REMARK  Name = BDB056774
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.450   0.384  -1.376  0.00  0.00    +0.150 C 
ATOM      2  N   LIG    1        0.816   0.192  -0.093  0.00  0.00    -0.328 N 
ATOM      3  C   LIG    1       -0.466  -0.267   0.105  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1       -0.616  -0.269   1.489  0.00  0.00    +0.090 A 
ATOM      5  C   LIG    1       -1.828  -0.692   2.056  0.00  0.00    +0.033 A 
ATOM      6  C   LIG    1       -2.865  -1.101   1.209  0.00  0.00    +0.048 A 
ATOM      7  C   LIG    1       -2.697  -1.073  -0.179  0.00  0.00    +0.131 A 
ATOM      8  N   LIG    1        0.526   0.167   2.107  0.00  0.00    -0.229 NA
ATOM      9  C   LIG    1       -1.487  -0.676  -0.762  0.00  0.00    +0.074 A 
ATOM     10  C   LIG    1        1.389   0.423   1.141  0.00  0.00    +0.148 A 
ENDROOT
BRANCH   7  11
ATOM     11  O   LIG    1       -3.683  -1.503  -1.041  0.00  0.00    -0.456 OA
BRANCH  11  12
ATOM     12  C   LIG    1       -4.944  -0.967  -0.876  0.00  0.00    +0.132 A 
ATOM     13  C   LIG    1       -5.156   0.404  -0.685  0.00  0.00    +0.093 A 
ATOM     14  C   LIG    1       -6.484   0.808  -0.571  0.00  0.00    +0.138 A 
ATOM     15  C   LIG    1       -7.575  -0.051  -0.651  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1       -8.723   0.769  -0.485  0.00  0.00    +0.049 A 
ATOM     17  C   LIG    1       -8.262   2.055  -0.319  0.00  0.00    +0.196 A 
ATOM     18  C   LIG    1       -7.340  -1.420  -0.865  0.00  0.00    +0.015 A 
ATOM     19  O   LIG    1       -6.905   2.088  -0.372  0.00  0.00    -0.463 OA
ATOM     20  C   LIG    1       -6.014  -1.862  -0.983  0.00  0.00    +0.047 A 
ENDBRANCH  11  12
ENDBRANCH   7  11
BRANCH  10  21
ATOM     21  C   LIG    1        2.783   0.928   1.342  0.00  0.00    +0.303 C 
BRANCH  21  22
ATOM     22  O   LIG    1        3.661   0.061   0.624  0.00  0.00    -0.484 OA
BRANCH  22  23
ATOM     23  C   LIG    1        4.993   0.370   0.643  0.00  0.00    +0.122 A 
ATOM     24  C   LIG    1        5.796  -0.477  -0.128  0.00  0.00    +0.060 A 
ATOM     25  C   LIG    1        7.179  -0.274  -0.201  0.00  0.00    +0.062 A 
ATOM     26  C   LIG    1        7.761   0.783   0.506  0.00  0.00    +0.015 A 
ATOM     27  C   LIG    1        6.963   1.627   1.279  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        5.582   1.421   1.348  0.00  0.00    +0.046 A 
BRANCH  25  29
ATOM     29  C   LIG    1        8.061  -1.149  -1.009  0.00  0.00    +0.337 C 
ATOM     30  O   LIG    1        9.269  -1.043  -1.110  0.00  0.00    -0.245 OA
BRANCH  29  31
ATOM     31  O   LIG    1        7.388  -2.115  -1.658  0.00  0.00    -0.477 OA
ATOM     32  H   LIG    1        8.088  -2.610  -2.135  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  25  29
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  10  21
TORSDOF 7