REMARK  Name = BDB039066
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.569  -1.648   1.158  0.00  0.00    +0.403 C 
ATOM      2  N   LIG    1        4.722  -0.902   0.357  0.00  0.00    -0.263 N 
ATOM      3  C   LIG    1        3.293  -1.028   0.597  0.00  0.00    +0.148 C 
ATOM      4  C   LIG    1        2.442   0.007  -0.097  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1        2.996   1.004  -0.949  0.00  0.00    -0.025 A 
ATOM      6  C   LIG    1        2.156   1.975  -1.539  0.00  0.00    +0.064 A 
ATOM      7  C   LIG    1        0.761   1.938  -1.363  0.00  0.00    +0.043 A 
ATOM      8  C   LIG    1        0.240   0.931  -0.546  0.00  0.00    +0.070 A 
ATOM      9  N   LIG    1       -1.041   0.605  -0.156  0.00  0.00    -0.327 N 
ATOM     10  C   LIG    1       -0.973  -0.504   0.660  0.00  0.00    +0.114 A 
ATOM     11  N   LIG    1        0.281  -0.880   0.818  0.00  0.00    -0.232 NA
ATOM     12  C   LIG    1        4.493   1.001  -1.175  0.00  0.00    +0.055 C 
ATOM     13  C   LIG    1        1.043  -0.012   0.079  0.00  0.00    +0.094 A 
ATOM     14  C   LIG    1        5.120  -0.369  -0.935  0.00  0.00    +0.116 C 
ATOM     15  O   LIG    1        5.201  -2.283   2.140  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  10  16
ATOM     16  C   LIG    1       -2.163  -1.179   1.295  0.00  0.00    +0.055 C 
ATOM     17  C   LIG    1       -2.022  -2.716   1.265  0.00  0.00    +0.011 C 
ATOM     18  C   LIG    1       -1.456  -3.272   2.568  0.00  0.00    +0.001 C 
ATOM     19  C   LIG    1       -2.343  -2.931   3.767  0.00  0.00    +0.000 C 
ATOM     20  C   LIG    1       -3.121  -1.625   3.600  0.00  0.00    +0.001 C 
ATOM     21  C   LIG    1       -2.374  -0.632   2.720  0.00  0.00    +0.011 C 
ENDBRANCH  10  16
BRANCH   1  23
ATOM     22  C   LIG    1        7.768  -2.351   1.549  0.00  0.00    +0.282 C 
ATOM     23  O   LIG    1        6.863  -1.599   0.740  0.00  0.00    -0.454 OA
ENDBRANCH   1  23
BRANCH   6  24
ATOM     24  C   LIG    1        2.645   3.087  -2.393  0.00  0.00    +0.337 C 
ATOM     25  O   LIG    1        2.058   3.551  -3.353  0.00  0.00    -0.245 OA
BRANCH  24  26
ATOM     26  O   LIG    1        3.790   3.627  -1.944  0.00  0.00    -0.477 OA
ATOM     27  H   LIG    1        3.955   4.378  -2.551  0.00  0.00    +0.295 HD
ENDBRANCH  24  26
ENDBRANCH   6  24
BRANCH   9  28
ATOM     28  C   LIG    1       -2.240   1.326  -0.546  0.00  0.00    +0.128 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -2.836   0.779  -1.841  0.00  0.00    +0.057 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -4.088   1.526  -2.224  0.00  0.00    -0.046 A 
ATOM     31  C   LIG    1       -4.014   2.667  -3.034  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -5.171   3.373  -3.366  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -6.410   2.947  -2.891  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -6.494   1.815  -2.082  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1       -5.338   1.107  -1.748  0.00  0.00    +0.004 A 
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH   9  28
TORSDOF 7