REMARK  Name = BDB057900
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.388  -0.925  -1.626  0.00  0.00    +0.131 A 
ATOM      2  N   LIG    1       -2.888  -2.165  -1.925  0.00  0.00    -0.128 NA
ATOM      3  N   LIG    1       -1.967  -3.068  -1.614  0.00  0.00    -0.065 NA
ATOM      4  N   LIG    1       -0.893  -2.408  -1.136  0.00  0.00    -0.246 N 
ATOM      5  C   LIG    1       -1.118  -1.065  -1.109  0.00  0.00    +0.140 A 
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1        0.261  -3.172  -0.703  0.00  0.00    +0.128 C 
ATOM      7  C   LIG    1        1.581  -2.401  -0.719  0.00  0.00    +0.134 C 
ATOM      8  N   LIG    1        1.719  -1.857   0.626  0.00  0.00    -0.299 N 
ATOM      9  C   LIG    1        2.688  -0.916   0.920  0.00  0.00    +0.220 C 
ATOM     10  O   LIG    1        3.485  -0.544   0.060  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1        0.742  -2.434   1.536  0.00  0.00    +0.110 C 
ATOM     12  C   LIG    1        0.143  -3.603   0.764  0.00  0.00    +0.047 C 
BRANCH   9  13
ATOM     13  C   LIG    1        2.715  -0.412   2.359  0.00  0.00    +0.131 C 
BRANCH  13  14
ATOM     14  C   LIG    1        3.485   0.873   2.557  0.00  0.00    -0.039 A 
ATOM     15  C   LIG    1        2.825   2.110   2.518  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1        3.535   3.297   2.704  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        4.911   3.261   2.921  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        5.579   2.038   2.948  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        4.870   0.849   2.764  0.00  0.00    +0.004 A 
ENDBRANCH  13  14
ENDBRANCH   9  13
ENDBRANCH   4   6
BRANCH   1  22
ATOM     20  C   LIG    1       -4.968   1.569  -2.617  0.00  0.00    +0.062 A 
ATOM     21  C   LIG    1       -4.329   0.341  -2.467  0.00  0.00    +0.045 A 
ATOM     22  C   LIG    1       -3.101   0.322  -1.824  0.00  0.00    +0.093 A 
ATOM     23  N   LIG    1       -2.507   1.450  -1.350  0.00  0.00    -0.253 NA
ATOM     24  C   LIG    1       -3.141   2.627  -1.538  0.00  0.00    +0.112 A 
ATOM     25  C   LIG    1       -4.368   2.741  -2.160  0.00  0.00    +0.035 A 
BRANCH  20  27
ATOM     26  O   LIG    1       -6.494   1.001  -4.340  0.00  0.00    -0.245 OA
ATOM     27  C   LIG    1       -6.270   1.609  -3.311  0.00  0.00    +0.337 C 
BRANCH  27  28
ATOM     28  O   LIG    1       -7.183   2.362  -2.662  0.00  0.00    -0.477 OA
ATOM     29  H   LIG    1       -6.927   2.635  -1.760  0.00  0.00    +0.295 HD
ENDBRANCH  27  28
ENDBRANCH  20  27
ENDBRANCH   1  22
TORSDOF 6