REMARK  Name = BDB048409
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.409   0.092  -1.352  0.00  0.00    +0.000 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.002  -0.392  -1.712  0.00  0.00    -0.000 C 
BRANCH   2   3
ATOM      3  C   LIG    1        0.219  -0.935  -0.515  0.00  0.00    -0.000 C 
BRANCH   3   4
ATOM      4  C   LIG    1       -1.216  -1.296  -0.908  0.00  0.00    -0.000 C 
BRANCH   4   5
ATOM      5  C   LIG    1       -1.995  -1.851   0.288  0.00  0.00    -0.000 C 
BRANCH   5   6
ATOM      6  C   LIG    1       -3.447  -2.198  -0.060  0.00  0.00    -0.000 C 
BRANCH   6   7
ATOM      7  C   LIG    1       -4.479  -1.152   0.381  0.00  0.00    -0.000 C 
BRANCH   7   8
ATOM      8  C   LIG    1       -4.330   0.202  -0.308  0.00  0.00    -0.000 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -5.347   1.256   0.150  0.00  0.00    -0.000 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -6.807   0.930  -0.184  0.00  0.00    -0.000 C 
BRANCH  10  11
ATOM     11  C   LIG    1       -7.619   0.308   0.959  0.00  0.00    -0.000 C 
BRANCH  11  13
ATOM     12  C   LIG    1       -8.458   2.517   1.937  0.00  0.00    +0.004 C 
ATOM     13  C   LIG    1       -7.795   1.176   2.208  0.00  0.00    -0.003 C 
ENDBRANCH  11  13
ENDBRANCH  10  11
ENDBRANCH   9  10
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   6   7
ENDBRANCH   5   6
ENDBRANCH   4   5
ENDBRANCH   3   4
ENDBRANCH   2   3
ENDBRANCH   1   2
BRANCH   1  14
ATOM     14  C   LIG    1        3.341  -1.033  -0.896  0.00  0.00    +0.000 C 
BRANCH  14  15
ATOM     15  C   LIG    1        4.762  -0.512  -0.658  0.00  0.00    +0.000 C 
BRANCH  15  16
ATOM     16  C   LIG    1        5.697  -1.636  -0.213  0.00  0.00    +0.001 C 
BRANCH  16  17
ATOM     17  C   LIG    1        7.078  -1.165   0.259  0.00  0.00    +0.017 C 
BRANCH  17  18
ATOM     18  C   LIG    1        7.942  -0.513  -0.820  0.00  0.00    +0.107 C 
BRANCH  18  19
ATOM     19  N   LIG    1        7.728   0.947  -0.938  0.00  0.00    -0.180 NA
ATOM     20  H   LIG    1        6.764   1.192  -1.157  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  S   LIG    1        8.252   1.902   0.328  0.00  0.00    +0.092 S 
ATOM     22  O   LIG    1        9.422   1.320   0.928  0.00  0.00    -0.142 OA
ATOM     23  O   LIG    1        7.079   2.315   1.049  0.00  0.00    -0.142 OA
BRANCH  21  24
ATOM     24  N   LIG    1        8.739   3.175  -0.609  0.00  0.00    -0.193 NA
ATOM     25  H   LIG    1        7.970   3.668  -1.050  0.00  0.00    +0.145 HD
ATOM     26  H   LIG    1        9.524   2.926  -1.204  0.00  0.00    +0.145 HD
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH   1  14
TORSDOF 19