REMARK  Name = BDB059960
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.534   0.200   1.303  0.00  0.00    +0.220 C 
ATOM      2  N   LIG    1       -1.020   0.835   0.177  0.00  0.00    -0.292 N 
ATOM      3  C   LIG    1        0.323   0.469  -0.344  0.00  0.00    +0.124 C 
ATOM      4  C   LIG    1        1.294   1.583   0.041  0.00  0.00    -0.019 A 
ATOM      5  C   LIG    1        0.911   2.896  -0.338  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        1.774   3.963  -0.090  0.00  0.00    +0.120 A 
ATOM      7  C   LIG    1        2.968   3.760   0.594  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1        3.320   2.480   1.018  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1       -0.455   3.037  -0.972  0.00  0.00    +0.058 C 
ATOM     10  C   LIG    1        2.489   1.393   0.742  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1       -1.484   2.182  -0.204  0.00  0.00    +0.113 C 
ATOM     12  O   LIG    1       -0.871  -0.589   1.974  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1       -3.925  -0.629   0.977  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1       -3.023   0.432   1.636  0.00  0.00    +0.089 C 
ATOM     15  C   LIG    1       -3.252   0.484   3.158  0.00  0.00    +0.013 C 
ATOM     16  C   LIG    1       -3.260  -0.879   3.852  0.00  0.00    +0.001 C 
ATOM     17  C   LIG    1       -4.157  -1.889   3.148  0.00  0.00    +0.001 C 
ATOM     18  C   LIG    1       -3.827  -1.998   1.663  0.00  0.00    +0.015 C 
BRANCH  13  20
ATOM     19  O   LIG    1       -2.900  -1.568  -1.019  0.00  0.00    -0.251 OA
ATOM     20  C   LIG    1       -3.654  -0.755  -0.511  0.00  0.00    +0.309 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -4.333   0.155  -1.248  0.00  0.00    -0.480 OA
ATOM     22  H   LIG    1       -4.946   0.717  -0.739  0.00  0.00    +0.295 HD
ENDBRANCH  20  21
ENDBRANCH  13  20
ENDBRANCH   1  14
BRANCH   6  23
ATOM     23  O   LIG    1        1.506   5.240  -0.485  0.00  0.00    -0.506 OA
ATOM     24  H   LIG    1        0.930   5.204  -1.265  0.00  0.00    +0.292 HD
ENDBRANCH   6  23
BRANCH   3  25
ATOM     25  C   LIG    1        0.785  -1.004  -0.155  0.00  0.00    +0.144 C 
BRANCH  25  26
ATOM     26  N   LIG    1        1.874  -1.401  -1.049  0.00  0.00    -0.232 N 
ATOM     27  C   LIG    1        3.076  -1.898  -0.620  0.00  0.00    +0.254 C 
ATOM     28  O   LIG    1        3.493  -2.052   0.512  0.00  0.00    -0.270 OA
ATOM     29  C   LIG    1        3.840  -2.241  -1.816  0.00  0.00    +0.049 A 
ATOM     30  C   LIG    1        3.050  -1.954  -2.912  0.00  0.00    +0.049 A 
ATOM     31  C   LIG    1        3.485  -2.172  -4.205  0.00  0.00    +0.014 A 
ATOM     32  C   LIG    1        4.771  -2.698  -4.366  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1        5.578  -2.991  -3.247  0.00  0.00    +0.001 A 
ATOM     34  C   LIG    1        5.112  -2.762  -1.948  0.00  0.00    +0.014 A 
ATOM     35  C   LIG    1        1.782  -1.426  -2.415  0.00  0.00    +0.254 C 
ATOM     36  O   LIG    1        0.866  -1.084  -3.137  0.00  0.00    -0.270 OA
ENDBRANCH  25  26
ENDBRANCH   3  25
TORSDOF 6