#
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
AR1      AR1 '(2-{[4-({4-[(4-FORMYLAMINO-1-METHYL-' non-polymer        63  35 M
#
data_comp_AR1
#
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
 AR1           CA     C    .         0.000
 AR1           OA     O    .         0.000
 AR1           N1     N    .         0.000
 AR1           C11    C    .         0.000
 AR1           N21    N    .         0.000
 AR1           C31    C    .         0.000
 AR1           N41    N    .         0.000
 AR1           CN1    C    .         0.000
 AR1           C51    C    .         0.000
 AR1           C1     C    .         0.000
 AR1           O1     O    .         0.000
 AR1           N2     N    .         0.000
 AR1           C12    C    .         0.000
 AR1           N22    N    .         0.000
 AR1           C32    C    .         0.000
 AR1           N42    N    .         0.000
 AR1           CN2    C    .         0.000
 AR1           C52    C    .         0.000
 AR1           C2     C    .         0.000
 AR1           O2     O    .         0.000
 AR1           N3     N    .         0.000
 AR1           C13    C    .         0.000
 AR1           N23    N    .         0.000
 AR1           C33    C    .         0.000
 AR1           N43    N    .         0.000
 AR1           CN3    C    .         0.000
 AR1           C53    C    .         0.000
 AR1           C3     C    .         0.000
 AR1           O3     O    .         0.000
 AR1           NT     N    .         0.000
 AR1           C1T    C    .         0.000
 AR1           C2T    C    .         0.000
 AR1           N3T    N    .         1.000
 AR1           CNT    C    .         0.000
 AR1           CMT    C    .         0.000
 AR1           HA     H    .         0.000
 AR1           HN1    H    .         0.000
 AR1           HN11   H    .         0.000
 AR1           HN12   H    .         0.000
 AR1           HN13   H    .         0.000
 AR1           H51    H    .         0.000
 AR1           HN2    H    .         0.000
 AR1           HN21   H    .         0.000
 AR1           HN22   H    .         0.000
 AR1           HN23   H    .         0.000
 AR1           H52    H    .         0.000
 AR1           HN3    H    .         0.000
 AR1           HN31   H    .         0.000
 AR1           HN32   H    .         0.000
 AR1           HN33   H    .         0.000
 AR1           H53    H    .         0.000
 AR1           HT     H    .         0.000
 AR1           H1T1   H    .         0.000
 AR1           H1T2   H    .         0.000
 AR1           H2T1   H    .         0.000
 AR1           H2T2   H    .         0.000
 AR1           HNT    H    .         0.000
 AR1           HNT1   H    .         0.000
 AR1           HNT2   H    .         0.000
 AR1           HNT3   H    .         0.000
 AR1           HMT1   H    .         0.000
 AR1           HMT2   H    .         0.000
 AR1           HMT3   H    .         0.000
loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.type
 AR1        CA     HA        single
 AR1        CA     OA        double
 AR1        CA     N1        single
 AR1        N1     HN1       single
 AR1        N1     C11       single
 AR1        C11    N21       single
 AR1        C11    C51       double
 AR1        N21    C31       double
 AR1        C31    N41       single
 AR1        C31    C1        single
 AR1        N41    CN1       single
 AR1        N41    C51       single
 AR1        CN1    HN11      single
 AR1        CN1    HN12      single
 AR1        CN1    HN13      single
 AR1        C51    H51       single
 AR1        C1     O1        double
 AR1        C1     N2        single
 AR1        N2     HN2       single
 AR1        N2     C12       single
 AR1        C12    N22       single
 AR1        C12    C52       double
 AR1        N22    C32       double
 AR1        C32    N42       single
 AR1        C32    C2        single
 AR1        N42    CN2       single
 AR1        N42    C52       single
 AR1        CN2    HN21      single
 AR1        CN2    HN22      single
 AR1        CN2    HN23      single
 AR1        C52    H52       single
 AR1        C2     O2        double
 AR1        C2     N3        single
 AR1        N3     HN3       single
 AR1        N3     C13       single
 AR1        C13    N23       single
 AR1        C13    C53       double
 AR1        N23    C33       double
 AR1        C33    N43       single
 AR1        C33    C3        single
 AR1        N43    CN3       single
 AR1        N43    C53       single
 AR1        CN3    HN31      single
 AR1        CN3    HN32      single
 AR1        CN3    HN33      single
 AR1        C53    H53       single
 AR1        C3     O3        double
 AR1        C3     NT        single
 AR1        NT     HT        single
 AR1        NT     C1T       single
 AR1        C1T    H1T1      single
 AR1        C1T    H1T2      single
 AR1        C1T    C2T       single
 AR1        C2T    H2T1      single
 AR1        C2T    H2T2      single
 AR1        C2T    N3T       single
 AR1        N3T    CNT       single
 AR1        N3T    CMT       single
 AR1        N3T    HNT       single
 AR1        CNT    HNT1      single
 AR1        CNT    HNT2      single
 AR1        CNT    HNT3      single
 AR1        CMT    HMT1      single
 AR1        CMT    HMT2      single
 AR1        CMT    HMT3      single