REMARK  Name = BDB056721
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.559  -0.702   1.194  0.00  0.00    +0.150 C 
ATOM      2  N   LIG    1       -0.033  -0.237  -0.068  0.00  0.00    -0.328 N 
ATOM      3  C   LIG    1        1.236   0.255  -0.274  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1        1.266   0.561  -1.631  0.00  0.00    +0.090 A 
ATOM      5  C   LIG    1        2.430   1.105  -2.195  0.00  0.00    +0.033 A 
ATOM      6  C   LIG    1        3.543   1.321  -1.373  0.00  0.00    +0.048 A 
ATOM      7  C   LIG    1        3.497   0.985  -0.016  0.00  0.00    +0.132 A 
ATOM      8  N   LIG    1        0.069   0.265  -2.228  0.00  0.00    -0.229 NA
ATOM      9  C   LIG    1        2.334   0.466   0.570  0.00  0.00    +0.074 A 
ATOM     10  C   LIG    1       -0.713  -0.195  -1.268  0.00  0.00    +0.148 A 
ENDROOT
BRANCH   7  11
ATOM     11  O   LIG    1        4.564   1.202   0.830  0.00  0.00    -0.438 OA
BRANCH  11  12
ATOM     12  C   LIG    1        5.793   0.763   0.382  0.00  0.00    +0.222 A 
ATOM     13  N   LIG    1        6.757   1.707   0.317  0.00  0.00    -0.221 NA
ATOM     14  C   LIG    1        7.984   1.306  -0.078  0.00  0.00    +0.116 A 
ATOM     15  C   LIG    1        8.296  -0.001  -0.398  0.00  0.00    +0.040 A 
ATOM     16  C   LIG    1        7.284  -0.946  -0.299  0.00  0.00    +0.047 A 
ATOM     17 CL   LIG    1        7.617  -2.593  -0.672  0.00  0.00    -0.083 Cl
ATOM     18  C   LIG    1        6.008  -0.576   0.102  0.00  0.00    +0.087 A 
ENDBRANCH  11  12
ENDBRANCH   7  11
BRANCH  10  19
ATOM     19  C   LIG    1       -2.128  -0.645  -1.454  0.00  0.00    +0.303 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -2.925   0.021  -0.475  0.00  0.00    -0.484 OA
BRANCH  20  21
ATOM     21  C   LIG    1       -4.254  -0.296  -0.434  0.00  0.00    +0.122 A 
ATOM     22  C   LIG    1       -4.961   0.296   0.616  0.00  0.00    +0.060 A 
ATOM     23  C   LIG    1       -6.330   0.057   0.779  0.00  0.00    +0.062 A 
ATOM     24  C   LIG    1       -6.998  -0.781  -0.120  0.00  0.00    +0.015 A 
ATOM     25  C   LIG    1       -6.296  -1.370  -1.172  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -4.928  -1.129  -1.330  0.00  0.00    +0.046 A 
BRANCH  23  27
ATOM     27  C   LIG    1       -7.026   0.706   1.916  0.00  0.00    +0.337 C 
ATOM     28  O   LIG    1       -6.507   1.413   2.760  0.00  0.00    -0.245 OA
BRANCH  27  29
ATOM     29  O   LIG    1       -8.343   0.436   1.945  0.00  0.00    -0.477 OA
ATOM     30  H   LIG    1       -8.665   0.928   2.729  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  23  27
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  10  19
TORSDOF 7