REMARK  Name = BDB048815
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.114   0.108   0.674  0.00  0.00    +0.081 C 
ATOM      2  C   LIG    1        2.460   0.198  -0.616  0.00  0.00    +0.169 C 
ATOM      3  C   LIG    1        1.123   0.723  -0.439  0.00  0.00    -0.000 A 
ATOM      4  C   LIG    1        1.020   0.948   0.943  0.00  0.00    -0.010 A 
ATOM      5  C   LIG    1       -0.165   1.432   1.477  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1       -1.238   1.700   0.615  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1       -1.126   1.474  -0.766  0.00  0.00    +0.121 A 
ATOM      8  C   LIG    1        0.068   0.974  -1.298  0.00  0.00    +0.052 A 
ATOM      9  C   LIG    1        2.285   0.569   1.640  0.00  0.00    +0.005 C 
ENDROOT
BRANCH   9  10
ATOM     10  C   LIG    1        2.571   0.720   3.027  0.00  0.00    +0.021 A 
ATOM     11  C   LIG    1        2.414   1.884   3.748  0.00  0.00    +0.203 A 
ATOM     12  O   LIG    1        2.764   1.691   5.046  0.00  0.00    -0.470 OA
ATOM     13  C   LIG    1        3.152   0.395   5.159  0.00  0.00    +0.195 A 
ATOM     14  C   LIG    1        3.048  -0.247   3.947  0.00  0.00    +0.049 A 
ENDBRANCH   9  10
BRANCH   2  15
ATOM     15  N   LIG    1        2.981  -0.379  -1.813  0.00  0.00    -0.181 N 
ATOM     16  O   LIG    1        3.605  -1.658  -1.716  0.00  0.00    -0.173 OA
ATOM     17  C   LIG    1        2.907   0.311  -3.095  0.00  0.00    +0.191 C 
ENDBRANCH   2  15
BRANCH   1  18
ATOM     18  C   LIG    1        4.512  -0.329   0.855  0.00  0.00    +0.339 C 
ATOM     19  O   LIG    1        4.895  -1.127   1.694  0.00  0.00    -0.245 OA
BRANCH  18  20
ATOM     20  O   LIG    1        5.291   0.341  -0.038  0.00  0.00    -0.462 OA
BRANCH  20  22
ATOM     21  C   LIG    1        6.965  -1.194  -0.878  0.00  0.00    +0.048 C 
ATOM     22  C   LIG    1        6.687   0.013  -0.003  0.00  0.00    +0.229 C 
ENDBRANCH  20  22
ENDBRANCH  18  20
ENDBRANCH   1  18
BRANCH   7  23
ATOM     23  O   LIG    1       -2.101   1.688  -1.700  0.00  0.00    -0.492 OA
BRANCH  23  24
ATOM     24  C   LIG    1       -3.375   2.177  -1.281  0.00  0.00    +0.229 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.291   1.053  -0.800  0.00  0.00    +0.046 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -4.499  -0.018  -1.875  0.00  0.00    +0.038 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -5.436  -1.100  -1.399  0.00  0.00    -0.047 A 
ATOM     28  C   LIG    1       -4.943  -2.202  -0.688  0.00  0.00    +0.003 A 
ATOM     29  C   LIG    1       -5.811  -3.195  -0.232  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -7.179  -3.093  -0.478  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -7.680  -1.998  -1.179  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -6.814  -1.004  -1.637  0.00  0.00    +0.003 A 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   7  23
TORSDOF 10