$$$$
REMARK  4 active torsions:
REMARK  status: ('A' for Active; 'I' for Inactive)
REMARK    1  A    between atoms: O_1  and  C_5 
REMARK    2  A    between atoms: O_1  and  C_12 
REMARK    3  A    between atoms: O_2  and  C_11 
REMARK    4  A    between atoms: C_6  and  C_11 
ROOT
HETATM    1  C   UNK N   1      -0.117   0.633   0.433  0.00  0.00     0.096 A 
HETATM    2  C   UNK N   1      -0.819  -0.545   0.071  0.00  0.00     0.071 A 
HETATM    3  C   UNK N   1      -0.782   1.866   0.447  0.00  0.00     0.038 A 
HETATM    4  C   UNK N   1      -2.179  -0.446  -0.275  0.00  0.00     0.021 A 
HETATM    5  C   UNK N   1      -2.131   1.945   0.102  0.00  0.00     0.003 A 
HETATM    6  C   UNK N   1      -2.829   0.792  -0.258  0.00  0.00     0.001 A 
ENDROOT
BRANCH   1   7
HETATM    7  O   UNK N   1       1.200   0.597   0.737  0.00  0.00    -0.278 OA
BRANCH   7   8
HETATM    8  C   UNK N   1       2.163   0.681  -0.218  0.00  0.00     0.260 C 
HETATM    9  O   UNK N   1       1.864   0.815  -1.398  0.00  0.00    -0.265 OA
HETATM   10  C   UNK N   1       3.601   0.604   0.177  0.00  0.00     0.126 C 
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   2  11
HETATM   11  C   UNK N   1      -0.148  -1.876   0.035  0.00  0.00     0.178 C 
HETATM   12  O   UNK N   1       0.985  -2.017   0.466  0.00  0.00    -0.646 OA
BRANCH  11  13
HETATM   13  O   UNK N   1      -0.790  -2.940  -0.497  0.00  0.00    -0.773 OA
HETATM   14  H   UNK N   1      -0.351  -3.799  -0.576  0.00  0.00     0.167 HD
ENDBRANCH  11  13
ENDBRANCH   2  11
TORSDOF 4

$$$$
REMARK  10 active torsions:
REMARK  status: ('A' for Active; 'I' for Inactive)
REMARK    1  A    between atoms: O_1  and  C_41 
REMARK    2  A    between atoms: O_2  and  C_42 
REMARK    3  A    between atoms: C_11  and  C_23 
REMARK    4  A    between atoms: C_12  and  C_24 
REMARK    5  A    between atoms: C_23  and  C_34 
REMARK    6  A    between atoms: C_24  and  C_35 
REMARK    7  A    between atoms: C_28  and  C_39 
REMARK    8  A    between atoms: C_29  and  C_40 
REMARK    9  A    between atoms: C_34  and  C_41 
REMARK   10  A    between atoms: C_35  and  C_42 
ROOT
HETATM    1  N   UNK N   1      -2.469   1.868   0.249  0.00  0.00    -0.355 N 
HETATM    2  N   UNK N   1      -2.762  -1.146   0.216  0.00  0.00    -0.355 N 
HETATM    3  N   UNK N   1       0.451   1.516   0.351  0.00  0.00    -0.355 N 
ATOM      4  HN  UNK N   1      -0.315   0.877   0.136  1.00  0.00     0.166 HD
HETATM    5  N   UNK N   1       0.132  -1.412   0.404  0.00  0.00    -0.355 N 
ATOM      6  HN  UNK N   1      -0.521  -0.630   0.466  1.00  0.00     0.166 HD
HETATM    7  C   UNK N   1       2.493   2.382   0.870  0.00  0.00    -0.023 A 
HETATM    8  C   UNK N   1       2.082  -2.670   0.203  0.00  0.00    -0.023 A 
HETATM    9  C   UNK N   1       1.682   1.191   0.537  0.00  0.00     0.041 A 
HETATM   10  C   UNK N   1       1.674   3.440   0.851  0.00  0.00    -0.027 A 
