REMARK  Name = BDB035056
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.121   2.297   0.344  0.00  0.00    -0.196 N 
ATOM      2  H   LIG    1        0.250   2.313   1.293  0.00  0.00    +0.175 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        0.346   1.312  -0.514  0.00  0.00    +0.192 A 
ATOM      4  C   LIG    1        1.438   0.458  -0.210  0.00  0.00    +0.106 A 
ATOM      5  C   LIG    1        1.544  -0.349  -1.325  0.00  0.00    +0.173 A 
ATOM      6  C   LIG    1        2.492  -1.354  -1.487  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1        3.388  -1.545  -0.422  0.00  0.00    -0.019 A 
ATOM      8  C   LIG    1        3.295  -0.739   0.734  0.00  0.00    +0.052 A 
ATOM      9  O   LIG    1        0.583  -0.006  -2.223  0.00  0.00    -0.353 OA
ATOM     10  C   LIG    1        2.332   0.278   0.862  0.00  0.00    +0.135 A 
ATOM     11  N   LIG    1       -0.175   1.034  -1.713  0.00  0.00    -0.060 NA
BRANCH  10  12
ATOM     12  O   LIG    1        2.183   1.094   1.951  0.00  0.00    -0.494 OA
ATOM     13  C   LIG    1        3.240   1.088   2.905  0.00  0.00    +0.277 C 
ENDBRANCH  10  12
BRANCH   7  14
ATOM     14  C   LIG    1        4.448  -2.621  -0.510  0.00  0.00    +0.178 C 
BRANCH  14  15
ATOM     15  N   LIG    1        5.788  -2.051  -0.556  0.00  0.00    -0.267 N 
ATOM     16  N   LIG    1        6.526  -1.965   0.572  0.00  0.00    -0.179 NA
ATOM     17  C   LIG    1        7.673  -1.422   0.157  0.00  0.00    +0.134 A 
ATOM     18  C   LIG    1        7.677  -1.166  -1.226  0.00  0.00    +0.041 A 
ATOM     19  C   LIG    1        6.444  -1.589  -1.663  0.00  0.00    +0.108 A 
ENDBRANCH  14  15
ENDBRANCH   7  14
ENDBRANCH   1   3
BRANCH   1  20
ATOM     20  S   LIG    1       -1.578   3.094   0.165  0.00  0.00    +0.081 S 
ATOM     21  O   LIG    1       -1.818   3.779   1.422  0.00  0.00    -0.150 OA
ATOM     22  O   LIG    1       -1.501   3.846  -1.070  0.00  0.00    -0.150 OA
BRANCH  20  26
ATOM     23  C   LIG    1       -4.646  -0.296  -0.103  0.00  0.00    +0.032 A 
ATOM     24  C   LIG    1       -4.690   0.751  -1.024  0.00  0.00    +0.064 A 
ATOM     25  C   LIG    1       -3.753   1.791  -0.959  0.00  0.00    +0.151 A 
ATOM     26  C   LIG    1       -2.787   1.803   0.052  0.00  0.00    +0.191 A 
ATOM     27  C   LIG    1       -2.782   0.775   1.006  0.00  0.00    +0.151 A 
ATOM     28  C   LIG    1       -3.689  -0.287   0.910  0.00  0.00    +0.064 A 
BRANCH  23  31
ATOM     29  C   LIG    1       -7.351  -3.358  -0.351  0.00  0.00    +0.106 C 
ATOM     30  C   LIG    1       -6.383  -2.266  -0.261  0.00  0.00    -0.100 C 
ATOM     31  C   LIG    1       -5.589  -1.367  -0.189  0.00  0.00    -0.066 C 
ENDBRANCH  23  31
BRANCH  25  32
ATOM     32  O   LIG    1       -3.899   2.834  -1.830  0.00  0.00    -0.493 OA
ATOM     33  C   LIG    1       -3.458   2.480  -3.143  0.00  0.00    +0.277 C 
ENDBRANCH  25  32
BRANCH  27  34
ATOM     34  O   LIG    1       -1.852   0.753   2.015  0.00  0.00    -0.493 OA
ATOM     35  C   LIG    1       -2.464   1.021   3.280  0.00  0.00    +0.277 C 
ENDBRANCH  27  34
ENDBRANCH  20  26
ENDBRANCH   1  20
TORSDOF 9