File: SY2.cif

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global_
_lib_name         ?
_lib_version      ?
_lib_update       ?
# ------------------------------------------------
#
# ---   LIST OF MONOMERS ---
#
data_comp_list
loop_
_chem_comp.id
_chem_comp.three_letter_code
_chem_comp.name
_chem_comp.group
_chem_comp.number_atoms_all
_chem_comp.number_atoms_nh
_chem_comp.desc_level
SY2      SY2 'N-{[(1S)-2-methyl-1-{[(5S,8S)-5-(1-m' non-polymer        75  35 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_SY2
#
loop_
_chem_comp_atom.comp_id
_chem_comp_atom.atom_id
_chem_comp_atom.type_symbol
_chem_comp_atom.type_energy
_chem_comp_atom.partial_charge
_chem_comp_atom.x
_chem_comp_atom.y
_chem_comp_atom.z
 SY2           O9     O    O         0.000      0.000    0.000    0.000
 SY2           C8     C    C         0.000     -0.408    0.886   -0.727
 SY2           N7     N    NH1       0.000      0.463    1.640   -1.426
 SY2           HN7    H    H         0.000      0.124    2.375   -2.029
 SY2           C3     C    CH1       0.000      1.903    1.392   -1.309
 SY2           H3     H    H         0.000      2.140    1.084   -0.282
 SY2           C1     C    C         0.000      2.658    2.654   -1.643
 SY2           O35    O    OC       -0.500      3.908    2.662   -1.605
 SY2           O2     O    OC       -0.500      2.034    3.692   -1.957
 SY2           C4     C    CH1       0.000      2.309    0.283   -2.281
 SY2           H4     H    H         0.000      2.072    0.592   -3.309
 SY2           C5     C    CH3       0.000      1.543   -0.997   -1.944
 SY2           H5B    H    H         0.000      0.502   -0.820   -2.028
 SY2           H5A    H    H         0.000      1.825   -1.766   -2.616
 SY2           H5     H    H         0.000      1.771   -1.295   -0.953
 SY2           C6     C    CH3       0.000      3.813    0.025   -2.161
 SY2           H6B    H    H         0.000      4.345    0.910   -2.395
 SY2           H6A    H    H         0.000      4.043   -0.273   -1.170
 SY2           H6     H    H         0.000      4.095   -0.744   -2.833
 SY2           N36    N    NH1       0.000     -1.733    1.110   -0.838
 SY2           HN36   H    H         0.000     -2.072    1.845   -1.442
 SY2           C11    C    CH1       0.000     -2.680    0.287   -0.083
 SY2           H11    H    H         0.000     -2.298   -0.741   -0.014
 SY2           C12    C    CH1       0.000     -2.849    0.862    1.324
 SY2           H12    H    H         0.000     -3.290    1.867    1.258
 SY2           C13    C    CH3       0.000     -1.483    0.949    2.007
 SY2           H13B   H    H         0.000     -1.599    1.348    2.982
 SY2           H13A   H    H         0.000     -1.057   -0.019    2.072
 SY2           H13    H    H         0.000     -0.844    1.578    1.443
 SY2           C14    C    CH3       0.000     -3.771   -0.046    2.140
 SY2           H14B   H    H         0.000     -3.932    0.381    3.096
 SY2           H14A   H    H         0.000     -4.699   -0.150    1.640
 SY2           H14    H    H         0.000     -3.322   -0.999    2.251
 SY2           C15    C    C         0.000     -4.013    0.280   -0.787
 SY2           O16    O    O         0.000     -4.352    1.237   -1.451
 SY2           N17    N    NH1       0.000     -4.828   -0.786   -0.678
 SY2           HN17   H    H         0.000     -4.581   -1.550   -0.064
 SY2           C18    C    CH1       0.000     -6.072   -0.840   -1.448
 SY2           H18    H    H         0.000     -5.889   -0.385   -2.432
 SY2           C19    C    C         0.000     -7.151   -0.057   -0.760
