REMARK  Name = BDB054224
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.825  -0.418   0.713  0.00  0.00    +0.252 C 
ATOM      2  C   LIG    1       -0.817  -1.927   0.416  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1        0.445  -2.072  -0.414  0.00  0.00    +0.179 C 
ATOM      4  C   LIG    1        1.368  -1.052   0.242  0.00  0.00    +0.185 C 
ATOM      5  O   LIG    1        0.516   0.083   0.493  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   1  10
ATOM      6  C   LIG    1       -5.121   1.070  -0.944  0.00  0.00    +0.129 A 
ATOM      7  C   LIG    1       -3.720   1.024  -0.942  0.00  0.00    +0.058 A 
ATOM      8  C   LIG    1       -2.666   1.599  -1.705  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1       -1.473   1.141  -1.186  0.00  0.00    +0.091 A 
ATOM     10  N   LIG    1       -1.763   0.310  -0.132  0.00  0.00    -0.303 N 
ATOM     11  C   LIG    1       -3.126   0.225   0.024  0.00  0.00    +0.148 A 
ATOM     12  N   LIG    1       -3.756  -0.520   0.949  0.00  0.00    -0.218 NA
ATOM     13  C   LIG    1       -5.092  -0.393   0.849  0.00  0.00    +0.225 A 
ATOM     14  N   LIG    1       -5.796   0.350  -0.027  0.00  0.00    -0.220 NA
BRANCH   6  15
ATOM     15  N   LIG    1       -5.864   1.829  -1.835  0.00  0.00    -0.343 N 
ATOM     16  H   LIG    1       -6.814   1.946  -1.502  0.00  0.00    +0.144 HD
ATOM     17  H   LIG    1       -5.403   2.660  -2.177  0.00  0.00    +0.144 HD
ENDBRANCH   6  15
ENDBRANCH   1  10
BRANCH   2  18
ATOM     18  O   LIG    1       -0.663  -2.714   1.612  0.00  0.00    -0.385 OA
ATOM     19  H   LIG    1       -1.496  -2.621   2.116  0.00  0.00    +0.210 HD
ENDBRANCH   2  18
BRANCH   3  20
ATOM     20  O   LIG    1        0.982  -3.388  -0.385  0.00  0.00    -0.386 OA
ATOM     21  H   LIG    1        0.717  -3.758   0.485  0.00  0.00    +0.210 HD
ENDBRANCH   3  20
BRANCH   4  22
ATOM     22  C   LIG    1        2.580  -0.712  -0.651  0.00  0.00    +0.176 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.506   0.286   0.022  0.00  0.00    -0.017 A 
ATOM     24  C   LIG    1        4.585  -0.132   0.818  0.00  0.00    +0.006 A 
ATOM     25  C   LIG    1        5.411   0.800   1.448  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        5.168   2.163   1.297  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        4.098   2.595   0.516  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        3.272   1.664  -0.115  0.00  0.00    +0.006 A 
ENDBRANCH  22  23
BRANCH  22  29
ATOM     29  O   LIG    1        3.332  -1.884  -0.991  0.00  0.00    -0.385 OA
ATOM     30  H   LIG    1        2.712  -2.637  -1.064  0.00  0.00    +0.210 HD
ENDBRANCH  22  29
ENDBRANCH   4  22
TORSDOF 7