REMARK  Name = BDB029546
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.972  -0.290   1.985  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1        1.795   0.053   0.819  0.00  0.00    +0.259 A 
ATOM      3  N   LIG    1        0.539   0.171   0.207  0.00  0.00    -0.312 N 
ATOM      4  C   LIG    1        0.387   0.610  -1.096  0.00  0.00    +0.090 A 
ATOM      5  C   LIG    1        1.427   0.941  -1.869  0.00  0.00    +0.026 A 
ATOM      6  C   LIG    1        2.780   0.832  -1.334  0.00  0.00    -0.011 A 
ATOM      7  C   LIG    1        3.894   1.147  -2.111  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1        5.186   1.034  -1.579  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1        5.397   0.624  -0.259  0.00  0.00    +0.028 A 
ATOM     10  C   LIG    1        4.270   0.286   0.505  0.00  0.00    +0.036 A 
ATOM     11  C   LIG    1        2.975   0.398  -0.021  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   9  12
ATOM     12  N   LIG    1        6.669   0.438   0.321  0.00  0.00    -0.337 N 
ATOM     13  H   LIG    1        6.609   0.399   1.337  0.00  0.00    +0.147 HD
BRANCH  12  14
ATOM     14  C   LIG    1        7.998   0.752  -0.133  0.00  0.00    +0.122 C 
ATOM     15  C   LIG    1        8.416   0.215  -1.500  0.00  0.00    +0.184 C 
ATOM     16  O   LIG    1        8.610   1.557  -2.018  0.00  0.00    -0.376 OA
ATOM     17  C   LIG    1        8.222   2.134  -0.744  0.00  0.00    +0.184 C 
ENDBRANCH  12  14
ENDBRANCH   9  12
BRANCH   3  18
ATOM     18  C   LIG    1       -0.660  -0.212   0.970  0.00  0.00    +0.157 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.179  -1.615   0.591  0.00  0.00    +0.148 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -0.243  -2.616   1.015  0.00  0.00    -0.389 OA
ATOM     21  H   LIG    1       -0.493  -3.455   0.593  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1       -2.541  -1.908   1.259  0.00  0.00    +0.117 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -3.635  -1.016   0.838  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1       -4.760  -1.120   1.793  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1       -5.995  -0.353   1.371  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1       -6.194   0.012   0.029  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1       -7.360   0.695  -0.342  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -8.336   0.991   0.609  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -8.151   0.613   1.937  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -5.125  -0.273  -0.993  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1       -6.988  -0.058   2.316  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1       -4.120  -1.331  -0.516  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 7