REMARK  Name = BDB047551
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.119  -0.773  -1.194  0.00  0.00    +0.033 C 
ATOM      2  C   LIG    1       -2.925  -0.439  -0.320  0.00  0.00    -0.040 A 
ATOM      3  C   LIG    1       -1.895  -1.366  -0.531  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -0.672  -1.255   0.114  0.00  0.00    +0.049 A 
ATOM      5  C   LIG    1       -0.470  -0.202   1.008  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -1.502   0.720   1.237  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1       -2.299  -2.411  -1.519  0.00  0.00    +0.036 C 
ATOM      8  C   LIG    1       -2.731   0.606   0.570  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -3.823  -2.274  -1.457  0.00  0.00    +0.013 C 
ENDROOT
BRANCH   1  10
ATOM     10  C   LIG    1       -5.510  -0.501  -0.582  0.00  0.00    +0.105 C 
BRANCH  10  12
ATOM     11  C   LIG    1       -7.168   1.321   0.074  0.00  0.00    +0.004 C 
ATOM     12  C   LIG    1       -5.963   0.960  -0.786  0.00  0.00    +0.012 C 
ENDBRANCH  10  12
BRANCH  10  13
ATOM     13  C   LIG    1       -6.556  -1.419  -1.179  0.00  0.00    +0.308 C 
ATOM     14  O   LIG    1       -7.253  -2.207  -0.560  0.00  0.00    -0.251 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -6.688  -1.300  -2.514  0.00  0.00    -0.480 OA
ATOM     16  H   LIG    1       -7.398  -1.938  -2.739  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  10  13
ENDBRANCH   1  10
BRANCH   5  17
ATOM     17  O   LIG    1        0.764  -0.187   1.597  0.00  0.00    -0.492 OA
BRANCH  17  18
ATOM     18  C   LIG    1        1.083   0.935   2.420  0.00  0.00    +0.235 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.523   0.806   2.918  0.00  0.00    +0.100 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.544   1.000   1.851  0.00  0.00    +0.086 A 
ATOM     21  C   LIG    1        3.850   2.124   1.111  0.00  0.00    +0.126 A 
ATOM     22  C   LIG    1        3.338   3.503   1.043  0.00  0.00    +0.088 C 
ATOM     23  O   LIG    1        4.871   1.804   0.262  0.00  0.00    -0.440 OA
ATOM     24  C   LIG    1        5.146   0.489   0.538  0.00  0.00    +0.228 A 
ATOM     25  N   LIG    1        4.389  -0.026   1.489  0.00  0.00    -0.214 NA
BRANCH  24  26
ATOM     26  C   LIG    1        6.216  -0.140  -0.232  0.00  0.00    +0.037 A 
ATOM     27  C   LIG    1        6.538  -1.485   0.002  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1        7.557  -2.115  -0.719  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        8.267  -1.405  -1.684  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        7.960  -0.068  -1.930  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        6.941   0.561  -1.208  0.00  0.00    +0.013 A 
ENDBRANCH  24  26
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   5  17
TORSDOF 9