REMARK  Name = BDB059121
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.189   1.640   1.432  0.00  0.00    +0.252 C 
ATOM      2  C   LIG    1       -1.895   0.880   2.732  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1       -0.441   0.484   2.538  0.00  0.00    +0.179 C 
ATOM      4  C   LIG    1        0.109   1.735   1.858  0.00  0.00    +0.189 C 
ATOM      5  O   LIG    1       -0.925   2.181   0.958  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   1  10
ATOM      6  C   LIG    1       -5.538  -1.040  -0.834  0.00  0.00    +0.129 A 
ATOM      7  C   LIG    1       -4.270  -0.458  -0.699  0.00  0.00    +0.058 A 
ATOM      8  C   LIG    1       -3.065  -0.427  -1.452  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1       -2.157   0.344  -0.757  0.00  0.00    +0.091 A 
ATOM     10  N   LIG    1       -2.766   0.789   0.393  0.00  0.00    -0.303 N 
ATOM     11  C   LIG    1       -4.054   0.308   0.438  0.00  0.00    +0.148 A 
ATOM     12  N   LIG    1       -4.937   0.538   1.423  0.00  0.00    -0.218 NA
ATOM     13  C   LIG    1       -6.114  -0.065   1.182  0.00  0.00    +0.225 A 
ATOM     14  N   LIG    1       -6.455  -0.836   0.131  0.00  0.00    -0.220 NA
BRANCH   6  15
ATOM     15  N   LIG    1       -5.907  -1.842  -1.904  0.00  0.00    -0.343 N 
ATOM     16  H   LIG    1       -6.737  -2.379  -1.680  0.00  0.00    +0.144 HD
ATOM     17  H   LIG    1       -5.149  -2.341  -2.346  0.00  0.00    +0.144 HD
ENDBRANCH   6  15
ENDBRANCH   1  10
BRANCH   2  18
ATOM     18  O   LIG    1       -1.995   1.748   3.876  0.00  0.00    -0.385 OA
ATOM     19  H   LIG    1       -1.423   1.335   4.555  0.00  0.00    +0.210 HD
ENDBRANCH   2  18
BRANCH   3  20
ATOM     20  O   LIG    1        0.181   0.199   3.788  0.00  0.00    -0.386 OA
ATOM     21  H   LIG    1        1.035  -0.228   3.593  0.00  0.00    +0.210 HD
ENDBRANCH   3  20
BRANCH   4  22
ATOM     22  C   LIG    1        1.425   1.516   1.109  0.00  0.00    +0.263 C 
BRANCH  22  23
ATOM     23  O   LIG    1        1.313   0.366   0.266  0.00  0.00    -0.489 OA
BRANCH  23  24
ATOM     24  C   LIG    1        2.398   0.041  -0.500  0.00  0.00    +0.123 A 
ATOM     25  C   LIG    1        3.633   0.694  -0.495  0.00  0.00    +0.074 A 
ATOM     26  C   LIG    1        4.679   0.280  -1.310  0.00  0.00    +0.074 A 
ATOM     27  C   LIG    1        4.476  -0.827  -2.160  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        5.538  -1.235  -2.978  0.00  0.00    +0.011 A 
ATOM     29  C   LIG    1        6.746  -0.550  -2.933  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1        6.850   0.521  -2.067  0.00  0.00    +0.111 A 
ATOM     31  C   LIG    1        3.239  -1.488  -2.171  0.00  0.00    +0.013 A 
ATOM     32  N   LIG    1        5.849   0.942  -1.263  0.00  0.00    -0.255 NA
ATOM     33  C   LIG    1        2.208  -1.052  -1.342  0.00  0.00    +0.046 A 
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 7