REMARK  Name = BDB059990
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.829   0.789  -0.335  0.00  0.00    +0.156 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.717   1.908   0.197  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1       -2.014   2.999  -0.640  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -2.817   4.049  -0.192  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1       -3.327   4.030   1.103  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1       -3.026   2.969   1.953  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -2.220   1.917   1.508  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1   8
ATOM      8  N   LIG    1        0.603   1.204  -0.460  0.00  0.00    -0.303 NA
ATOM      9  H   LIG    1        1.134   0.358  -0.687  0.00  0.00    +0.123 HD
BRANCH   8  10
ATOM     10  C   LIG    1        1.177   1.767   0.772  0.00  0.00    +0.086 C 
BRANCH  10  11
ATOM     11  C   LIG    1        2.698   1.978   0.644  0.00  0.00    +0.050 C 
BRANCH  11  15
ATOM     12  C   LIG    1        5.025  -1.581  -0.084  0.00  0.00    +0.105 A 
ATOM     13  C   LIG    1        5.118  -0.498  -0.960  0.00  0.00    +0.029 A 
ATOM     14  C   LIG    1        4.363   0.651  -0.716  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1        3.505   0.722   0.392  0.00  0.00    -0.046 A 
ATOM     16  C   LIG    1        3.422  -0.378   1.259  0.00  0.00    +0.005 A 
ATOM     17  C   LIG    1        4.172  -1.531   1.020  0.00  0.00    +0.029 A 
BRANCH  12  18
ATOM     18  S   LIG    1        5.954  -3.049  -0.408  0.00  0.00    +0.056 S 
ATOM     19  O   LIG    1        5.354  -4.164   0.286  0.00  0.00    -0.153 OA
ATOM     20  O   LIG    1        6.290  -3.102  -1.812  0.00  0.00    -0.153 OA
BRANCH  18  21
ATOM     21  N   LIG    1        7.395  -2.733   0.396  0.00  0.00    -0.204 NA
ATOM     22  H   LIG    1        7.526  -3.411   1.146  0.00  0.00    +0.144 HD
ATOM     23  H   LIG    1        8.164  -2.702  -0.274  0.00  0.00    +0.144 HD
ENDBRANCH  18  21
ENDBRANCH  12  18
ENDBRANCH  11  15
ENDBRANCH  10  11
ENDBRANCH   8  10
ENDBRANCH   1   8
BRANCH   1  24
ATOM     24  C   LIG    1       -0.972  -0.575   0.390  0.00  0.00    +0.186 C 
ATOM     25  O   LIG    1       -0.025  -1.045   1.033  0.00  0.00    -0.290 OA
BRANCH  24  26
ATOM     26  C   LIG    1       -2.230  -1.342   0.311  0.00  0.00    +0.044 A 
ATOM     27  C   LIG    1       -3.433  -1.169  -0.466  0.00  0.00    +0.010 A 
ATOM     28  C   LIG    1       -4.303  -2.212  -0.120  0.00  0.00    +0.047 A 
ATOM     29  C   LIG    1       -5.580  -2.368  -0.675  0.00  0.00    +0.026 A 
ATOM     30  C   LIG    1       -5.999  -1.436  -1.623  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1       -5.168  -0.391  -2.002  0.00  0.00    +0.001 A 
ATOM     32  N   LIG    1       -3.665  -2.990   0.814  0.00  0.00    -0.360 N 
ATOM     33  H   LIG    1       -4.059  -3.820   1.236  0.00  0.00    +0.165 HD
ATOM     34  C   LIG    1       -3.892  -0.250  -1.437  0.00  0.00    +0.011 A 
ATOM     35  C   LIG    1       -2.427  -2.485   1.074  0.00  0.00    +0.095 A 
ENDBRANCH  24  26
ENDBRANCH   1  24
TORSDOF 9