REMARK  Name = BDB048830
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.660  -0.315  -0.550  0.00  0.00    +0.096 C 
ATOM      2  C   LIG    1       -0.475  -1.240  -0.280  0.00  0.00    +0.125 C 
ATOM      3  N   LIG    1       -0.443  -2.500  -0.575  0.00  0.00    -0.084 NA
ATOM      4  C   LIG    1       -1.525  -0.415   0.328  0.00  0.00    +0.016 A 
ATOM      5  C   LIG    1       -1.025   0.880   0.387  0.00  0.00    -0.007 A 
ATOM      6  C   LIG    1       -1.798   1.909   0.905  0.00  0.00    +0.013 A 
ATOM      7  C   LIG    1       -3.085   1.617   1.374  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1       -3.585   0.306   1.319  0.00  0.00    +0.121 A 
ATOM      9  C   LIG    1       -2.796  -0.721   0.789  0.00  0.00    +0.056 A 
ATOM     10  C   LIG    1        0.332   0.932  -0.157  0.00  0.00    +0.006 C 
ENDROOT
BRANCH  10  11
ATOM     11  C   LIG    1        1.233   2.089  -0.207  0.00  0.00    -0.016 A 
ATOM     12  C   LIG    1        1.738   2.631   0.983  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1        2.585   3.740   0.950  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        2.933   4.316  -0.271  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1        2.435   3.783  -1.459  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        1.586   2.675  -1.428  0.00  0.00    +0.008 A 
ENDBRANCH  10  11
BRANCH   1  17
ATOM     17  C   LIG    1        1.946  -0.733  -1.114  0.00  0.00    +0.342 C 
ATOM     18  O   LIG    1        2.422  -0.291  -2.149  0.00  0.00    -0.245 OA
BRANCH  17  19
ATOM     19  O   LIG    1        2.509  -1.658  -0.296  0.00  0.00    -0.461 OA
BRANCH  19  21
ATOM     20  C   LIG    1        3.533  -3.366  -1.667  0.00  0.00    +0.048 C 
ATOM     21  C   LIG    1        3.764  -2.192  -0.734  0.00  0.00    +0.229 C 
ENDBRANCH  19  21
ENDBRANCH  17  19
ENDBRANCH   1  17
BRANCH   3  22
ATOM     22  O   LIG    1       -1.620  -3.172  -0.241  0.00  0.00    -0.397 OA
ATOM     23  C   LIG    1       -1.474  -4.539  -0.604  0.00  0.00    +0.313 C 
ENDBRANCH   3  22
BRANCH   8  24
ATOM     24  O   LIG    1       -4.822  -0.094   1.747  0.00  0.00    -0.495 OA
ATOM     25  C   LIG    1       -5.677   0.907   2.285  0.00  0.00    +0.277 C 
ENDBRANCH   8  24
TORSDOF 6