REMARK  Name = BDB029261
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.815  -0.275   1.741  0.00  0.00    +0.252 C 
ATOM      2  C   LIG    1        0.213   1.120   1.568  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1       -0.901   0.873   0.565  0.00  0.00    +0.179 C 
ATOM      4  C   LIG    1       -1.387  -0.520   0.968  0.00  0.00    +0.185 C 
ATOM      5  O   LIG    1       -0.205  -1.241   1.404  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   1  11
ATOM      6  N   LIG    1        6.333  -0.226  -0.636  0.00  0.00    -0.066 NA
ATOM      7  C   LIG    1        5.486   0.132   0.271  0.00  0.00    +0.182 A 
ATOM      8  C   LIG    1        4.110  -0.319   0.209  0.00  0.00    +0.064 A 
ATOM      9  C   LIG    1        3.398  -1.134  -0.702  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1        2.098  -1.212  -0.244  0.00  0.00    +0.091 A 
ATOM     11  N   LIG    1        2.000  -0.480   0.916  0.00  0.00    -0.303 N 
ATOM     12  C   LIG    1        3.222   0.080   1.199  0.00  0.00    +0.148 A 
ATOM     13  N   LIG    1        3.463   0.887   2.275  0.00  0.00    -0.220 NA
ATOM     14  C   LIG    1        4.708   1.268   2.295  0.00  0.00    +0.200 A 
ATOM     15  N   LIG    1        5.670   0.930   1.374  0.00  0.00    -0.328 N 
ATOM     16  H   LIG    1        6.612   1.279   1.479  0.00  0.00    +0.168 HD
BRANCH   6  18
ATOM     17  C   LIG    1        8.497  -0.083  -1.377  0.00  0.00    +0.313 C 
ATOM     18  O   LIG    1        7.593   0.336  -0.359  0.00  0.00    -0.395 OA
ENDBRANCH   6  18
ENDBRANCH   1  11
BRANCH   2  19
ATOM     19  O   LIG    1       -0.377   1.599   2.798  0.00  0.00    -0.385 OA
ATOM     20  H   LIG    1        0.367   1.772   3.406  0.00  0.00    +0.210 HD
ENDBRANCH   2  19
BRANCH   3  21
ATOM     21  O   LIG    1       -1.904   1.879   0.672  0.00  0.00    -0.386 OA
ATOM     22  H   LIG    1       -1.933   2.115   1.623  0.00  0.00    +0.210 HD
ENDBRANCH   3  21
BRANCH   4  23
ATOM     23  C   LIG    1       -2.088  -1.331  -0.143  0.00  0.00    +0.176 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.556  -0.996  -0.322  0.00  0.00    -0.016 A 
ATOM     25  C   LIG    1       -3.958   0.141  -1.044  0.00  0.00    +0.010 A 
ATOM     26  C   LIG    1       -5.307   0.383  -1.163  0.00  0.00    -0.044 A 
ATOM     27  C   LIG    1       -6.327   1.324  -1.732  0.00  0.00    +0.040 C 
ATOM     28  C   LIG    1       -7.402   0.381  -1.097  0.00  0.00    +0.040 C 
ATOM     29  C   LIG    1       -6.250  -0.442  -0.603  0.00  0.00    -0.044 A 
ATOM     30  C   LIG    1       -5.905  -1.561   0.114  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -4.541  -1.837   0.255  0.00  0.00    +0.006 A 
ENDBRANCH  23  24
BRANCH  23  32
ATOM     32  O   LIG    1       -1.394  -1.223  -1.392  0.00  0.00    -0.385 OA
ATOM     33  H   LIG    1       -2.021  -1.494  -2.086  0.00  0.00    +0.210 HD
ENDBRANCH  23  32
ENDBRANCH   4  23
TORSDOF 7