 SY2           O20    O    O         0.000     -8.283   -0.124   -1.204
 SY2           N21    N    NH1       0.000     -6.888    0.737    0.307
 SY2           HN21   H    H         0.000     -5.939    0.931    0.590
 SY2           C22    C    CH1       0.000     -8.038    1.311    1.043
 SY2           H22    H    H         0.000     -7.710    1.635    2.041
 SY2           C23    C    CH1       0.000     -8.623    2.500    0.285
 SY2           H23    H    H         0.000     -8.969    2.169   -0.704
 SY2           C24    C    CH3       0.000     -7.548    3.576    0.115
 SY2           H24B   H    H         0.000     -7.953    4.401   -0.412
 SY2           H24A   H    H         0.000     -7.213    3.896    1.067
 SY2           H24    H    H         0.000     -6.731    3.177   -0.430
 SY2           C25    C    CH3       0.000     -9.801    3.077    1.071
 SY2           H25B   H    H         0.000    -10.244    3.865    0.519
 SY2           H25A   H    H         0.000    -10.521    2.318    1.239
 SY2           H25    H    H         0.000     -9.458    3.449    2.002
 SY2           C26    C    C1        0.000     -9.071    0.212    1.182
 SY2           H26    H    H         0.000    -10.116    0.401    1.003
 SY2           C27    C    C1        0.000     -8.637   -0.994    1.533
 SY2           H27    H    H         0.000     -7.615   -1.112    1.853
 SY2           C28    C    C         0.000     -9.514   -2.167    1.496
 SY2           O29    O    O         0.000    -10.718   -2.027    1.378
 SY2           N30    N    NH1       0.000     -8.980   -3.410    1.577
 SY2           HN30   H    H         0.000     -9.567   -4.224    1.455
 SY2           C31    C    CH2       0.000     -7.549   -3.569    1.842
 SY2           H31    H    H         0.000     -7.358   -4.635    1.981
 SY2           H31A   H    H         0.000     -7.327   -3.037    2.770
 SY2           C32    C    CH2       0.000     -6.665   -3.035    0.726
 SY2           H32    H    H         0.000     -5.878   -3.769    0.546
 SY2           H32A   H    H         0.000     -6.218   -2.101    1.074
 SY2           C33    C    CH2       0.000     -7.432   -2.783   -0.563
 SY2           H33    H    H         0.000     -8.199   -2.028   -0.378
 SY2           H33A   H    H         0.000     -7.908   -3.714   -0.880
 SY2           C34    C    CH2       0.000     -6.488   -2.293   -1.661
 SY2           H34A   H    H         0.000     -7.001   -2.390   -2.620
 SY2           H34    H    H         0.000     -5.602   -2.931   -1.657
loop_
_chem_comp_tree.comp_id
_chem_comp_tree.atom_id
_chem_comp_tree.atom_back
_chem_comp_tree.atom_forward
_chem_comp_tree.connect_type
 SY2      O9     n/a    C8     START
 SY2      C8     O9     N36    .
 SY2      N7     C8     C3     .
 SY2      HN7    N7     .      .
 SY2      C3     N7     C4     .
 SY2      H3     C3     .      .
 SY2      C1     C3     O2     .
 SY2      O35    C1     .      .
 SY2      O2     C1     .      .
 SY2      C4     C3     C6     .
 SY2      H4     C4     .      .
 SY2      C5     C4     H5     .
 SY2      H5B    C5     .      .
 SY2      H5A    C5     .      .
 SY2      H5     C5     .      .
 SY2      C6     C4     H6     .
 SY2      H6B    C6     .      .
 SY2      H6A    C6     .      .
 SY2      H6     C6     .      .
 SY2      N36    C8     C11    .
 SY2      HN36   N36    .      .
 SY2      C11    N36    C15    .
 SY2      H11    C11    .      .
 SY2      C12    C11    C14    .
 SY2      H12    C12    .      .
 SY2      C13    C12    H13    .
 SY2      H13B   C13    .      .
 SY2      H13A   C13    .      .
