REMARK  Name = BDB048410
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.086   0.524   0.926  0.00  0.00    +0.000 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.520  -0.898   1.012  0.00  0.00    +0.004 C 
BRANCH   2   3
ATOM      3  C   LIG    1       -0.322  -1.205   2.255  0.00  0.00    +0.027 C 
BRANCH   3   5
ATOM      4  C   LIG    1       -2.815  -0.667   2.104  0.00  0.00    -0.031 C 
ATOM      5  C   LIG    1       -1.542  -0.335   2.372  0.00  0.00    -0.031 C 
BRANCH   4   6
ATOM      6  C   LIG    1       -3.336  -1.990   1.618  0.00  0.00    +0.027 C 
BRANCH   6   7
ATOM      7  C   LIG    1       -3.708  -1.985   0.131  0.00  0.00    +0.004 C 
BRANCH   7   8
ATOM      8  C   LIG    1       -4.785  -0.977  -0.291  0.00  0.00    +0.000 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -6.136  -1.212   0.390  0.00  0.00    +0.000 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -7.215  -0.212  -0.044  0.00  0.00    +0.000 C 
BRANCH  10  11
ATOM     11  C   LIG    1       -7.625  -0.360  -1.511  0.00  0.00    -0.000 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -8.858   0.471  -1.881  0.00  0.00    -0.000 C 
BRANCH  12  14
ATOM     13  C   LIG    1       -9.837   2.760  -2.268  0.00  0.00    +0.004 C 
ATOM     14  C   LIG    1       -8.623   1.979  -1.788  0.00  0.00    -0.003 C 
ENDBRANCH  12  14
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   9  10
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   6   7
ENDBRANCH   4   6
ENDBRANCH   3   5
ENDBRANCH   2   3
ENDBRANCH   1   2
BRANCH   1  15
ATOM     15  C   LIG    1        1.973   0.957   2.098  0.00  0.00    +0.000 C 
BRANCH  15  16
ATOM     16  C   LIG    1        3.182   0.060   2.384  0.00  0.00    +0.001 C 
BRANCH  16  17
ATOM     17  C   LIG    1        4.157  -0.038   1.208  0.00  0.00    +0.017 C 
BRANCH  17  18
ATOM     18  C   LIG    1        5.398  -0.841   1.589  0.00  0.00    +0.107 C 
BRANCH  18  19
ATOM     19  N   LIG    1        6.275  -1.077   0.425  0.00  0.00    -0.180 NA
ATOM     20  H   LIG    1        5.786  -1.520  -0.354  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  S   LIG    1        7.127   0.235  -0.162  0.00  0.00    +0.095 S 
ATOM     22  O   LIG    1        7.792   0.893   0.932  0.00  0.00    -0.141 OA
ATOM     23  O   LIG    1        6.284   0.914  -1.110  0.00  0.00    -0.141 OA
BRANCH  21  24
ATOM     24  N   LIG    1        8.274  -0.656  -0.987  0.00  0.00    -0.180 NA
ATOM     25  H   LIG    1        8.887  -1.106  -0.306  0.00  0.00    +0.149 HD
BRANCH  24  26
ATOM     26  C   LIG    1        9.020   0.038  -2.057  0.00  0.00    +0.106 C 
BRANCH  26  27
ATOM     27  C   LIG    1       10.015   1.045  -1.490  0.00  0.00    +0.013 C 
ATOM     28  C   LIG    1       10.881   1.645  -2.586  0.00  0.00    +0.005 C 
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 20