REMARK  Name = BDB024609
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.419   0.582   0.845  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1       -4.251  -0.191   0.728  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1       -4.204  -1.439   1.520  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1       -5.154  -2.504   0.947  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1       -2.809  -2.072   1.651  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1       -1.747  -1.003   1.791  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1       -1.805  -0.153   0.555  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -0.641   0.291  -0.103  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1        0.676   0.054   0.208  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1        1.388   0.668  -0.714  0.00  0.00    +0.112 A 
ATOM     11  N   LIG    1        0.565   1.318  -1.607  0.00  0.00    -0.331 N 
ATOM     12  C   LIG    1        1.001   2.104  -2.737  0.00  0.00    +0.150 C 
ATOM     13  C   LIG    1       -0.740   1.080  -1.243  0.00  0.00    +0.069 A 
ATOM     14  C   LIG    1       -1.969   1.456  -1.786  0.00  0.00    +0.030 A 
ATOM     15  C   LIG    1       -3.121   1.019  -1.119  0.00  0.00    +0.026 A 
ATOM     16  C   LIG    1       -3.063   0.242   0.048  0.00  0.00    +0.045 A 
ATOM     17  O   LIG    1       -6.431   0.198   1.429  0.00  0.00    -0.226 OA
ENDROOT
BRANCH   1  19
ATOM     18  C   LIG    1       -6.488   2.645   0.493  0.00  0.00    +0.282 C 
ATOM     19  O   LIG    1       -5.324   1.837   0.318  0.00  0.00    -0.453 OA
ENDBRANCH   1  19
BRANCH  10  20
ATOM     20  C   LIG    1        2.884   0.673  -0.806  0.00  0.00    +0.093 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.540  -0.379   0.106  0.00  0.00    +0.135 C 
BRANCH  21  22
ATOM     22  C   LIG    1        5.051  -0.188   0.163  0.00  0.00    -0.033 A 
ATOM     23  C   LIG    1        5.666   0.160   1.375  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1        7.047   0.349   1.444  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        7.831   0.193   0.303  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        7.235  -0.155  -0.907  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        5.854  -0.344  -0.979  0.00  0.00    +0.004 A 
ENDBRANCH  21  22
BRANCH  21  28
ATOM     28  C   LIG    1        3.180  -1.805  -0.276  0.00  0.00    +0.313 C 
ATOM     29  O   LIG    1        3.147  -2.765   0.480  0.00  0.00    -0.250 OA
BRANCH  28  30
ATOM     30  O   LIG    1        2.971  -1.999  -1.597  0.00  0.00    -0.480 OA
ATOM     31  H   LIG    1        2.754  -2.954  -1.640  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  21  28
ENDBRANCH  20  21
ENDBRANCH  10  20
TORSDOF 6