 SY2      H13    C13    .      .
 SY2      C14    C12    H14    .
 SY2      H14B   C14    .      .
 SY2      H14A   C14    .      .
 SY2      H14    C14    .      .
 SY2      C15    C11    N17    .
 SY2      O16    C15    .      .
 SY2      N17    C15    C18    .
 SY2      HN17   N17    .      .
 SY2      C18    N17    C19    .
 SY2      H18    C18    .      .
 SY2      C19    C18    N21    .
 SY2      O20    C19    .      .
 SY2      N21    C19    C22    .
 SY2      HN21   N21    .      .
 SY2      C22    N21    C26    .
 SY2      H22    C22    .      .
 SY2      C23    C22    C25    .
 SY2      H23    C23    .      .
 SY2      C24    C23    H24    .
 SY2      H24B   C24    .      .
 SY2      H24A   C24    .      .
 SY2      H24    C24    .      .
 SY2      C25    C23    H25    .
 SY2      H25B   C25    .      .
 SY2      H25A   C25    .      .
 SY2      H25    C25    .      .
 SY2      C26    C22    C27    .
 SY2      H26    C26    .      .
 SY2      C27    C26    C28    .
 SY2      H27    C27    .      .
 SY2      C28    C27    N30    .
 SY2      O29    C28    .      .
 SY2      N30    C28    C31    .
 SY2      HN30   N30    .      .
 SY2      C31    N30    C32    .
 SY2      H31    C31    .      .
 SY2      H31A   C31    .      .
 SY2      C32    C31    C33    .
 SY2      H32    C32    .      .
 SY2      H32A   C32    .      .
 SY2      C33    C32    C34    .
 SY2      H33    C33    .      .
 SY2      H33A   C33    .      .
 SY2      C34    C33    H34    .
 SY2      H34A   C34    .      .
 SY2      H34    C34    .      END
 SY2      C18    C34    .    ADD
loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.type
_chem_comp_bond.value_dist
_chem_comp_bond.value_dist_esd
 SY2      C8     O9        double      1.220    0.020
 SY2      H6     C6        single      1.059    0.020
 SY2      H6A    C6        single      1.059    0.020
 SY2      H6B    C6        single      1.059    0.020
 SY2      H5     C5        single      1.059    0.020
 SY2      H5A    C5        single      1.059    0.020
 SY2      H5B    C5        single      1.059    0.020
 SY2      C6     C4        single      1.524    0.020
 SY2      C5     C4        single      1.524    0.020
 SY2      H4     C4        single      1.099    0.020
 SY2      O2     C1        deloc       1.250    0.020
 SY2      O35    C1        deloc       1.250    0.020
 SY2      C1     C3        single      1.500    0.020
 SY2      C4     C3        single      1.524    0.020
 SY2      H3     C3        single      1.099    0.020
 SY2      N7     C8        single      1.330    0.020
 SY2      C3     N7        single      1.450    0.020
 SY2      HN7    N7        single      1.010    0.020
 SY2      N36    C8        single      1.330    0.020
 SY2      C11    N36       single      1.450    0.020
 SY2      HN36   N36       single      1.010    0.020
 SY2      C15    C11       single      1.500    0.020
 SY2      H11    C11       single      1.099    0.020
 SY2      O16    C15       double      1.220    0.020
 SY2      N17    C15       single      1.330    0.020
 SY2      C18    N17       single      1.450    0.020
 SY2      HN17   N17       single      1.010    0.020
 SY2      C18    C34       single      1.524    0.020
 SY2      C19    C18       single      1.500    0.020
 SY2      H18    C18       single      1.099    0.020
 SY2      H34    C34       single      1.092    0.020
 SY2      H34A   C34       single      1.092    0.020
 SY2      C34    C33       single      1.524    0.020
 SY2      C33    C32       single      1.524    0.020
