REMARK  Name = BDB014559
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.640  -0.536   2.478  0.00  0.00    +0.251 C 
ATOM      2  N   LIG    1        0.711  -0.339   1.476  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1        1.043  -0.019   0.570  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        1.412  -1.228   3.468  0.00  0.00    -0.272 OA
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1        2.974   0.187   2.251  0.00  0.00    +0.324 C 
BRANCH   5   6
ATOM      6  O   LIG    1        4.138  -0.621   2.414  0.00  0.00    -0.482 OA
BRANCH   6   8
ATOM      7  C   LIG    1        4.786  -1.186   0.128  0.00  0.00    +0.043 A 
ATOM      8  C   LIG    1        4.260  -1.524   1.387  0.00  0.00    +0.130 A 
ATOM      9  C   LIG    1        3.863  -2.837   1.664  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1        3.936  -3.816   0.675  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1        4.413  -3.487  -0.591  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.833  -2.182  -0.862  0.00  0.00    +0.014 A 
BRANCH   7  16
ATOM     13  C   LIG    1        6.997   3.243   0.293  0.00  0.00    +0.150 C 
ATOM     14  N   LIG    1        6.265   2.080  -0.139  0.00  0.00    -0.339 N 
ATOM     15  C   LIG    1        5.993   0.980   0.623  0.00  0.00    +0.115 A 
ATOM     16  C   LIG    1        5.287   0.135  -0.207  0.00  0.00    +0.092 A 
ATOM     17  N   LIG    1        5.139   0.705  -1.453  0.00  0.00    -0.236 NA
ATOM     18  C   LIG    1        5.735   1.874  -1.377  0.00  0.00    +0.199 A 
ENDBRANCH   7  16
ENDBRANCH   6   8
ENDBRANCH   5   6
ENDBRANCH   1   5
BRANCH   2  19
ATOM     19  C   LIG    1       -0.538  -1.078   1.466  0.00  0.00    +0.136 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -1.525  -0.476   0.454  0.00  0.00    +0.145 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -0.897  -0.481  -0.840  0.00  0.00    -0.389 OA
ATOM     22  H   LIG    1       -0.840  -1.406  -1.139  0.00  0.00    +0.210 HD
ENDBRANCH  20  21
BRANCH  20  23
ATOM     23  C   LIG    1       -2.848  -1.283   0.445  0.00  0.00    +0.117 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -4.003  -0.728  -0.281  0.00  0.00    -0.295 NA
ATOM     25  C   LIG    1       -4.572   0.454   0.388  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1       -5.750   1.056  -0.352  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1       -5.954   0.794  -1.718  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1       -7.032   1.387  -2.388  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -7.889   2.255  -1.713  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -7.679   2.533  -0.364  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -5.051  -0.174  -2.441  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1       -6.614   1.939   0.313  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1       -3.734  -0.425  -1.691  0.00  0.00    +0.089 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH   2  19
TORSDOF 9