REMARK  Name = BDB048413
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.112   0.896  -1.270  0.00  0.00    +0.000 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.141   0.783   0.256  0.00  0.00    +0.000 C 
BRANCH   2   3
ATOM      3  C   LIG    1        0.046  -0.638   0.820  0.00  0.00    -0.000 C 
BRANCH   3   4
ATOM      4  C   LIG    1       -1.175  -1.449   0.372  0.00  0.00    -0.000 C 
BRANCH   4   5
ATOM      5  C   LIG    1       -2.541  -0.815   0.658  0.00  0.00    -0.000 C 
BRANCH   5   6
ATOM      6  C   LIG    1       -2.835  -0.654   2.151  0.00  0.00    -0.000 C 
BRANCH   6   7
ATOM      7  C   LIG    1       -4.180   0.027   2.437  0.00  0.00    -0.000 C 
BRANCH   7   8
ATOM      8  C   LIG    1       -5.385  -0.769   1.932  0.00  0.00    -0.000 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -6.731  -0.180   2.366  0.00  0.00    -0.000 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -7.001   1.264   1.927  0.00  0.00    -0.000 C 
BRANCH  10  11
ATOM     11  C   LIG    1       -6.845   1.546   0.429  0.00  0.00    -0.000 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -7.786   0.718  -0.449  0.00  0.00    -0.000 C 
BRANCH  12  14
ATOM     13  C   LIG    1       -6.368   0.757  -2.569  0.00  0.00    +0.004 C 
ATOM     14  C   LIG    1       -7.708   1.092  -1.931  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   5   6
ENDBRANCH   4   5
ENDBRANCH   3   4
ENDBRANCH   2   3
ENDBRANCH   1   2
BRANCH   1  15
ATOM     15  C   LIG    1        1.160   0.092  -2.046  0.00  0.00    +0.000 C 
BRANCH  15  16
ATOM     16  C   LIG    1        2.590   0.638  -1.974  0.00  0.00    +0.001 C 
BRANCH  16  17
ATOM     17  C   LIG    1        3.407   0.103  -0.796  0.00  0.00    +0.017 C 
BRANCH  17  18
ATOM     18  C   LIG    1        4.858   0.573  -0.888  0.00  0.00    +0.107 C 
BRANCH  18  19
ATOM     19  N   LIG    1        5.622   0.169   0.304  0.00  0.00    -0.180 NA
ATOM     20  H   LIG    1        5.101   0.238   1.177  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  S   LIG    1        6.471  -1.264   0.255  0.00  0.00    +0.095 S 
ATOM     22  O   LIG    1        7.140  -1.409   1.522  0.00  0.00    -0.141 OA
ATOM     23  O   LIG    1        5.618  -2.294  -0.280  0.00  0.00    -0.141 OA
BRANCH  21  24
ATOM     24  N   LIG    1        7.602  -0.906  -0.915  0.00  0.00    -0.180 NA
ATOM     25  H   LIG    1        7.978  -1.766  -1.315  0.00  0.00    +0.149 HD
BRANCH  24  26
ATOM     26  C   LIG    1        8.618   0.118  -0.618  0.00  0.00    +0.106 C 
BRANCH  26  27
ATOM     27  C   LIG    1        9.896  -0.525  -0.090  0.00  0.00    +0.013 C 
ATOM     28  C   LIG    1       10.990   0.509   0.124  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 21