 SY2      H33    C33       single      1.092    0.020
 SY2      H33A   C33       single      1.092    0.020
 SY2      C32    C31       single      1.524    0.020
 SY2      H32    C32       single      1.092    0.020
 SY2      H32A   C32       single      1.092    0.020
 SY2      C31    N30       single      1.450    0.020
 SY2      H31    C31       single      1.092    0.020
 SY2      H31A   C31       single      1.092    0.020
 SY2      N30    C28       single      1.330    0.020
 SY2      HN30   N30       single      1.010    0.020
 SY2      O29    C28       double      1.220    0.020
 SY2      C28    C27       single      1.475    0.020
 SY2      C27    C26       double      1.330    0.020
 SY2      C26    C22       single      1.510    0.020
 SY2      C23    C22       single      1.524    0.020
 SY2      H22    C22       single      1.099    0.020
 SY2      C24    C23       single      1.524    0.020
 SY2      H23    C23       single      1.099    0.020
 SY2      C25    C23       single      1.524    0.020
 SY2      H25    C25       single      1.059    0.020
 SY2      H25A   C25       single      1.059    0.020
 SY2      H25B   C25       single      1.059    0.020
 SY2      H24    C24       single      1.059    0.020
 SY2      H24A   C24       single      1.059    0.020
 SY2      H24B   C24       single      1.059    0.020
 SY2      C22    N21       single      1.450    0.020
 SY2      HN21   N21       single      1.010    0.020
 SY2      N21    C19       single      1.330    0.020
 SY2      O20    C19       double      1.220    0.020
 SY2      C12    C11       single      1.524    0.020
 SY2      C13    C12       single      1.524    0.020
 SY2      H12    C12       single      1.099    0.020
 SY2      C14    C12       single      1.524    0.020
 SY2      H14    C14       single      1.059    0.020
 SY2      H14A   C14       single      1.059    0.020
 SY2      H14B   C14       single      1.059    0.020
 SY2      H13    C13       single      1.059    0.020
 SY2      H13A   C13       single      1.059    0.020
 SY2      H13B   C13       single      1.059    0.020
 SY2      H27    C27       single      1.077    0.020
 SY2      H26    C26       single      1.077    0.020
loop_
_chem_comp_angle.comp_id
_chem_comp_angle.atom_id_1
_chem_comp_angle.atom_id_2
_chem_comp_angle.atom_id_3
_chem_comp_angle.value_angle
_chem_comp_angle.value_angle_esd
 SY2      O9     C8     N7      123.000    3.000
 SY2      O9     C8     N36     123.000    3.000
 SY2      N7     C8     N36     120.000    3.000
 SY2      C8     N7     HN7     120.000    3.000
 SY2      C8     N7     C3      121.500    3.000
 SY2      HN7    N7     C3      118.500    3.000
 SY2      N7     C3     H3      108.550    3.000
 SY2      N7     C3     C1      111.600    3.000
 SY2      N7     C3     C4      110.000    3.000
 SY2      H3     C3     C1      108.810    3.000
 SY2      H3     C3     C4      108.340    3.000
 SY2      C1     C3     C4      109.470    3.000
 SY2      C3     C1     O35     118.500    3.000
 SY2      C3     C1     O2      118.500    3.000
 SY2      O35    C1     O2      123.000    3.000
 SY2      C3     C4     H4      108.340    3.000
 SY2      C3     C4     C5      111.000    3.000
 SY2      C3     C4     C6      111.000    3.000
 SY2      H4     C4     C5      108.340    3.000
 SY2      H4     C4     C6      108.340    3.000
 SY2      C5     C4     C6      111.000    3.000
 SY2      C4     C5     H5B     109.470    3.000
 SY2      C4     C5     H5A     109.470    3.000
