REMARK  Name = BDB039043
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        6.293   1.982   0.353  0.00  0.00    +0.403 C 
ATOM      2  N   LIG    1        5.052   2.046  -0.254  0.00  0.00    -0.263 N 
ATOM      3  C   LIG    1        4.092   0.953  -0.119  0.00  0.00    +0.148 C 
ATOM      4  C   LIG    1        2.713   1.254  -0.647  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1        2.402   2.487  -1.264  0.00  0.00    -0.039 A 
ATOM      6  C   LIG    1        1.108   2.741  -1.736  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        0.093   1.785  -1.632  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        0.408   0.564  -1.024  0.00  0.00    +0.069 A 
ATOM      9  N   LIG    1       -0.326  -0.580  -0.736  0.00  0.00    -0.326 N 
ATOM     10  C   LIG    1        0.548  -1.512  -0.188  0.00  0.00    +0.114 A 
ATOM     11  N   LIG    1        1.747  -0.970  -0.045  0.00  0.00    -0.232 NA
ATOM     12  C   LIG    1        3.460   3.557  -1.366  0.00  0.00    +0.054 C 
ATOM     13  C   LIG    1        1.684   0.294  -0.553  0.00  0.00    +0.094 A 
ATOM     14  C   LIG    1        4.863   2.957  -1.372  0.00  0.00    +0.116 C 
ATOM     15  O   LIG    1        7.209   2.766   0.129  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  10  16
ATOM     16  C   LIG    1        0.331  -2.946   0.254  0.00  0.00    +0.055 C 
ATOM     17  C   LIG    1        0.387  -3.051   1.793  0.00  0.00    +0.011 C 
ATOM     18  C   LIG    1       -0.303  -4.300   2.347  0.00  0.00    +0.001 C 
ATOM     19  C   LIG    1       -0.145  -5.489   1.410  0.00  0.00    +0.000 C 
ATOM     20  C   LIG    1       -0.756  -5.220   0.034  0.00  0.00    +0.001 C 
ATOM     21  C   LIG    1       -0.838  -3.731  -0.326  0.00  0.00    +0.011 C 
ENDBRANCH  10  16
BRANCH   1  23
ATOM     22  C   LIG    1        7.654   0.849   1.887  0.00  0.00    +0.282 C 
ATOM     23  O   LIG    1        6.389   0.948   1.234  0.00  0.00    -0.454 OA
ENDBRANCH   1  23
BRANCH   9  24
ATOM     24  C   LIG    1       -1.735  -0.718  -1.065  0.00  0.00    +0.138 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -2.779  -0.235  -0.031  0.00  0.00    +0.120 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -3.264   1.237  -0.198  0.00  0.00    +0.004 C 
ATOM     27  C   LIG    1       -4.286   1.657   0.894  0.00  0.00    +0.004 C 
ATOM     28  C   LIG    1       -5.732   1.482   0.445  0.00  0.00    +0.000 C 
ATOM     29  C   LIG    1       -6.058   2.358  -0.763  0.00  0.00    +0.000 C 
ATOM     30  C   LIG    1       -4.843   2.631  -1.648  0.00  0.00    +0.000 C 
ATOM     31  C   LIG    1       -3.855   1.471  -1.612  0.00  0.00    +0.004 C 
ENDBRANCH  25  26
BRANCH  25  32
ATOM     32  C   LIG    1       -2.310  -0.552   1.368  0.00  0.00    +0.310 C 
ATOM     33  O   LIG    1       -2.568  -1.578   1.976  0.00  0.00    -0.251 OA
BRANCH  32  34
ATOM     34  O   LIG    1       -1.526   0.395   1.909  0.00  0.00    -0.480 OA
ATOM     35  H   LIG    1       -1.233   0.033   2.772  0.00  0.00    +0.295 HD
ENDBRANCH  32  34
ENDBRANCH  25  32
ENDBRANCH  24  25
ENDBRANCH   9  24
TORSDOF 7