REMARK  Name = BDB027859
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.201  -0.714   0.413  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -2.827  -1.294   1.528  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1       -4.046  -1.922   1.269  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1       -4.671  -2.510   2.359  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1       -4.209  -2.521   3.637  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1       -3.041  -1.892   3.854  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1       -4.602  -1.965   0.050  0.00  0.00    -0.226 NA
ATOM      8  C   LIG    1       -3.944  -1.354  -0.948  0.00  0.00    +0.162 A 
ATOM      9  C   LIG    1       -2.322  -1.272   2.850  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1       -2.763  -0.729  -0.807  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1       -4.554  -1.377  -2.290  0.00  0.00    +0.022 A 
ATOM     12  C   LIG    1       -5.767  -2.037  -2.535  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1       -6.302  -2.032  -3.814  0.00  0.00    +0.111 A 
ATOM     14  N   LIG    1       -5.722  -1.420  -4.866  0.00  0.00    -0.263 NA
ATOM     15  C   LIG    1       -4.558  -0.786  -4.627  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1       -3.948  -0.738  -3.383  0.00  0.00    +0.031 A 
ENDBRANCH   8  11
BRANCH   1  17
ATOM     17  N   LIG    1       -0.964  -0.060   0.578  0.00  0.00    -0.326 N 
ATOM     18  H   LIG    1       -0.306  -0.668   1.058  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -0.382   0.518  -0.641  0.00  0.00    +0.128 C 
BRANCH  19  21
ATOM     20  C   LIG    1        1.623   1.622  -1.673  0.00  0.00    +0.033 C 
ATOM     21  C   LIG    1        1.057   1.063  -0.356  0.00  0.00    +0.047 C 
ATOM     22  C   LIG    1        0.962   2.193   0.688  0.00  0.00    +0.033 C 
BRANCH  21  23
ATOM     23  N   LIG    1        1.894  -0.063   0.120  0.00  0.00    -0.275 N 
ATOM     24  H   LIG    1        1.595  -1.001  -0.114  0.00  0.00    +0.153 HD
ATOM     25  C   LIG    1        3.196  -0.059   0.521  0.00  0.00    +0.401 C 
ATOM     26  O   LIG    1        3.780  -1.114   0.729  0.00  0.00    -0.226 OA
BRANCH  25  27
ATOM     27  O   LIG    1        3.719   1.177   0.644  0.00  0.00    -0.445 OA
BRANCH  27  28
ATOM     28  C   LIG    1        5.096   1.370   1.057  0.00  0.00    +0.107 C 
ATOM     29  C   LIG    1        5.333   0.833   2.473  0.00  0.00    +0.055 C 
ATOM     30  C   LIG    1        5.287   2.894   1.070  0.00  0.00    +0.055 C 
ATOM     31  C   LIG    1        6.071   0.763   0.042  0.00  0.00    +0.055 C 
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH  21  23
ENDBRANCH  19  21
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 7