    1        2.343   0.897  -2.153  0.00  0.00    +0.033 A 
ATOM      6  C   LIG    1        3.472   1.125  -1.355  0.00  0.00    +0.048 A 
ATOM      7  C   LIG    1        3.453   0.813   0.007  0.00  0.00    +0.133 A 
ATOM      8  N   LIG    1       -0.020   0.062  -2.130  0.00  0.00    -0.229 NA
ATOM      9  C   LIG    1        2.300   0.303   0.619  0.00  0.00    +0.074 A 
ATOM     10  C   LIG    1       -0.780  -0.392  -1.149  0.00  0.00    +0.148 A 
ENDROOT
BRANCH   7  11
ATOM     11  O   LIG    1        4.527   1.032   0.848  0.00  0.00    -0.437 OA
BRANCH  11  12
ATOM     12  C   LIG    1        5.762   0.671   0.348  0.00  0.00    +0.239 A 
ATOM     13  C   LIG    1        6.233  -0.633   0.496  0.00  0.00    +0.103 A 
ATOM     14 CL   LIG    1        5.322  -1.878   1.261  0.00  0.00    -0.078 Cl
ATOM     15  C   LIG    1        7.507  -0.925   0.014  0.00  0.00    +0.027 A 
ATOM     16  C   LIG    1        8.264   0.084  -0.577  0.00  0.00    +0.021 A 
ATOM     17  C   LIG    1        7.720   1.356  -0.659  0.00  0.00    +0.115 A 
ATOM     18  N   LIG    1        6.489   1.676  -0.204  0.00  0.00    -0.220 NA
ENDBRANCH  11  12
ENDBRANCH   7  11
BRANCH  10  19
ATOM     19  C   LIG    1       -2.197  -0.845  -1.296  0.00  0.00    +0.303 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -2.982  -0.082  -0.378  0.00  0.00    -0.484 OA
BRANCH  20  21
ATOM     21  C   LIG    1       -4.326  -0.331  -0.351  0.00  0.00    +0.122 A 
ATOM     22  C   LIG    1       -5.038   0.448   0.565  0.00  0.00    +0.060 A 
ATOM     23  C   LIG    1       -6.423   0.296   0.691  0.00  0.00    +0.062 A 
ATOM     24  C   LIG    1       -7.097  -0.658  -0.075  0.00  0.00    +0.015 A 
ATOM     25  C   LIG    1       -6.387  -1.434  -0.990  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -5.006  -1.268  -1.133  0.00  0.00    +0.046 A 
BRANCH  23  27
ATOM     27  C   LIG    1       -7.199   1.107   1.654  0.00  0.00    +0.337 C 
ATOM     28  O   LIG    1       -8.102   0.649   2.331  0.00  0.00    -0.245 OA
BRANCH  27  29
ATOM     29  O   LIG    1       -6.831   2.405   1.670  0.00  0.00    -0.477 OA
ATOM     30  H   LIG    1       -6.212   2.663   0.962  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  23  27
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  10  19
TORSDOF 7