REMARK  Name = BDB000469
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.509  -2.727  -0.528  0.00  0.00    +0.082 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.986  -2.438  -0.478  0.00  0.00    +0.232 C 
BRANCH   2   3
ATOM      3  O   LIG    1       -1.171  -1.049  -0.207  0.00  0.00    -0.492 OA
BRANCH   3   7
ATOM      4  C   LIG    1       -5.024   0.614   0.072  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1       -3.847   1.365   0.232  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1       -2.584   0.767   0.129  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1       -2.459  -0.597  -0.132  0.00  0.00    +0.121 A 
ATOM      8  C   LIG    1       -3.610  -1.363  -0.283  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1       -4.873  -0.762  -0.180  0.00  0.00    +0.013 A 
BRANCH   4  13
ATOM     10  C   LIG    1       -9.669  -0.051   1.236  0.00  0.00    +0.065 C 
ATOM     11  C   LIG    1       -8.612   0.887   0.734  0.00  0.00    +0.039 A 
ATOM     12  N   LIG    1       -7.355   0.396   0.615  0.00  0.00    -0.252 NA
ATOM     13  C   LIG    1       -6.370   1.220   0.170  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -6.636   2.544  -0.177  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1       -7.933   3.036  -0.053  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -8.937   2.198   0.412  0.00  0.00    +0.023 A 
ENDBRANCH   4  13
ENDBRANCH   3   7
ENDBRANCH   2   3
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1        1.199  -1.967  -1.659  0.00  0.00    +0.232 C 
BRANCH  17  18
ATOM     18  O   LIG    1        2.586  -2.304  -1.713  0.00  0.00    -0.492 OA
BRANCH  18  19
ATOM     19  C   LIG    1        3.471  -1.561  -0.979  0.00  0.00    +0.121 A 
ATOM     20  C   LIG    1        4.814  -1.885  -1.202  0.00  0.00    +0.049 A 
ATOM     21  C   LIG    1        5.796  -1.202  -0.503  0.00  0.00    -0.040 A 
ATOM     22  C   LIG    1        7.279  -1.372  -0.602  0.00  0.00    +0.036 C 
ATOM     23  C   LIG    1        7.736  -0.680   0.691  0.00  0.00    +0.013 C 
ATOM     24  C   LIG    1        6.701   0.428   1.001  0.00  0.00    +0.030 C 
ATOM     25  C   LIG    1        5.465  -0.190   0.401  0.00  0.00    -0.040 A 
ATOM     26  C   LIG    1        4.141   0.136   0.640  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1        3.141  -0.558  -0.054  0.00  0.00    +0.046 A 
BRANCH  24  28
ATOM     28  C   LIG    1        7.080   1.754   0.336  0.00  0.00    +0.128 C 
BRANCH  28  29
ATOM     29  C   LIG    1        6.228   2.896   0.819  0.00  0.00    +0.305 C 
ATOM     30  O   LIG    1        5.591   2.963   1.856  0.00  0.00    -0.251 OA
BRANCH  29  31
ATOM     31  O   LIG    1        6.268   3.947  -0.025  0.00  0.00    -0.481 OA
ATOM     32  H   LIG    1        5.694   4.617   0.401  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH  24  28
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 10