HETATM   11  C   UNK N   1       1.532  -1.313   0.302  0.00  0.00     0.041 A 
HETATM   12  C   UNK N   1       1.032  -3.499   0.287  0.00  0.00    -0.027 A 
HETATM   13  C   UNK N   1       0.351   2.923   0.499  0.00  0.00     0.041 A 
HETATM   14  C   UNK N   1      -0.180  -2.660   0.407  0.00  0.00     0.041 A 
HETATM   15  C   UNK N   1      -2.064   3.100  -0.104  0.00  0.00     0.041 A 
HETATM   16  C   UNK N   1      -4.061  -0.778   0.253  0.00  0.00     0.041 A 
HETATM   17  C   UNK N   1      -2.697  -2.462   0.504  0.00  0.00     0.045 A 
HETATM   18  C   UNK N   1      -3.713   1.681  -0.245  0.00  0.00     0.045 A 
HETATM   19  C   UNK N   1       2.246  -0.177   0.382  0.00  0.00     0.060 C 
HETATM   20  C   UNK N   1      -3.071   3.740  -0.810  0.00  0.00    -0.023 A 
HETATM   21  C   UNK N   1      -4.848  -1.887   0.547  0.00  0.00    -0.023 A 
HETATM   22  C   UNK N   1      -4.122   2.837  -0.919  0.00  0.00    -0.002 A 
HETATM   23  C   UNK N   1      -3.980  -2.954   0.708  0.00  0.00    -0.002 A 
HETATM   24  C   UNK N   1      -0.748   3.671   0.265  0.00  0.00     0.060 C 
HETATM   25  C   UNK N   1      -1.564  -3.195   0.564  0.00  0.00     0.060 C 
HETATM   26  C   UNK N   1      -4.538   0.464   0.010  0.00  0.00     0.060 C 
HETATM   27  C   UNK N   1       2.013   4.873   1.159  0.00  0.00     0.051 C 
HETATM   28  C   UNK N   1       1.041  -5.001   0.229  0.00  0.00     0.051 C 
HETATM   29  C   UNK N   1      -3.034   5.122  -1.398  0.00  0.00     0.051 C 
HETATM   30  C   UNK N   1      -6.344  -1.923   0.664  0.00  0.00     0.051 C 
HETATM   31  H   UNK N   1      -1.927   1.233   0.864  0.00  0.00     0.166 HD
HETATM   32  H   UNK N   1      -1.961  -0.550  -0.044  0.00  0.00     0.166 HD
ENDROOT
BRANCH   7  33
HETATM   33  C   UNK N   1       3.956   2.367   1.236  0.00  0.00     0.052 C 
BRANCH  33  34
HETATM   34  C   UNK N   1       4.841   2.609   0.009  0.00  0.00     0.115 C 
BRANCH  34  35
HETATM   35  C   UNK N   1       6.312   2.516   0.326  0.00  0.00     0.139 C 
HETATM   36  O   UNK N   1       6.696   2.274   1.462  0.00  0.00    -0.650 OA
BRANCH  35  37
HETATM   37  O   UNK N   1       7.213   2.694  -0.662  0.00  0.00    -0.776 OA
HETATM   38  H   UNK N   1       8.163   2.633  -0.487  0.00  0.00     0.167 HD
ENDBRANCH  35  37
ENDBRANCH  34  35
ENDBRANCH  33  34
ENDBRANCH   7  33
BRANCH   8  39
HETATM   39  C   UNK N   1       3.539  -3.038   0.040  0.00  0.00     0.052 C 
BRANCH  39  40
HETATM   40  C   UNK N   1       3.949  -2.917  -1.435  0.00  0.00     0.115 C 
BRANCH  40  41
HETATM   41  C   UNK N   1       5.397  -3.252  -1.682  0.00  0.00     0.139 C 
HETATM   42  O   UNK N   1       6.140  -3.546  -0.757  0.00  0.00    -0.650 OA
BRANCH  41  43
HETATM   43  O   UNK N   1       5.872  -3.229  -2.945  0.00  0.00    -0.776 OA
HETATM   44  H   UNK N   1       6.796  -3.448  -3.136  0.00  0.00     0.167 HD
