REMARK  Name = BDB057785
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.916   0.150  -1.036  0.00  0.00    -0.302 NA
ATOM      2  C   LIG    1        0.329   1.369  -0.474  0.00  0.00    +0.085 C 
ATOM      3  C   LIG    1       -0.792   1.114   0.543  0.00  0.00    +0.022 C 
ATOM      4  C   LIG    1       -1.720  -0.068   0.146  0.00  0.00    +0.032 C 
ATOM      5  C   LIG    1       -1.560  -0.327  -1.362  0.00  0.00    +0.022 C 
ATOM      6  C   LIG    1       -0.103  -0.692  -1.691  0.00  0.00    +0.085 C 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        1.731  -0.623  -0.088  0.00  0.00    +0.087 C 
BRANCH   7   8
ATOM      8  C   LIG    1        2.964   0.110   0.452  0.00  0.00    +0.056 C 
BRANCH   8   9
ATOM      9  C   LIG    1        3.890   0.611  -0.654  0.00  0.00    +0.230 C 
BRANCH   9  10
ATOM     10  O   LIG    1        5.056   1.216  -0.088  0.00  0.00    -0.492 OA
BRANCH  10  14
ATOM     11  C   LIG    1        8.562  -0.895   0.716  0.00  0.00    +0.052 A 
ATOM     12  C   LIG    1        8.485   0.493   0.844  0.00  0.00    +0.022 A 
ATOM     13  C   LIG    1        7.286   1.153   0.562  0.00  0.00    +0.047 A 
ATOM     14  C   LIG    1        6.156   0.441   0.147  0.00  0.00    +0.121 A 
ATOM     15  C   LIG    1        6.234  -0.946   0.025  0.00  0.00    +0.047 A 
ATOM     16  C   LIG    1        7.433  -1.612   0.307  0.00  0.00    +0.022 A 
BRANCH  11  18
ATOM     17  N   LIG    1       10.777  -2.139   1.237  0.00  0.00    -0.191 NA
ATOM     18  C   LIG    1        9.787  -1.581   1.004  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       -3.202   0.064   0.677  0.00  0.00    +0.119 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -4.057  -1.223   0.600  0.00  0.00    -0.011 A 
ATOM     21  C   LIG    1       -5.433  -1.162   0.915  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1       -6.248  -2.296   0.875  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -5.705  -3.530   0.537  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -4.347  -3.628   0.255  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -3.531  -2.491   0.296  0.00  0.00    +0.007 A 
ENDBRANCH  19  20
BRANCH  19  26
ATOM     26  C   LIG    1       -3.923   1.274   0.039  0.00  0.00    -0.011 A 
ATOM     27  C   LIG    1       -4.139   2.475   0.740  0.00  0.00    +0.007 A 
ATOM     28  C   LIG    1       -4.789   3.558   0.141  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -5.247   3.462  -1.169  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -5.066   2.280  -1.878  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -4.417   1.197  -1.279  0.00  0.00    +0.007 A 
ENDBRANCH  19  26
BRANCH  19  32
ATOM     32  O   LIG    1       -3.112   0.254   2.107  0.00  0.00    -0.379 OA
ATOM     33  H   LIG    1       -2.484   0.970   2.279  0.00  0.00    +0.211 HD
ENDBRANCH  19  32
ENDBRANCH   4  19
TORSDOF 10