REMARK  Name = BDB057776
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.741   0.264   0.347  0.00  0.00    -0.302 NA
ATOM      2  C   LIG    1        0.850   1.146  -0.421  0.00  0.00    +0.085 C 
ATOM      3  C   LIG    1       -0.396   1.550   0.368  0.00  0.00    +0.022 C 
ATOM      4  C   LIG    1       -1.289   0.338   0.742  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1       -0.405  -0.938   0.815  0.00  0.00    +0.022 C 
ATOM      6  C   LIG    1        1.016  -0.616   1.273  0.00  0.00    +0.085 C 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        2.660  -0.497  -0.519  0.00  0.00    +0.087 C 
BRANCH   7   8
ATOM      8  C   LIG    1        3.615   0.402  -1.317  0.00  0.00    +0.056 C 
BRANCH   8   9
ATOM      9  C   LIG    1        4.571  -0.414  -2.189  0.00  0.00    +0.230 C 
BRANCH   9  10
ATOM     10  O   LIG    1        5.339  -1.345  -1.427  0.00  0.00    -0.492 OA
BRANCH  10  14
ATOM     11  C   LIG    1        8.943  -0.371   0.430  0.00  0.00    +0.052 A 
ATOM     12  C   LIG    1        8.427  -1.668   0.444  0.00  0.00    +0.022 A 
ATOM     13  C   LIG    1        7.214  -1.942  -0.194  0.00  0.00    +0.047 A 
ATOM     14  C   LIG    1        6.506  -0.931  -0.853  0.00  0.00    +0.121 A 
ATOM     15  C   LIG    1        7.023   0.364  -0.864  0.00  0.00    +0.047 A 
ATOM     16  C   LIG    1        8.238   0.644  -0.225  0.00  0.00    +0.022 A 
BRANCH  11  18
ATOM     17  N   LIG    1       11.193   0.155   1.609  0.00  0.00    -0.191 NA
ATOM     18  C   LIG    1       10.186  -0.081   1.082  0.00  0.00    +0.099 C 
ENDBRANCH  11  18
ENDBRANCH  10  14
ENDBRANCH   9  10
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  19
ATOM     19  C   LIG    1       -2.558   0.157  -0.188  0.00  0.00    +0.097 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.503   1.425  -0.191  0.00  0.00    +0.025 C 
ATOM     21  C   LIG    1       -3.929   1.915   1.210  0.00  0.00    +0.007 C 
ATOM     22  C   LIG    1       -5.080   2.913   1.128  0.00  0.00    +0.000 C 
ATOM     23  C   LIG    1       -6.337   2.280   0.532  0.00  0.00    +0.000 C 
ATOM     24  C   LIG    1       -6.040   1.134  -0.436  0.00  0.00    +0.000 C 
ATOM     25  C   LIG    1       -4.713   1.330  -1.160  0.00  0.00    +0.007 C 
ENDBRANCH  19  20
BRANCH  19  26
ATOM     26  C   LIG    1       -3.350  -1.130   0.138  0.00  0.00    -0.016 A 
ATOM     27  C   LIG    1       -3.605  -1.528   1.463  0.00  0.00    +0.006 A 
ATOM     28  C   LIG    1       -4.327  -2.690   1.750  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -4.819  -3.481   0.718  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -4.594  -3.107  -0.602  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -3.870  -1.946  -0.887  0.00  0.00    +0.006 A 
ENDBRANCH  19  26
BRANCH  19  32
ATOM     32  O   LIG    1       -2.040   0.064  -1.533  0.00  0.00    -0.383 OA
ATOM     33  H   LIG    1       -1.671  -0.829  -1.641  0.00  0.00    +0.211 HD
ENDBRANCH  19  32
ENDBRANCH   4  19
TORSDOF 10