ENDBRANCH  41  43
ENDBRANCH  40  41
ENDBRANCH  39  40
ENDBRANCH   8  39
BRANCH  22  45
HETATM   45  C   UNK N   1      -5.383   3.129  -1.659  0.00  0.00     0.004 C 
HETATM   46  C   UNK N   1      -6.226   2.194  -2.114  0.00  0.00     0.012 C 
ENDBRANCH  22  45
BRANCH  23  47
HETATM   47  C   UNK N   1      -4.354  -4.340   1.037  0.00  0.00     0.004 C 
HETATM   48  C   UNK N   1      -4.628  -5.217   0.070  0.00  0.00     0.012 C 
ENDBRANCH  23  47
TORSDOF 10

$$$$
REMARK  0 active torsions:
REMARK  status: ('A' for Active; 'I' for Inactive)
REMARK       I    between atoms: O_1  and  C_8 
REMARK       I    between atoms: O_2  and  C_11 
REMARK       I    between atoms: O_3  and  C_21 
ROOT
HETATM    1  O   UNK N   1      -4.744   1.517  -0.294  0.00  0.00    -0.392 OA
HETATM    2  O   UNK N   1      -4.979  -1.487   0.841  0.00  0.00    -0.393 OA
HETATM    3  O   UNK N   1       6.094   0.000  -0.364  0.00  0.00    -0.361 OA
HETATM    4  C   UNK N   1      -2.390   0.787  -0.221  0.00  0.00    -0.012 C 
HETATM    5  C   UNK N   1      -1.789  -0.552   0.258  0.00  0.00     0.003 C 
HETATM    6  C   UNK N   1      -0.301  -0.680  -0.126  0.00  0.00    -0.001 C 
HETATM    7  C   UNK N   1       0.487   0.469   0.586  0.00  0.00     0.023 C 
HETATM    8  C   UNK N   1      -3.840   0.591   0.251  0.00  0.00     0.155 C 
HETATM    9  C   UNK N   1      -1.633   1.930   0.493  0.00  0.00     0.013 C 
HETATM   10  C   UNK N   1      -2.777  -1.589  -0.268  0.00  0.00     0.040 C 
HETATM   11  C   UNK N   1      -4.152  -0.885  -0.124  0.00  0.00     0.148 C 
HETATM   12  C   UNK N   1      -0.113   1.859   0.200  0.00  0.00     0.010 C 
HETATM   13  C   UNK N   1       0.297  -2.020   0.293  0.00  0.00     0.010 C 
HETATM   14  C   UNK N   1      -2.354   1.012  -1.769  0.00  0.00     0.018 C 
HETATM   15  C   UNK N   1       1.995   0.341   0.340  0.00  0.00    -0.047 A 
HETATM   16  C   UNK N   1       1.721  -2.144  -0.255  0.00  0.00     0.039 C 
HETATM   17  C   UNK N   1       2.561  -0.901  -0.063  0.00  0.00    -0.049 A 
HETATM   18  C   UNK N   1       2.854   1.445   0.524  0.00  0.00     0.011 A 
HETATM   19  C   UNK N   1       3.941  -0.992  -0.308  0.00  0.00     0.044 A 
HETATM   20  C   UNK N   1       4.224   1.332   0.284  0.00  0.00     0.037 A 
HETATM   21  C   UNK N   1       4.770   0.116  -0.134  0.00  0.00     0.066 A 
HETATM   22  H   UNK N   1      -5.649   1.238   0.002  0.00  0.00     0.210 HD
HETATM   23  H   UNK N   1      -4.459  -1.544   1.686  0.00  0.00     0.210 HD
HETATM   24  H   UNK N   1       6.698   0.747  -0.244  0.00  0.00     0.217 HD
ENDROOT
TORSDOF 3

$$$$
REMARK  6 active torsions:
REMARK  status: ('A' for Active; 'I' for Inactive)
REMARK    1  A    between atoms: O_1  and  C_22 
REMARK    2  A    between atoms: C_6  and  C_13 
REMARK    3  A    between atoms: C_13  and  C_21 
