REMARK  Name = BDB052377
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.791   1.072  -1.274  0.00  0.00    -0.027 A 
ATOM      2  C   LIG    1       -2.507  -0.086  -0.534  0.00  0.00    +0.050 A 
ATOM      3  C   LIG    1       -1.240  -0.304   0.018  0.00  0.00    +0.121 A 
ATOM      4  C   LIG    1       -0.239   0.644  -0.183  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1       -0.508   1.803  -0.916  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -1.775   2.018  -1.457  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -4.174   1.305  -1.828  0.00  0.00    +0.147 C 
BRANCH   7   9
ATOM      8  C   LIG    1       -5.848   1.172   0.007  0.00  0.00    +0.403 C 
ATOM      9  N   LIG    1       -5.066   1.918  -0.848  0.00  0.00    -0.252 N 
ATOM     10  O   LIG    1       -6.362   1.667   1.007  0.00  0.00    -0.226 OA
BRANCH   8  12
ATOM     11  C   LIG    1       -6.726  -0.928   0.553  0.00  0.00    +0.282 C 
ATOM     12  O   LIG    1       -5.947  -0.134  -0.343  0.00  0.00    -0.454 OA
ENDBRANCH   8  12
BRANCH   9  13
ATOM     13  C   LIG    1       -4.962   3.362  -0.630  0.00  0.00    +0.231 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -4.030   3.797   0.499  0.00  0.00    +0.322 C 
ATOM     15  O   LIG    1       -3.202   4.691   0.374  0.00  0.00    -0.249 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -4.271   3.203   1.691  0.00  0.00    -0.480 OA
ATOM     17  H   LIG    1       -5.062   2.614   1.674  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH   9  13
ENDBRANCH   7   9
ENDBRANCH   1   7
BRANCH   3  18
ATOM     18  O   LIG    1       -1.117  -1.478   0.709  0.00  0.00    -0.486 OA
BRANCH  18  19
ATOM     19  C   LIG    1        0.068  -1.675   1.493  0.00  0.00    +0.285 C 
BRANCH  19  20
ATOM     20  C   LIG    1        1.221  -2.213   0.703  0.00  0.00    +0.086 A 
ATOM     21  N   LIG    1        2.479  -1.655   0.884  0.00  0.00    -0.241 NA
ATOM     22  C   LIG    1        3.376  -2.244   0.113  0.00  0.00    +0.109 A 
ATOM     23  S   LIG    1        2.734  -3.505  -0.875  0.00  0.00    -0.075 S 
ATOM     24  C   LIG    1        1.180  -3.241  -0.217  0.00  0.00    +0.074 A 
BRANCH  22  25
ATOM     25  C   LIG    1        4.803  -1.859   0.070  0.00  0.00    +0.007 A 
ATOM     26  C   LIG    1        5.202  -0.673   0.709  0.00  0.00    +0.011 A 
ATOM     27  C   LIG    1        6.538  -0.256   0.702  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        7.512  -1.014   0.049  0.00  0.00    -0.050 A 
ATOM     29  C   LIG    1        8.948  -0.584   0.069  0.00  0.00    +0.044 C 
ATOM     30  C   LIG    1        7.132  -2.207  -0.574  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1        5.794  -2.621  -0.568  0.00  0.00    +0.011 A 
ENDBRANCH  22  25
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 10