REMARK  Name = BDB045817
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.170   0.273   0.241  0.00  0.00    -0.044 A 
ATOM      2  C   LIG    1       -2.412   1.406   0.558  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1       -1.371   1.333   1.492  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1       -1.071   0.123   2.115  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1       -1.823  -1.010   1.794  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -2.863  -0.941   0.863  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -4.316   0.365  -0.738  0.00  0.00    +0.078 C 
BRANCH   7   8
ATOM      8  C   LIG    1       -5.700   0.297  -0.069  0.00  0.00    +0.231 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -6.026   1.667   0.556  0.00  0.00    +0.334 C 
ATOM     10  O   LIG    1       -6.774   2.502   0.068  0.00  0.00    -0.248 OA
BRANCH   9  11
ATOM     11  O   LIG    1       -5.418   1.882   1.750  0.00  0.00    -0.479 OA
ATOM     12  H   LIG    1       -4.810   1.171   2.035  0.00  0.00    +0.295 HD
ENDBRANCH   9  11
ENDBRANCH   8   9
BRANCH   8  13
ATOM     13  O   LIG    1       -6.622  -0.079  -1.099  0.00  0.00    -0.362 OA
BRANCH  13  15
ATOM     14  C   LIG    1       -8.714  -0.119   0.188  0.00  0.00    +0.037 C 
ATOM     15  C   LIG    1       -7.719  -0.891  -0.672  0.00  0.00    +0.113 C 
ATOM     16  C   LIG    1       -8.403  -1.402  -1.935  0.00  0.00    +0.037 C 
ENDBRANCH  13  15
ENDBRANCH   8  13
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  17
ATOM     17  O   LIG    1       -0.092  -0.097   3.041  0.00  0.00    -0.484 OA
BRANCH  17  18
ATOM     18  C   LIG    1        0.793   0.981   3.381  0.00  0.00    +0.308 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.875   1.214   2.382  0.00  0.00    +0.209 A 
ATOM     20  N   LIG    1        2.798   0.253   2.046  0.00  0.00    -0.188 NA
ATOM     21  C   LIG    1        3.538   0.874   1.152  0.00  0.00    +0.259 A 
ATOM     22  O   LIG    1        3.140   2.165   0.935  0.00  0.00    -0.333 OA
ATOM     23  N   LIG    1        2.038   2.392   1.762  0.00  0.00    -0.057 NA
BRANCH  21  24
ATOM     24  C   LIG    1        4.687   0.393   0.394  0.00  0.00    +0.039 A 
ATOM     25  C   LIG    1        5.373   1.206  -0.517  0.00  0.00    +0.013 A 
ATOM     26  C   LIG    1        6.473   0.714  -1.230  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        6.915  -0.603  -1.049  0.00  0.00    -0.045 A 
ATOM     28  C   LIG    1        6.230  -1.417  -0.138  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        5.131  -0.925   0.574  0.00  0.00    +0.013 A 
BRANCH  27  30
ATOM     30  C   LIG    1        8.106  -1.159  -1.811  0.00  0.00    +0.013 C 
ATOM     31  C   LIG    1        9.392  -0.397  -1.478  0.00  0.00    +0.012 C 
ATOM     32  C   LIG    1        7.852  -1.169  -3.320  0.00  0.00    +0.012 C 
ENDBRANCH  27  30
ENDBRANCH  21  24
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   4  17
TORSDOF 11