REMARK    4  A    between atoms: C_21  and  C_24 
REMARK    5  A    between atoms: C_24  and  C_25 
REMARK    6  A    between atoms: C_25  and  C_26 
ROOT
HETATM    1  C   LIG N   1      -0.768  -1.291  -0.314  0.00  0.00    -0.036 C 
HETATM    2  C   LIG N   1      -0.090  -0.559   0.867  0.00  0.00    -0.001 C 
HETATM    3  C   LIG N   1       1.461  -0.665   0.858  0.00  0.00    -0.001 C 
HETATM    4  C   LIG N   1       2.000  -0.067  -0.462  0.00  0.00     0.003 C 
HETATM    5  C   LIG N   1      -2.261  -0.988   0.028  0.00  0.00    -0.002 C 
HETATM    6  C   LIG N   1      -0.237  -0.617  -1.613  0.00  0.00     0.010 C 
HETATM    7  C   LIG N   1       3.583  -0.135  -0.531  0.00  0.00    -0.017 C 
HETATM    8  C   LIG N   1      -0.855  -1.066   2.078  0.00  0.00     0.006 C 
HETATM    9  C   LIG N   1       1.299  -0.700  -1.705  0.00  0.00     0.007 C 
HETATM   10  C   LIG N   1      -2.315  -1.141   1.577  0.00  0.00     0.006 C 
HETATM   11  C   LIG N   1       2.037   0.122   2.052  0.00  0.00     0.033 C 
HETATM   12  C   LIG N   1      -0.511  -2.834  -0.336  0.00  0.00     0.016 C 
HETATM   13  C   LIG N   1       4.224   0.241   0.818  0.00  0.00    -0.072 C 
HETATM   14  C   LIG N   1       4.058   0.921  -1.580  0.00  0.00     0.016 C 
HETATM   15  C   LIG N   1       3.517   0.376   1.955  0.00  0.00    -0.023 C 
HETATM   16  C   LIG N   1       4.089  -1.551  -0.918  0.00  0.00     0.020 C 
HETATM   17  C   LIG N   1       5.724   0.497   0.838  0.00  0.00     0.066 C 
HETATM   18  C   LIG N   1       5.583   1.142  -1.592  0.00  0.00     0.033 C 
HETATM   19  C   LIG N   1       6.072   1.574  -0.198  0.00  0.00     0.122 C 
ENDROOT
BRANCH   5  20
HETATM   20  C   LIG N   1      -3.422  -1.742  -0.703  0.00  0.00    -0.014 C 
HETATM   21  C   LIG N   1      -3.331  -1.674  -2.236  0.00  0.00     0.010 C 
BRANCH  20  22
HETATM   22  C   LIG N   1      -4.839  -1.279  -0.252  0.00  0.00     0.005 C 
BRANCH  22  23
HETATM   23  C   LIG N   1      -5.160   0.221  -0.434  0.00  0.00     0.001 C 
BRANCH  23  24
HETATM   24  C   LIG N   1      -6.674   0.463  -0.245  0.00  0.00     0.004 C 
BRANCH  24  25
HETATM   25  C   LIG N   1      -7.127   1.944  -0.184  0.00  0.00    -0.023 C 
HETATM   26  C   LIG N   1      -6.597   2.787  -1.352  0.00  0.00     0.009 C 
HETATM   27  C   LIG N   1      -6.759   2.590   1.158  0.00  0.00     0.009 C 
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   5  20
BRANCH  19  28
HETATM   28  O   LIG N   1       7.461   1.771  -0.241  0.00  0.00    -0.395 OA
HETATM   29  H   LIG N   1       7.699   2.305   0.562  0.00  0.00     0.210 HD
ENDBRANCH  19  28
TORSDOF 6

$$$$
REMARK  31 active torsions:
REMARK  status: ('A' for Active; 'I' for Inactive)
REMARK    1  A    between atoms: O_4  and  C_46 
REMARK    2  A    between atoms: C_11  and  C_12 
REMARK    3  A    between atoms: C_11  and  C_15 
REMARK    4  A    between atoms: C_12  and  C_16 
