REMARK  Name = BDB049373
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.040  -0.826   1.243  0.00  0.00    +0.149 A 
ATOM      2  N   LIG    1       -0.662   0.131   0.466  0.00  0.00    -0.324 N 
ATOM      3  C   LIG    1       -2.015  -0.128   0.464  0.00  0.00    +0.069 A 
ATOM      4  C   LIG    1       -2.145  -1.269   1.248  0.00  0.00    +0.090 A 
ATOM      5  C   LIG    1       -3.413  -1.832   1.454  0.00  0.00    +0.038 A 
ATOM      6  C   LIG    1       -4.529  -1.224   0.860  0.00  0.00    -0.011 A 
ATOM      7  C   LIG    1       -4.372  -0.068   0.082  0.00  0.00    +0.011 A 
ATOM      8  C   LIG    1       -3.111   0.504  -0.134  0.00  0.00    +0.028 A 
ATOM      9  N   LIG    1       -0.927  -1.679   1.724  0.00  0.00    -0.229 NA
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -5.846  -1.790   1.068  0.00  0.00    +0.047 A 
ATOM     11  C   LIG    1       -6.685  -2.228   0.066  0.00  0.00    +0.142 A 
ATOM     12  C   LIG    1       -6.602  -2.296  -1.406  0.00  0.00    +0.090 C 
ATOM     13  O   LIG    1       -7.833  -2.702   0.620  0.00  0.00    -0.359 OA
ATOM     14  N   LIG    1       -7.765  -2.594   1.996  0.00  0.00    -0.083 NA
ATOM     15  C   LIG    1       -6.570  -2.051   2.261  0.00  0.00    +0.088 A 
ATOM     16  C   LIG    1       -6.169  -1.789   3.663  0.00  0.00    +0.070 C 
ENDBRANCH   6  10
BRANCH   1  17
ATOM     17  C   LIG    1        1.429  -0.866   1.526  0.00  0.00    +0.303 C 
BRANCH  17  18
ATOM     18  O   LIG    1        2.095  -0.963   0.269  0.00  0.00    -0.484 OA
BRANCH  18  22
ATOM     19  C   LIG    1        6.260  -1.102   0.028  0.00  0.00    +0.120 A 
ATOM     20  C   LIG    1        5.672  -0.907   1.279  0.00  0.00    +0.049 A 
ATOM     21  C   LIG    1        4.276  -0.862   1.409  0.00  0.00    +0.049 A 
ATOM     22  C   LIG    1        3.460  -1.008   0.287  0.00  0.00    +0.121 A 
ATOM     23  C   LIG    1        4.050  -1.206  -0.963  0.00  0.00    +0.049 A 
ATOM     24  C   LIG    1        5.440  -1.255  -1.091  0.00  0.00    +0.049 A 
BRANCH  19  26
ATOM     25  C   LIG    1        8.482  -0.939   0.859  0.00  0.00    +0.277 C 
ATOM     26  O   LIG    1        7.600  -1.163  -0.234  0.00  0.00    -0.495 OA
ENDBRANCH  19  26
ENDBRANCH  18  22
ENDBRANCH  17  18
ENDBRANCH   1  17
BRANCH   2  27
ATOM     27  C   LIG    1       -0.025   1.240  -0.230  0.00  0.00    +0.139 C 
BRANCH  27  28
ATOM     28  C   LIG    1        0.188   0.941  -1.724  0.00  0.00    +0.106 C 
BRANCH  28  29
ATOM     29  N   LIG    1        0.861   1.977  -2.517  0.00  0.00    -0.296 NA
ATOM     30  C   LIG    1        2.252   2.257  -2.124  0.00  0.00    +0.112 C 
ATOM     31  C   LIG    1        2.454   3.664  -1.538  0.00  0.00    +0.175 C 
ATOM     32  O   LIG    1        2.006   4.720  -2.398  0.00  0.00    -0.377 OA
ATOM     33  C   LIG    1        0.949   4.326  -3.284  0.00  0.00    +0.175 C 
ATOM     34  C   LIG    1        0.075   3.207  -2.701  0.00  0.00    +0.112 C 
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH   2  27
TORSDOF 8