REMARK  Name = BDB034278
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.786  -2.646  -0.487  0.00  0.00    +0.038 A 
ATOM      2  C   LIG    1       -0.541  -2.255  -0.124  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1       -1.455  -1.963  -1.165  0.00  0.00    +0.073 A 
ATOM      4  C   LIG    1       -2.743  -1.552  -0.848  0.00  0.00    +0.032 A 
ATOM      5  C   LIG    1       -3.190  -1.424   0.475  0.00  0.00    -0.045 A 
ATOM      6  C   LIG    1       -2.307  -1.730   1.506  0.00  0.00    +0.004 A 
ATOM      7  N   LIG    1       -1.145  -2.071  -2.464  0.00  0.00    -0.255 NA
ATOM      8  C   LIG    1        0.087  -2.505  -2.778  0.00  0.00    +0.113 A 
ATOM      9  C   LIG    1       -1.005  -2.141   1.211  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        1.061  -2.811  -1.846  0.00  0.00    +0.043 A 
ENDROOT
BRANCH   1  11
ATOM     11  N   LIG    1        1.728  -2.965   0.503  0.00  0.00    -0.343 N 
ATOM     12  H   LIG    1        1.544  -2.495   1.384  0.00  0.00    +0.146 HD
BRANCH  11  13
ATOM     13  C   LIG    1        3.158  -3.113   0.256  0.00  0.00    +0.103 C 
BRANCH  13  14
ATOM     14  C   LIG    1        3.929  -1.810   0.487  0.00  0.00    +0.034 C 
BRANCH  14  15
ATOM     15  C   LIG    1        3.662  -0.747  -0.580  0.00  0.00    +0.083 C 
BRANCH  15  16
ATOM     16  N   LIG    1        4.451   0.470  -0.365  0.00  0.00    -0.309 NA
ATOM     17  H   LIG    1        4.052   1.219  -0.936  0.00  0.00    +0.122 HD
BRANCH  16  18
ATOM     18  C   LIG    1        5.850   0.315  -0.776  0.00  0.00    +0.155 C 
BRANCH  18  21
ATOM     19  C   LIG    1        7.599   3.540  -0.188  0.00  0.00    +0.041 A 
ATOM     20  C   LIG    1        6.998   2.389   0.374  0.00  0.00    +0.046 A 
ATOM     21  C   LIG    1        6.557   1.621  -0.685  0.00  0.00    +0.119 A 
ATOM     22  O   LIG    1        6.854   2.243  -1.864  0.00  0.00    -0.467 OA
ATOM     23  C   LIG    1        7.486   3.403  -1.552  0.00  0.00    +0.195 A 
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  11  13
ENDBRANCH   1  11
BRANCH   5  24
ATOM     24  C   LIG    1       -4.599  -0.969   0.768  0.00  0.00    +0.038 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.845   0.525   0.475  0.00  0.00    -0.007 C 
ATOM     26  C   LIG    1       -6.349   0.833   0.583  0.00  0.00    +0.004 C 
ATOM     27  C   LIG    1       -6.647   2.311   0.343  0.00  0.00    +0.000 C 
ATOM     28  C   LIG    1       -5.844   3.205   1.281  0.00  0.00    +0.000 C 
ATOM     29  C   LIG    1       -4.351   2.914   1.185  0.00  0.00    +0.000 C 
ATOM     30  C   LIG    1       -4.045   1.437   1.423  0.00  0.00    +0.004 C 
ENDBRANCH  24  25
ENDBRANCH   5  24
TORSDOF 9