REMARK    5  A    between atoms: C_13  and  C_14 
REMARK    6  A    between atoms: C_13  and  C_17 
REMARK    7  A    between atoms: C_14  and  C_18 
REMARK    8  A    between atoms: C_15  and  C_19 
REMARK    9  A    between atoms: C_16  and  C_20 
REMARK   10  A    between atoms: C_17  and  C_21 
REMARK   11  A    between atoms: C_18  and  C_22 
REMARK   12  A    between atoms: C_19  and  C_23 
REMARK   13  A    between atoms: C_20  and  C_25 
REMARK   14  A    between atoms: C_21  and  C_24 
REMARK   15  A    between atoms: C_22  and  C_26 
REMARK   16  A    between atoms: C_23  and  C_27 
REMARK   17  A    between atoms: C_24  and  C_28 
REMARK   18  A    between atoms: C_25  and  C_29 
REMARK   19  A    between atoms: C_26  and  C_30 
REMARK   20  A    between atoms: C_27  and  C_32 
REMARK   21  A    between atoms: C_28  and  C_33 
REMARK   22  A    between atoms: C_29  and  C_34 
REMARK   23  A    between atoms: C_30  and  C_35 
REMARK   24  A    between atoms: C_31  and  C_39 
REMARK   25  A    between atoms: C_32  and  C_40 
REMARK   26  A    between atoms: C_33  and  C_41 
REMARK   27  A    between atoms: C_34  and  C_42 
REMARK   28  A    between atoms: C_35  and  C_43 
REMARK   29  A    between atoms: C_40  and  C_45 
REMARK   30  A    between atoms: C_41  and  C_46 
REMARK   31  A    between atoms: C_44  and  C_50 
ROOT
HETATM    1  O   UNK N   1       9.794  -6.567   0.000  0.00  0.00    -0.312 OA
HETATM    2  O   UNK N   1       9.794  -4.567   0.000  0.00  0.00    -0.319 OA
HETATM    3  O   UNK N   1      10.660  -5.067   0.000  0.00  0.00    -0.265 OA
HETATM    4  C   UNK N   1       8.928  -6.067   0.000  0.00  0.00     0.180 A 
HETATM    5  C   UNK N   1      10.660  -6.067   0.000  0.00  0.00     0.259 A 
HETATM    6  C   UNK N   1       8.928  -5.067   0.000  0.00  0.00     0.213 A 
ENDROOT
BRANCH   2   7
HETATM    7  C   UNK N   1       9.794  -3.567   0.000  0.00  0.00     0.258 C 
HETATM    8  O   UNK N   1       8.928  -3.067   0.000  0.00  0.00    -0.265 OA
BRANCH   7   9
HETATM    9  C   UNK N   1      10.660  -3.067   0.000  0.00  0.00     0.111 C 
BRANCH   9  10
HETATM   10  C   UNK N   1      10.660  -2.067   0.000  0.00  0.00     0.010 C 
BRANCH  10  11
HETATM   11  C   UNK N   1      11.526  -1.567   0.000  0.00  0.00     0.000 C 
BRANCH  11  12
HETATM   12  C   UNK N   1      11.526  -0.567   0.000  0.00  0.00     0.000 C 
BRANCH  12  13
HETATM   13  C   UNK N   1      12.392  -0.067   0.000  0.00  0.00     0.000 C 
BRANCH  13  14
HETATM   14  C   UNK N   1      12.392   0.933   0.000  0.00  0.00     0.000 C 
BRANCH  14  15
HETATM   15  C   UNK N   1      13.258   1.433   0.000  0.00  0.00     0.000 C 
BRANCH  15  16
HETATM   16  C   UNK N   1      13.258   2.433   0.000  0.00  0.00     0.000 C 
BRANCH  16  17
HETATM   17  C   UNK N   1      14.124   2.933   0.000  0.00  0.00     0.000 C 
BRANCH  17  18
