REMARK  Name = BDB056722
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.055  -1.791   0.633  0.00  0.00    +0.150 C 
ATOM      2  N   LIG    1        0.200  -0.381   0.910  0.00  0.00    -0.328 N 
ATOM      3  C   LIG    1        1.147   0.450   0.357  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1        0.879   1.694   0.919  0.00  0.00    +0.090 A 
ATOM      5  C   LIG    1        1.661   2.802   0.559  0.00  0.00    +0.033 A 
ATOM      6  C   LIG    1        2.703   2.624  -0.359  0.00  0.00    +0.048 A 
ATOM      7  C   LIG    1        2.968   1.362  -0.894  0.00  0.00    +0.132 A 
ATOM      8  N   LIG    1       -0.183   1.625   1.782  0.00  0.00    -0.229 NA
ATOM      9  C   LIG    1        2.182   0.247  -0.566  0.00  0.00    +0.074 A 
ATOM     10  C   LIG    1       -0.592   0.369   1.754  0.00  0.00    +0.148 A 
ENDROOT
BRANCH   7  11
ATOM     11  O   LIG    1        4.000   1.281  -1.806  0.00  0.00    -0.438 OA
BRANCH  11  12
ATOM     12  C   LIG    1        4.884   0.241  -1.611  0.00  0.00    +0.221 A 
ATOM     13  N   LIG    1        4.923  -0.693  -2.587  0.00  0.00    -0.220 NA
ATOM     14  C   LIG    1        5.820  -1.696  -2.426  0.00  0.00    +0.134 A 
ATOM     15  C   LIG    1        6.678  -1.800  -1.341  0.00  0.00    +0.059 A 
ATOM     16 CL   LIG    1        7.783  -3.107  -1.212  0.00  0.00    -0.082 Cl
ATOM     17  C   LIG    1        6.626  -0.818  -0.359  0.00  0.00    +0.027 A 
ATOM     18  C   LIG    1        5.717   0.230  -0.496  0.00  0.00    +0.069 A 
ENDBRANCH  11  12
ENDBRANCH   7  11
BRANCH  10  19
ATOM     19  C   LIG    1       -1.750  -0.172   2.530  0.00  0.00    +0.303 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -2.630  -0.886   1.656  0.00  0.00    -0.484 OA
BRANCH  20  21
ATOM     21  C   LIG    1       -3.596  -0.184   0.989  0.00  0.00    +0.122 A 
ATOM     22  C   LIG    1       -4.562  -0.979   0.366  0.00  0.00    +0.060 A 
ATOM     23  C   LIG    1       -5.606  -0.394  -0.363  0.00  0.00    +0.062 A 
ATOM     24  C   LIG    1       -5.677   0.998  -0.473  0.00  0.00    +0.015 A 
ATOM     25  C   LIG    1       -4.708   1.793   0.140  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -3.669   1.204   0.867  0.00  0.00    +0.046 A 
BRANCH  23  27
ATOM     27  C   LIG    1       -6.603  -1.287  -0.999  0.00  0.00    +0.337 C 
ATOM     28  O   LIG    1       -6.602  -2.503  -0.956  0.00  0.00    -0.245 OA
BRANCH  27  29
ATOM     29  O   LIG    1       -7.559  -0.614  -1.663  0.00  0.00    -0.477 OA
ATOM     30  H   LIG    1       -8.134  -1.320  -2.024  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  23  27
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  10  19
TORSDOF 7