 SY2      C4     C5     H5      109.470    3.000
 SY2      H5B    C5     H5A     109.470    3.000
 SY2      H5B    C5     H5      109.470    3.000
 SY2      H5A    C5     H5      109.470    3.000
 SY2      C4     C6     H6B     109.470    3.000
 SY2      C4     C6     H6A     109.470    3.000
 SY2      C4     C6     H6      109.470    3.000
 SY2      H6B    C6     H6A     109.470    3.000
 SY2      H6B    C6     H6      109.470    3.000
 SY2      H6A    C6     H6      109.470    3.000
 SY2      C8     N36    HN36    120.000    3.000
 SY2      C8     N36    C11     121.500    3.000
 SY2      HN36   N36    C11     118.500    3.000
 SY2      N36    C11    H11     108.550    3.000
 SY2      N36    C11    C12     110.000    3.000
 SY2      N36    C11    C15     111.600    3.000
 SY2      H11    C11    C12     108.340    3.000
 SY2      H11    C11    C15     108.810    3.000
 SY2      C12    C11    C15     109.470    3.000
 SY2      C11    C12    H12     108.340    3.000
 SY2      C11    C12    C13     111.000    3.000
 SY2      C11    C12    C14     111.000    3.000
 SY2      H12    C12    C13     108.340    3.000
 SY2      H12    C12    C14     108.340    3.000
 SY2      C13    C12    C14     111.000    3.000
 SY2      C12    C13    H13B    109.470    3.000
 SY2      C12    C13    H13A    109.470    3.000
 SY2      C12    C13    H13     109.470    3.000
 SY2      H13B   C13    H13A    109.470    3.000
 SY2      H13B   C13    H13     109.470    3.000
 SY2      H13A   C13    H13     109.470    3.000
 SY2      C12    C14    H14B    109.470    3.000
 SY2      C12    C14    H14A    109.470    3.000
 SY2      C12    C14    H14     109.470    3.000
 SY2      H14B   C14    H14A    109.470    3.000
 SY2      H14B   C14    H14     109.470    3.000
 SY2      H14A   C14    H14     109.470    3.000
 SY2      C11    C15    O16     120.500    3.000
 SY2      C11    C15    N17     116.500    3.000
 SY2      O16    C15    N17     123.000    3.000
 SY2      C15    N17    HN17    120.000    3.000
 SY2      C15    N17    C18     121.500    3.000
 SY2      HN17   N17    C18     118.500    3.000
 SY2      N17    C18    H18     108.550    3.000
 SY2      N17    C18    C19     111.600    3.000
 SY2      N17    C18    C34     110.000    3.000
 SY2      H18    C18    C19     108.810    3.000
 SY2      H18    C18    C34     108.340    3.000
 SY2      C19    C18    C34     109.470    3.000
 SY2      C18    C19    O20     120.500    3.000
 SY2      C18    C19    N21     116.500    3.000
 SY2      O20    C19    N21     123.000    3.000
 SY2      C19    N21    HN21    120.000    3.000
 SY2      C19    N21    C22     121.500    3.000
 SY2      HN21   N21    C22     118.500    3.000
 SY2      N21    C22    H22     108.550    3.000
 SY2      N21    C22    C23     110.000    3.000
 SY2      N21    C22    C26     111.600    3.000
 SY2      H22    C22    C23     108.340    3.000
 SY2      H22    C22    C26     108.810    3.000
 SY2      C23    C22    C26     109.470    3.000
 SY2      C22    C23    H23     108.340    3.000
 SY2      C22    C23    C24     111.000    3.000
 SY2      C22    C23    C25     111.000    3.000
 SY2      H23    C23    C24     108.340    3.000
 SY2      H23    C23    C25     108.340    3.000
 SY2      C24    C23    C25     111.000    3.000
 SY2      C23    C24    H24B    109.470    3.000
 SY2      C23    C24    H24A    109.470    3.000
 SY2      C23    C24    H24     109.470    3.000
 SY2      H24B   C24    H24A    109.470    3.000