HETATM   18  C   UNK N   1      14.124   3.933   0.000  0.00  0.00     0.000 C 
BRANCH  18  19
HETATM   19  C   UNK N   1      14.990   4.433   0.000  0.00  0.00     0.000 C 
BRANCH  19  20
HETATM   20  C   UNK N   1      14.990   5.433   0.000  0.00  0.00     0.000 C 
BRANCH  20  21
HETATM   21  C   UNK N   1      15.856   5.933   0.000  0.00  0.00    -0.000 C 
BRANCH  21  22
HETATM   22  C   UNK N   1      15.856   6.933   0.000  0.00  0.00    -0.005 C 
HETATM   23  C   UNK N   1      16.722   7.433   0.000  0.00  0.00     0.005 C 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   9  10
ENDBRANCH   7   9
ENDBRANCH   2   7
BRANCH   4  24
HETATM   24  C   UNK N   1       8.062  -6.567   0.000  0.00  0.00     0.215 A 
HETATM   25  O   UNK N   1       7.196  -6.067   0.000  0.00  0.00    -0.294 OA
HETATM   26  P   UNK N   1       6.330  -6.567   0.000  0.00  0.00     0.393 P 
HETATM   27  O   UNK N   1       5.464  -7.067   0.000  0.00  0.00    -0.295 OA
HETATM   28  O   UNK N   1       5.830  -5.701   0.000  0.00  0.00    -0.307 OA
HETATM   29  O   UNK N   1       6.830  -7.433   0.000  0.00  0.00    -0.631 OA
HETATM   30  C   UNK N   1       4.598  -6.567   0.000  0.00  0.00     0.208 A 
HETATM   31  H   UNK N   1       6.140  -5.164   0.000  0.00  0.00     0.222 HD
HETATM   32  C   UNK N   1       3.366  -5.701   0.000  0.00  0.00     0.271 A 
HETATM   33  N   UNK N   1       2.866  -6.567   0.000  0.00  0.00    -0.077 N 
HETATM   34  C   UNK N   1       3.732  -7.067   0.000  0.00  0.00     0.262 A 
HETATM   35  C   UNK N   1       2.000  -6.067   0.000  0.00  0.00     0.271 A 
HETATM   36  C   UNK N   1       2.366  -7.433   0.000  0.00  0.00     0.271 A 
ENDBRANCH   4  24
BRANCH   5  37
HETATM   37  C   UNK N   1      11.526  -6.567   0.000  0.00  0.00     0.111 C 
BRANCH  37  38
HETATM   38  C   UNK N   1      12.392  -6.067   0.000  0.00  0.00     0.010 C 
BRANCH  38  39
HETATM   39  C   UNK N   1      13.258  -6.567   0.000  0.00  0.00     0.000 C 
BRANCH  39  40
HETATM   40  C   UNK N   1      14.124  -6.067   0.000  0.00  0.00     0.000 C 
BRANCH  40  41
HETATM   41  C   UNK N   1      14.990  -6.567   0.000  0.00  0.00     0.000 C 
BRANCH  41  42
HETATM   42  C   UNK N   1      15.856  -6.067   0.000  0.00  0.00     0.000 C 
BRANCH  42  43
HETATM   43  C   UNK N   1      16.722  -6.567   0.000  0.00  0.00     0.000 C 
BRANCH  43  44
HETATM   44  C   UNK N   1      17.589  -6.067   0.000  0.00  0.00     0.000 C 
BRANCH  44  45
HETATM   45  C   UNK N   1      18.454  -6.567   0.000  0.00  0.00     0.000 C 
BRANCH  45  46
HETATM   46  C   UNK N   1      19.320  -6.067   0.000  0.00  0.00     0.000 C 
BRANCH  46  47
HETATM   47  C   UNK N   1      20.186  -6.567   0.000  0.00  0.00     0.000 C 
BRANCH  47  48
HETATM   48  C   UNK N   1      21.053  -6.067   0.000  0.00  0.00     0.000 C 
BRANCH  48  49
HETATM   49  C   UNK N   1      21.919  -6.567   0.000  0.00  0.00    -0.000 C 
