REMARK  Name = BDB055856
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.747  -1.784  -0.260  0.00  0.00    +0.093 A 
ATOM      2  N   LIG    1       -0.390  -1.150  -0.675  0.00  0.00    -0.224 NA
ATOM      3  C   LIG    1       -1.479  -1.932  -0.685  0.00  0.00    +0.181 A 
ATOM      4  C   LIG    1       -1.475  -3.273  -0.309  0.00  0.00    +0.178 A 
ATOM      5  N   LIG    1       -2.757  -3.771  -0.454  0.00  0.00    -0.289 N 
ATOM      6  H   LIG    1       -3.041  -4.718  -0.273  0.00  0.00    +0.172 HD
ATOM      7  C   LIG    1       -3.582  -2.748  -0.934  0.00  0.00    +0.330 A 
ATOM      8  O   LIG    1       -4.767  -2.861  -1.195  0.00  0.00    -0.246 OA
ATOM      9  N   LIG    1       -0.394  -3.933   0.109  0.00  0.00    -0.232 NA
ATOM     10  N   LIG    1       -2.784  -1.599  -1.054  0.00  0.00    -0.275 N 
ATOM     11  C   LIG    1        0.720  -3.145   0.127  0.00  0.00    +0.141 A 
ENDROOT
BRANCH   1  15
ATOM     12  C   LIG    1        4.297   0.581  -0.173  0.00  0.00    +0.072 A 
ATOM     13  N   LIG    1        4.398  -0.766  -0.344  0.00  0.00    -0.256 NA
ATOM     14  C   LIG    1        3.247  -1.485  -0.375  0.00  0.00    +0.121 A 
ATOM     15  C   LIG    1        1.965  -0.957  -0.231  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1        1.903   0.434  -0.065  0.00  0.00    +0.013 A 
ATOM     17  C   LIG    1        3.065   1.209  -0.034  0.00  0.00    +0.027 A 
BRANCH  12  19
ATOM     18  C   LIG    1        5.699   2.347  -1.313  0.00  0.00    +0.048 C 
ATOM     19  C   LIG    1        5.612   1.359  -0.148  0.00  0.00    +0.102 C 
ATOM     20  C   LIG    1        5.820   2.067   1.192  0.00  0.00    +0.048 C 
BRANCH  19  21
ATOM     21  O   LIG    1        6.710   0.442  -0.303  0.00  0.00    -0.383 OA
ATOM     22  H   LIG    1        6.288  -0.439  -0.399  0.00  0.00    +0.211 HD
ENDBRANCH  19  21
ENDBRANCH  12  19
ENDBRANCH   1  15
BRANCH  10  23
ATOM     23  C   LIG    1       -3.188  -0.314  -1.564  0.00  0.00    +0.132 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.809   0.642  -0.531  0.00  0.00    +0.013 C 
ATOM     25  C   LIG    1       -2.821   1.105   0.553  0.00  0.00    +0.033 C 
ATOM     26  C   LIG    1       -3.537   1.630   1.797  0.00  0.00    +0.160 C 
ATOM     27  O   LIG    1       -4.803   2.176   1.450  0.00  0.00    -0.380 OA
ATOM     28  C   LIG    1       -5.726   1.175   1.010  0.00  0.00    +0.160 C 
ATOM     29  C   LIG    1       -5.079   0.104   0.130  0.00  0.00    +0.033 C 
ENDBRANCH  23  24
ENDBRANCH  10  23
TORSDOF 5