REMARK  Name = BDB039123
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.332  -0.343   1.424  0.00  0.00    +0.403 C 
ATOM      2  N   LIG    1        4.411   0.131   0.506  0.00  0.00    -0.263 N 
ATOM      3  C   LIG    1        3.046  -0.388   0.478  0.00  0.00    +0.148 C 
ATOM      4  C   LIG    1        2.103   0.364  -0.428  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1        2.530   1.465  -1.205  0.00  0.00    -0.039 A 
ATOM      6  C   LIG    1        1.625   2.165  -2.014  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        0.283   1.784  -2.109  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1       -0.123   0.677  -1.355  0.00  0.00    +0.070 A 
ATOM      9  N   LIG    1       -1.335   0.028  -1.201  0.00  0.00    -0.313 N 
ATOM     10  C   LIG    1       -1.160  -0.992  -0.280  0.00  0.00    +0.115 A 
ATOM     11  N   LIG    1        0.099  -1.038   0.106  0.00  0.00    -0.232 NA
ATOM     12  C   LIG    1        3.962   1.931  -1.109  0.00  0.00    +0.054 C 
ATOM     13  C   LIG    1        0.750  -0.016  -0.528  0.00  0.00    +0.094 A 
ATOM     14  C   LIG    1        4.893   0.796  -0.694  0.00  0.00    +0.116 C 
ATOM     15  O   LIG    1        6.532  -0.095   1.383  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  10  16
ATOM     16  C   LIG    1       -2.235  -1.931   0.221  0.00  0.00    +0.055 C 
ATOM     17  C   LIG    1       -1.935  -3.390  -0.158  0.00  0.00    +0.011 C 
ATOM     18  C   LIG    1       -0.881  -4.058   0.724  0.00  0.00    +0.001 C 
ATOM     19  C   LIG    1       -1.206  -3.910   2.206  0.00  0.00    +0.000 C 
ATOM     20  C   LIG    1       -1.403  -2.451   2.598  0.00  0.00    +0.001 C 
ATOM     21  C   LIG    1       -2.462  -1.769   1.734  0.00  0.00    +0.011 C 
ENDBRANCH  10  16
BRANCH   1  23
ATOM     22  C   LIG    1        5.673  -1.628   3.353  0.00  0.00    +0.282 C 
ATOM     23  O   LIG    1        4.758  -1.122   2.382  0.00  0.00    -0.454 OA
ENDBRANCH   1  23
BRANCH   9  24
ATOM     24  C   LIG    1       -2.543   0.359  -1.957  0.00  0.00    +0.201 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.080  -0.841  -2.720  0.00  0.00    +0.328 C 
ATOM     26  O   LIG    1       -4.260  -1.164  -2.751  0.00  0.00    -0.249 OA
BRANCH  25  27
ATOM     27  O   LIG    1       -2.150  -1.528  -3.427  0.00  0.00    -0.479 OA
ATOM     28  H   LIG    1       -1.223  -1.225  -3.332  0.00  0.00    +0.295 HD
ENDBRANCH  25  27
ENDBRANCH  24  25
BRANCH  24  29
ATOM     29  C   LIG    1       -3.622   1.043  -1.097  0.00  0.00    +0.071 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -3.248   2.459  -0.721  0.00  0.00    -0.045 A 
ATOM     31  C   LIG    1       -3.583   3.527  -1.565  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -3.206   4.830  -1.240  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -2.489   5.078  -0.071  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -2.152   4.024   0.775  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1       -2.530   2.720   0.454  0.00  0.00    +0.004 A 
ENDBRANCH  29  30
ENDBRANCH  24  29
ENDBRANCH   9  24
TORSDOF 7