BRANCH  49  50
HETATM   50  C   UNK N   1      22.785  -6.067   0.000  0.00  0.00    -0.005 C 
HETATM   51  C   UNK N   1      23.651  -6.567   0.000  0.00  0.00     0.005 C 
ENDBRANCH  49  50
ENDBRANCH  48  49
ENDBRANCH  47  48
ENDBRANCH  46  47
ENDBRANCH  45  46
ENDBRANCH  44  45
ENDBRANCH  43  44
ENDBRANCH  42  43
ENDBRANCH  41  42
ENDBRANCH  40  41
ENDBRANCH  39  40
ENDBRANCH  38  39
ENDBRANCH  37  38
ENDBRANCH   5  37
TORSDOF 31

$$$$
REMARK  0 active torsions:
REMARK  status: ('A' for Active; 'I' for Inactive)
REMARK       I    between atoms: O_1  and  C_13 
REMARK       I    between atoms: O_2  and  C_23 
REMARK       I    between atoms: C_7  and  C_14 
REMARK       I    between atoms: C_14  and  C_22 
REMARK       I    between atoms: C_22  and  C_25 
REMARK       I    between atoms: C_25  and  C_26 
REMARK       I    between atoms: C_26  and  C_27 
ROOT
HETATM    1  O   UNK N   1      -1.838  -2.990  -1.312  0.00  0.00    -0.391 OA
HETATM    2  O   UNK N   1      -7.400   1.426  -1.188  0.00  0.00    -0.395 OA
HETATM    3  C   UNK N   1       0.857  -0.378   1.116  0.00  0.00    -0.036 C 
HETATM    4  C   UNK N   1       0.159  -0.993  -0.119  0.00  0.00     0.001 C 
HETATM    5  C   UNK N   1      -1.390  -1.007   0.002  0.00  0.00     0.028 C 
HETATM    6  C   UNK N   1      -1.900   0.443   0.212  0.00  0.00     0.005 C 
HETATM    7  C   UNK N   1       2.337  -0.561   0.691  0.00  0.00    -0.002 C 
HETATM    8  C   UNK N   1       0.380   1.100   1.196  0.00  0.00     0.010 C 
HETATM    9  C   UNK N   1      -3.469   0.472   0.398  0.00  0.00    -0.017 C 
HETATM   10  C   UNK N   1       0.896  -2.309  -0.323  0.00  0.00     0.006 C 
HETATM   11  C   UNK N   1      -1.141   1.179   1.358  0.00  0.00     0.007 C 
HETATM   12  C   UNK N   1       2.356  -1.979   0.053  0.00  0.00     0.006 C 
HETATM   13  C   UNK N   1      -2.037  -1.597  -1.277  0.00  0.00     0.146 C 
HETATM   14  C   UNK N   1       3.492  -0.336   1.727  0.00  0.00    -0.014 C 
HETATM   15  C   UNK N   1       0.579  -1.144   2.450  0.00  0.00     0.016 C 
HETATM   16  C   UNK N   1      -4.171  -0.395  -0.655  0.00  0.00    -0.070 C 
HETATM   17  C   UNK N   1      -3.937   1.951   0.190  0.00  0.00     0.016 C 
HETATM   18  C   UNK N   1      -3.508  -1.291  -1.426  0.00  0.00     0.008 C 
HETATM   19  C   UNK N   1      -3.910  -0.040   1.798  0.00  0.00     0.020 C 
HETATM   20  C   UNK N   1      -5.669  -0.231  -0.836  0.00  0.00     0.066 C 
HETATM   21  C   UNK N   1      -5.462   2.111   0.097  0.00  0.00     0.033 C 
HETATM   22  C   UNK N   1       4.893  -0.576   1.105  0.00  0.00     0.005 C 
HETATM   23  C   UNK N   1      -6.012   1.251  -1.057  0.00  0.00     0.122 C 
HETATM   24  C   UNK N   1       3.448   1.049   2.397  0.00  0.00     0.010 C 
HETATM   25  C   UNK N   1       5.241   0.379  -0.047  0.00  0.00     0.001 C 
HETATM   26  C   UNK N   1       6.661   0.125  -0.570  0.00  0.00     0.004 C 