 SY2      H24B   C24    H24     109.470    3.000
 SY2      H24A   C24    H24     109.470    3.000
 SY2      C23    C25    H25B    109.470    3.000
 SY2      C23    C25    H25A    109.470    3.000
 SY2      C23    C25    H25     109.470    3.000
 SY2      H25B   C25    H25A    109.470    3.000
 SY2      H25B   C25    H25     109.470    3.000
 SY2      H25A   C25    H25     109.470    3.000
 SY2      C22    C26    H26     120.000    3.000
 SY2      C22    C26    C27     120.000    3.000
 SY2      H26    C26    C27     120.000    3.000
 SY2      C26    C27    H27     120.000    3.000
 SY2      C26    C27    C28     120.000    3.000
 SY2      H27    C27    C28     120.000    3.000
 SY2      C27    C28    O29     120.500    3.000
 SY2      C27    C28    N30     120.000    3.000
 SY2      O29    C28    N30     123.000    3.000
 SY2      C28    N30    HN30    120.000    3.000
 SY2      C28    N30    C31     121.500    3.000
 SY2      HN30   N30    C31     118.500    3.000
 SY2      N30    C31    H31     109.470    3.000
 SY2      N30    C31    H31A    109.470    3.000
 SY2      N30    C31    C32     112.000    3.000
 SY2      H31    C31    H31A    107.900    3.000
 SY2      H31    C31    C32     109.470    3.000
 SY2      H31A   C31    C32     109.470    3.000
 SY2      C31    C32    H32     109.470    3.000
 SY2      C31    C32    H32A    109.470    3.000
 SY2      C31    C32    C33     111.000    3.000
 SY2      H32    C32    H32A    107.900    3.000
 SY2      H32    C32    C33     109.470    3.000
 SY2      H32A   C32    C33     109.470    3.000
 SY2      C32    C33    H33     109.470    3.000
 SY2      C32    C33    H33A    109.470    3.000
 SY2      C32    C33    C34     111.000    3.000
 SY2      H33    C33    H33A    107.900    3.000
 SY2      H33    C33    C34     109.470    3.000
 SY2      H33A   C33    C34     109.470    3.000
 SY2      C33    C34    H34A    109.470    3.000
 SY2      C33    C34    H34     109.470    3.000
 SY2      C33    C34    C18     111.000    3.000
 SY2      H34A   C34    H34     107.900    3.000
 SY2      H34A   C34    C18     109.470    3.000
 SY2      H34    C34    C18     109.470    3.000
loop_
_chem_comp_tor.comp_id
_chem_comp_tor.id
_chem_comp_tor.atom_id_1
_chem_comp_tor.atom_id_2
_chem_comp_tor.atom_id_3
_chem_comp_tor.atom_id_4
_chem_comp_tor.value_angle
_chem_comp_tor.value_angle_esd
_chem_comp_tor.period
 SY2      CONST_1  O9     C8     N7     C3         0.000    0.000   0
 SY2      var_1    C8     N7     C3     C4        85.037   20.000   3
 SY2      var_2    N7     C3     C1     O2         0.028   20.000   3
 SY2      var_3    N7     C3     C4     C6       179.992   20.000   3
 SY2      var_4    C3     C4     C5     H5       -59.951   20.000   3
 SY2      var_5    C3     C4     C6     H6       179.999   20.000   3
 SY2      CONST_2  O9     C8     N36    C11        0.000    0.000   0
 SY2      var_6    C8     N36    C11    C15     -154.995   20.000   3
 SY2      var_7    N36    C11    C12    C14     -176.533   20.000   3
 SY2      var_8    C11    C12    C13    H13       59.975   20.000   3
 SY2      var_9    C11    C12    C14    H14       63.152   20.000   3
 SY2      var_10   N36    C11    C15    N17      150.655   20.000   3
 SY2      CONST_3  C11    C15    N17    C18      180.000    0.000   0
 SY2      var_11   C15    N17    C18    C19      -81.740   20.000   3
 SY2      var_12   N17    C18    C34    C33       92.090   20.000   3
 SY2      var_13   N17    C18    C19    N21        9.403   20.000   3
 SY2      CONST_4  C18    C19    N21    C22      180.000    0.000   0
