REMARK  Name = BDB036440
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.286   1.092  -1.033  0.00  0.00    +0.142 A 
ATOM      2  C   LIG    1        2.279   0.198  -0.554  0.00  0.00    +0.078 A 
ATOM      3  C   LIG    1        2.069  -1.183  -0.655  0.00  0.00    +0.076 A 
ATOM      4  C   LIG    1        0.869  -1.605  -1.222  0.00  0.00    +0.171 A 
ATOM      5  C   LIG    1       -0.131  -0.767  -1.683  0.00  0.00    +0.068 A 
ATOM      6  C   LIG    1       -1.133  -1.667  -2.139  0.00  0.00    +0.188 A 
ATOM      7  N   LIG    1       -0.746  -2.941  -2.001  0.00  0.00    -0.061 NA
ATOM      8  O   LIG    1        0.503  -2.898  -1.414  0.00  0.00    -0.353 OA
ATOM      9  C   LIG    1        0.089   0.621  -1.603  0.00  0.00    +0.062 A 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1        0.597   3.374  -1.242  0.00  0.00    +0.277 C 
ATOM     11  O   LIG    1        1.607   2.428  -0.908  0.00  0.00    -0.493 OA
ENDBRANCH   1  11
BRANCH   2  12
ATOM     12  N   LIG    1        3.436   0.752   0.046  0.00  0.00    -0.295 N 
ATOM     13  H   LIG    1        3.555   1.722  -0.245  0.00  0.00    +0.154 HD
BRANCH  12  14
ATOM     14  C   LIG    1        4.423   0.272   0.826  0.00  0.00    +0.145 A 
ATOM     15  N   LIG    1        5.574   0.929   0.996  0.00  0.00    -0.156 NA
ATOM     16  N   LIG    1        6.281   0.159   1.838  0.00  0.00    -0.273 N 
ATOM     17  C   LIG    1        7.610   0.567   2.223  0.00  0.00    +0.172 C 
ATOM     18  C   LIG    1        5.610  -0.949   2.254  0.00  0.00    +0.110 A 
ATOM     19  C   LIG    1        4.390  -0.898   1.621  0.00  0.00    +0.065 A 
ENDBRANCH  12  14
ENDBRANCH   2  12
BRANCH   6  20
ATOM     20  N   LIG    1       -2.391  -1.436  -2.684  0.00  0.00    -0.196 N 
ATOM     21  H   LIG    1       -2.921  -2.287  -2.869  0.00  0.00    +0.175 HD
BRANCH  20  22
ATOM     22  S   LIG    1       -3.413  -0.186  -2.235  0.00  0.00    +0.081 S 
ATOM     23  O   LIG    1       -2.861   1.030  -2.794  0.00  0.00    -0.150 OA
ATOM     24  O   LIG    1       -4.756  -0.592  -2.599  0.00  0.00    -0.150 OA
BRANCH  22  25
ATOM     25  C   LIG    1       -3.351  -0.146  -0.459  0.00  0.00    +0.191 A 
ATOM     26  C   LIG    1       -3.106   1.050   0.227  0.00  0.00    +0.150 A 
ATOM     27  C   LIG    1       -2.993   1.050   1.619  0.00  0.00    +0.048 A 
ATOM     28  C   LIG    1       -3.177  -0.128   2.334  0.00  0.00    +0.007 A 
ATOM     29  C   LIG    1       -3.465  -1.316   1.659  0.00  0.00    +0.048 A 
ATOM     30  C   LIG    1       -3.551  -1.340   0.261  0.00  0.00    +0.150 A 
BRANCH  26  31
ATOM     31  O   LIG    1       -2.896   2.245  -0.402  0.00  0.00    -0.493 OA
ATOM     32  C   LIG    1       -4.122   2.972  -0.521  0.00  0.00    +0.277 C 
ENDBRANCH  26  31
BRANCH  30  33
ATOM     33  O   LIG    1       -3.834  -2.472  -0.457  0.00  0.00    -0.493 OA
ATOM     34  C   LIG    1       -3.799  -3.721   0.226  0.00  0.00    +0.277 C 
ENDBRANCH  30  33
ENDBRANCH  22  25
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 8