HETATM   27  C   UNK N   1       7.086   1.052  -1.735  0.00  0.00    -0.023 C 
HETATM   28  C   UNK N   1       7.092   2.533  -1.327  0.00  0.00     0.009 C 
HETATM   29  C   UNK N   1       6.220   0.845  -2.987  0.00  0.00     0.009 C 
HETATM   30  H   UNK N   1      -2.333  -3.383  -0.545  0.00  0.00     0.210 HD
HETATM   31  H   UNK N   1      -7.821   1.146  -0.333  0.00  0.00     0.210 HD
ENDROOT
TORSDOF 7

$$$$
REMARK  6 active torsions:
REMARK  status: ('A' for Active; 'I' for Inactive)
REMARK    1  A    between atoms: C_1  and  C_2 
REMARK    2  A    between atoms: C_3  and  C_8 
REMARK    3  A    between atoms: C_7  and  C_13 
REMARK    4  A    between atoms: C_9  and  C_10 
REMARK    5  A    between atoms: C_18  and  C_19 
REMARK    6  A    between atoms: C_21  and  C_25 
ROOT
HETATM    1  C   UNK N   1      13.834 -10.133   0.000  0.00  0.00    -0.005 A 
HETATM    2  C   UNK N   1      13.123  -9.726   0.000  0.00  0.00    -0.002 A 
HETATM    3  C   UNK N   1      14.548  -9.719   0.000  0.00  0.00     0.001 A 
HETATM    4  C   UNK N   1      13.822 -10.984   0.000  0.00  0.00     0.006 A 
HETATM    5  C   UNK N   1      12.417 -10.140   0.000  0.00  0.00    -0.036 A 
HETATM    6  C   UNK N   1      13.116  -8.901   0.000  0.00  0.00     0.007 A 
HETATM    7  C   UNK N   1      14.551  -8.893   0.000  0.00  0.00    -0.014 A 
HETATM    8  C   UNK N   1      15.976  -9.722   0.000  0.00  0.00     0.008 A 
HETATM    9  C   UNK N   1      13.127 -11.361   0.000  0.00  0.00     0.006 A 
HETATM   10  C   UNK N   1      12.417 -10.954   0.000  0.00  0.00    -0.002 A 
HETATM   11  C   UNK N   1      11.721  -9.741   0.000  0.00  0.00     0.014 A 
HETATM   12  C   UNK N   1      12.406  -9.149   0.000  0.00  0.00     0.016 A 
HETATM   13  C   UNK N   1      13.830  -8.486   0.000  0.00  0.00     0.012 A 
HETATM   14  C   UNK N   1      15.265  -8.483   0.000  0.00  0.00     0.126 A 
HETATM   15  C   UNK N   1      14.551  -7.911   0.000  0.00  0.00     0.018 A 
HETATM   16  C   UNK N   1      15.976  -8.901   0.000  0.00  0.00     0.033 A 
HETATM   17  C   UNK N   1      11.710 -11.365   0.000  0.00  0.00     0.040 A 
HETATM   18  C   UNK N   1      11.015 -10.140   0.000  0.00  0.00     0.036 A 
HETATM   19  C   UNK N   1      11.015 -10.954   0.000  0.00  0.00    -0.069 A 
HETATM   20  O   UNK N   1      15.270  -7.633   0.000  0.00  0.00    -0.395 OA
HETATM   21  C   UNK N   1      10.262 -11.384   0.000  0.00  0.00    -0.034 A 
HETATM   22  C   UNK N   1       9.498 -11.039   0.000  0.00  0.00     0.011 A 
HETATM   23  C   UNK N   1       8.934 -11.659   0.000  0.00  0.00     0.001 A 
HETATM   24  C   UNK N   1       9.350 -12.387   0.000  0.00  0.00     0.001 A 
HETATM   25  C   UNK N   1      10.171 -12.217   0.000  0.00  0.00     0.011 A 
HETATM   26  H   UNK N   1      16.112  -7.153   0.000  0.00  0.00     0.210 HD
ENDROOT
TORSDOF 6