 SY2      var_14   C19    N21    C22    C26       42.515   20.000   3
 SY2      var_15   N21    C22    C23    C25     -179.682   20.000   3
 SY2      var_16   C22    C23    C24    H24       59.965   20.000   3
 SY2      var_17   C22    C23    C25    H25       63.351   20.000   3
 SY2      var_18   N21    C22    C26    C27       44.180   20.000   1
 SY2      CONST_5  C22    C26    C27    C28     -170.477    0.000   0
 SY2      var_19   C26    C27    C28    N30      165.766   20.000   1
 SY2      CONST_6  C27    C28    N30    C31        0.000    0.000   0
 SY2      var_20   C28    N30    C31    C32      -65.264   20.000   3
 SY2      var_21   N30    C31    C32    C33      -14.787   20.000   3
 SY2      var_22   C31    C32    C33    C34     -178.118   20.000   3
 SY2      var_23   C32    C33    C34    C18      -74.741   20.000   3
loop_
_chem_comp_chir.comp_id
_chem_comp_chir.id
_chem_comp_chir.atom_id_centre
_chem_comp_chir.atom_id_1
_chem_comp_chir.atom_id_2
_chem_comp_chir.atom_id_3
_chem_comp_chir.volume_sign
 SY2      chir_01  C4     C6     C5     C3        negativ
 SY2      chir_02  C3     C4     C1     N7        negativ
 SY2      chir_03  C11    N36    C15    C12       positiv
 SY2      chir_04  C18    N17    C34    C19       negativ
 SY2      chir_05  C22    C26    C23    N21       positiv
 SY2      chir_06  C23    C22    C25    C24       negativ
 SY2      chir_07  C12    C11    C14    C13       negativ
loop_
_chem_comp_plane_atom.comp_id
_chem_comp_plane_atom.plane_id
_chem_comp_plane_atom.atom_id
_chem_comp_plane_atom.dist_esd
 SY2      plan-1    C8        0.020
 SY2      plan-1    N7        0.020
 SY2      plan-1    N36       0.020
 SY2      plan-1    O9        0.020
 SY2      plan-1    HN7       0.020
 SY2      plan-1    HN36      0.020
 SY2      plan-2    C1        0.020
 SY2      plan-2    O2        0.020
 SY2      plan-2    C3        0.020
 SY2      plan-2    O35       0.020
 SY2      plan-3    N7        0.020
 SY2      plan-3    C8        0.020
 SY2      plan-3    C3        0.020
 SY2      plan-3    HN7       0.020
 SY2      plan-4    N36       0.020
 SY2      plan-4    C8        0.020
 SY2      plan-4    C11       0.020
 SY2      plan-4    HN36      0.020
 SY2      plan-5    C15       0.020
 SY2      plan-5    C11       0.020
 SY2      plan-5    N17       0.020
 SY2      plan-5    O16       0.020
 SY2      plan-5    HN17      0.020
 SY2      plan-6    N17       0.020
 SY2      plan-6    C15       0.020
 SY2      plan-6    C18       0.020
 SY2      plan-6    HN17      0.020
 SY2      plan-7    N30       0.020
 SY2      plan-7    C31       0.020
 SY2      plan-7    C28       0.020
 SY2      plan-7    HN30      0.020
 SY2      plan-8    C28       0.020
 SY2      plan-8    N30       0.020
 SY2      plan-8    O29       0.020
 SY2      plan-8    C27       0.020
 SY2      plan-8    HN30      0.020
 SY2      plan-8    H27       0.020
 SY2      plan-9    C27       0.020
 SY2      plan-9    C28       0.020
 SY2      plan-9    C26       0.020
 SY2      plan-9    H27       0.020
 SY2      plan-9    C22       0.020
 SY2      plan-9    H26       0.020
 SY2      plan-10   N21       0.020
 SY2      plan-10   C22       0.020
 SY2      plan-10   C19       0.020
 SY2      plan-10   HN21      0.020
 SY2      plan-11   C19       0.020
 SY2      plan-11   C18       0.020
 SY2      plan-11   N21       0.020
 SY2      plan-11   O20       0.020
 SY2      plan-11   HN21      0.020
# ------------------------------------------------------