REMARK  Name = BDB059134
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.431  -1.472  -0.531  0.00  0.00    +0.023 C 
ATOM      2  C   LIG    1       -0.768  -0.923  -1.920  0.00  0.00    +0.148 C 
ATOM      3  C   LIG    1       -2.190  -1.439  -2.195  0.00  0.00    +0.166 C 
ATOM      4  C   LIG    1       -2.848  -1.583  -0.807  0.00  0.00    +0.120 C 
ATOM      5  C   LIG    1       -1.748  -1.284   0.227  0.00  0.00    +0.034 C 
ENDROOT
BRANCH   4   6
ATOM      6  N   LIG    1       -4.035  -0.762  -0.626  0.00  0.00    -0.326 N 
ATOM      7  C   LIG    1       -4.112   0.598  -0.813  0.00  0.00    +0.146 A 
ATOM      8  C   LIG    1       -5.412   0.997  -0.535  0.00  0.00    +0.058 A 
ATOM      9  C   LIG    1       -5.694   2.363  -0.670  0.00  0.00    +0.129 A 
ATOM     10  N   LIG    1       -4.708   3.198  -1.050  0.00  0.00    -0.220 NA
ATOM     11  C   LIG    1       -3.490   2.677  -1.292  0.00  0.00    +0.225 A 
ATOM     12  C   LIG    1       -6.135  -0.172  -0.172  0.00  0.00    +0.032 A 
ATOM     13  N   LIG    1       -3.100   1.394  -1.198  0.00  0.00    -0.218 NA
ATOM     14  C   LIG    1       -5.263  -1.239  -0.232  0.00  0.00    +0.089 A 
BRANCH   9  15
ATOM     15  N   LIG    1       -6.939   2.921  -0.416  0.00  0.00    -0.343 N 
ATOM     16  H   LIG    1       -6.864   3.925  -0.301  0.00  0.00    +0.144 HD
ATOM     17  H   LIG    1       -7.493   2.429   0.270  0.00  0.00    +0.144 HD
ENDBRANCH   9  15
ENDBRANCH   4   6
BRANCH   2  18
ATOM     18  O   LIG    1        0.141  -1.394  -2.909  0.00  0.00    -0.389 OA
ATOM     19  H   LIG    1        0.082  -2.368  -2.890  0.00  0.00    +0.210 HD
ENDBRANCH   2  18
BRANCH   3  20
ATOM     20  O   LIG    1       -2.108  -2.732  -2.823  0.00  0.00    -0.387 OA
ATOM     21  H   LIG    1       -1.885  -2.554  -3.757  0.00  0.00    +0.210 HD
ENDBRANCH   3  20
BRANCH   1  22
ATOM     22  C   LIG    1        0.734  -0.767   0.177  0.00  0.00    +0.011 C 
BRANCH  22  23
ATOM     23  C   LIG    1        2.080  -0.947  -0.535  0.00  0.00    +0.038 C 
BRANCH  23  29
ATOM     24  C   LIG    1        7.137   0.690   3.561  0.00  0.00    +0.065 C 
ATOM     25  C   LIG    1        6.381   1.184   2.388  0.00  0.00    +0.040 A 
ATOM     26  N   LIG    1        5.332   0.507   1.800  0.00  0.00    -0.301 N 
ATOM     27  C   LIG    1        4.896   1.294   0.736  0.00  0.00    +0.138 A 
ATOM     28  C   LIG    1        3.808   0.804  -0.043  0.00  0.00    +0.053 A 
ATOM     29  C   LIG    1        3.225  -0.377   0.266  0.00  0.00    -0.007 A 
ATOM     30  C   LIG    1        3.727  -1.161   1.389  0.00  0.00    +0.143 A 
ATOM     31  F   LIG    1        3.143  -2.341   1.679  0.00  0.00    -0.204 F 
ATOM     32  N   LIG    1        5.599   2.400   0.634  0.00  0.00    -0.236 NA
ATOM     33  C   LIG    1        4.753  -0.715   2.126  0.00  0.00    +0.131 A 
ATOM     34  C   LIG    1        6.517   2.341   1.649  0.00  0.00    +0.134 A 
ENDBRANCH  23  29
ENDBRANCH  22  23
ENDBRANCH   1  22
TORSDOF 7