REMARK  Name = BDB048394
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.850   5.518  -1.842  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1        1.293   4.094  -1.638  0.00  0.00    -0.047 A 
ATOM      3  C   LIG    1        0.511   3.167  -0.910  0.00  0.00    -0.038 A 
ATOM      4  C   LIG    1       -0.839   3.574  -0.363  0.00  0.00    +0.054 C 
ATOM      5  C   LIG    1       -1.371   2.614   0.694  0.00  0.00    +0.113 C 
ATOM      6  N   LIG    1       -1.247   1.231   0.245  0.00  0.00    -0.292 N 
ATOM      7  C   LIG    1        0.143   0.787   0.003  0.00  0.00    +0.124 C 
ATOM      8  C   LIG    1       -2.313   0.368   0.479  0.00  0.00    +0.220 C 
ATOM      9  O   LIG    1       -3.325   0.743   1.074  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1        0.958   1.834  -0.757  0.00  0.00    -0.022 A 
ATOM     11  C   LIG    1        2.188   1.459  -1.325  0.00  0.00    +0.006 A 
ATOM     12  C   LIG    1        2.967   2.379  -2.019  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        2.524   3.688  -2.172  0.00  0.00    +0.003 A 
ENDROOT
BRANCH   8  14
ATOM     14  C   LIG    1       -2.228  -1.059  -0.087  0.00  0.00    +0.089 C 
ATOM     15  C   LIG    1       -3.260  -2.028   0.538  0.00  0.00    +0.109 C 
ATOM     16  C   LIG    1       -4.689  -1.814   0.019  0.00  0.00    +0.015 C 
ATOM     17  C   LIG    1       -4.751  -1.798  -1.504  0.00  0.00    +0.001 C 
ATOM     18  C   LIG    1       -3.782  -0.784  -2.094  0.00  0.00    +0.001 C 
ATOM     19  C   LIG    1       -2.352  -1.034  -1.620  0.00  0.00    +0.013 C 
BRANCH  15  20
ATOM     20  C   LIG    1       -3.233  -2.017   2.055  0.00  0.00    +0.309 C 
ATOM     21  O   LIG    1       -4.173  -2.210   2.807  0.00  0.00    -0.251 OA
BRANCH  20  22
ATOM     22  O   LIG    1       -1.990  -1.875   2.562  0.00  0.00    -0.480 OA
ATOM     23  H   LIG    1       -2.152  -1.887   3.530  0.00  0.00    +0.295 HD
ENDBRANCH  20  22
ENDBRANCH  15  20
ENDBRANCH   8  14
BRANCH   7  24
ATOM     24  C   LIG    1        0.816   0.383   1.352  0.00  0.00    +0.135 C 
BRANCH  24  25
ATOM     25  N   LIG    1        1.871  -0.617   1.240  0.00  0.00    -0.291 N 
ATOM     26  C   LIG    1        3.182  -0.405   1.632  0.00  0.00    +0.247 C 
ATOM     27  O   LIG    1        3.698   0.620   2.032  0.00  0.00    -0.270 OA
ATOM     28  C   LIG    1        3.876  -1.689   1.480  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1        2.949  -2.637   1.047  0.00  0.00    -0.018 A 
ATOM     30  C   LIG    1        3.342  -3.945   0.826  0.00  0.00    +0.006 A 
ATOM     31  C   LIG    1        4.684  -4.277   1.047  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        5.608  -3.309   1.485  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1        5.205  -1.992   1.708  0.00  0.00    +0.013 A 
ATOM     34  C   LIG    1        1.605  -2.007   0.903  0.00  0.00    +0.144 C 
ENDBRANCH  24  25
ENDBRANCH   7  24
TORSDOF 5