55N
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OBA | CBB | doub | 1.21Å | 1.24Å | |
CBB | CBC | sing | 1.51Å | 1.57Å | |
CBB | OAZ | sing | 1.34Å | 1.43Å | |
CAY | CAS | sing | 1.51Å | 1.51Å | |
CAS | OAZ | sing | 1.45Å | 1.47Å | |
CAS | CAR | sing | 1.53Å | 1.55Å | |
CAU | NAP | sing | 1.47Å | 1.46Å | |
NAP | CAQ | sing | 1.47Å | 1.47Å | |
CAR | CAQ | sing | 1.53Å | 1.54Å | |
CAQ | CAV | sing | 1.53Å | 1.57Å | |
CAV | CAX | sing | 1.53Å | 1.51Å | |
CAV | CAW | sing | 1.53Å | 1.49Å | |
CAU | H25 | sing | 1.09Å | 1.10Å | |
CAU | H26 | sing | 1.09Å | 1.10Å | |
CAU | H27 | sing | 1.09Å | 1.10Å | |
CAQ | H28 | sing | 1.09Å | 1.10Å | |
CAV | H29 | sing | 1.09Å | 1.10Å | |
CAX | H30 | sing | 1.09Å | 1.10Å | |
CAX | H31 | sing | 1.09Å | 1.10Å | |
CAX | H32 | sing | 1.09Å | 1.10Å | |
CAW | H33 | sing | 1.09Å | 1.10Å | |
CAW | H34 | sing | 1.09Å | 1.10Å | |
CAW | H35 | sing | 1.09Å | 1.10Å | |
CAR | H36 | sing | 1.09Å | 1.10Å | |
CAR | H37 | sing | 1.09Å | 1.10Å | |
CAS | H38 | sing | 1.09Å | 1.10Å | |
CBC | H39 | sing | 1.09Å | 1.10Å | |
CBC | H40 | sing | 1.09Å | 1.10Å | |
CBC | H41 | sing | 1.09Å | 1.10Å | |
NAP | H1 | sing | 1.01Å | 1.00Å | |
CAY | OXT | sing | 1.34Å | 30.96Å | |
OXT | HXT | sing | 0.97Å | 0.00Å | |
CAY | O | doub | 1.21Å | 30.96Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OBA | CBB | CBC | 117.7° | 120.0° |
OBA | CBB | OAZ | 126.0° | 120.0° |
CBC | CBB | OAZ | 116.3° | 120.0° |
CBB | CBC | H39 | 109.5° | 109.5° |
CBB | CBC | H40 | 109.5° | 109.5° |
CBB | CBC | H41 | 109.5° | 109.4° |
CBB | OAZ | CAS | 125.6° | 117.0° |
CAY | CAS | OAZ | 106.1° | 109.4° |
CAY | CAS | CAR | 117.1° | 109.5° |
CAY | CAS | H38 | 107.7° | 109.5° |
CAS | CAY | OXT | 154.3° | 120.0° |
CAS | CAY | O | 154.3° | 120.1° |
OAZ | CAS | CAR | 110.1° | 109.5° |
OAZ | CAS | H38 | 108.3° | 109.5° |
CAS | CAR | CAQ | 105.0° | 109.5° |
CAS | CAR | H36 | 110.5° | 109.5° |
CAS | CAR | H37 | 110.6° | 109.4° |
CAR | CAS | H38 | 107.2° | 109.5° |
CAU | NAP | CAQ | 118.5° | 111.0° |
NAP | CAU | H25 | 109.5° | 109.5° |
NAP | CAU | H26 | 109.4° | 109.4° |
NAP | CAU | H27 | 109.5° | 109.5° |
CAU | NAP | H1 | 107.2° | 111.0° |
NAP | CAQ | CAR | 112.1° | 109.5° |
NAP | CAQ | CAV | 116.4° | 109.5° |
NAP | CAQ | H28 | 102.6° | 109.5° |
CAQ | NAP | H1 | 107.2° | 111.0° |
CAR | CAQ | CAV | 118.6° | 109.5° |
CAR | CAQ | H28 | 102.1° | 109.5° |
CAQ | CAR | H36 | 110.6° | 109.5° |
CAQ | CAR | H37 | 110.6° | 109.5° |
CAQ | CAV | CAX | 116.6° | 109.5° |
CAQ | CAV | CAW | 112.9° | 109.5° |
CAV | CAQ | H28 | 101.8° | 109.4° |
CAQ | CAV | H29 | 104.3° | 109.4° |
CAX | CAV | CAW | 111.8° | 109.5° |
CAX | CAV | H29 | 104.8° | 109.5° |
CAV | CAX | H30 | 109.5° | 109.4° |
CAV | CAX | H31 | 109.5° | 109.5° |
CAV | CAX | H32 | 109.5° | 109.5° |
CAW | CAV | H29 | 105.0° | 109.5° |
CAV | CAW | H33 | 109.5° | 109.5° |
CAV | CAW | H34 | 109.5° | 109.5° |
CAV | CAW | H35 | 109.5° | 109.5° |
H25 | CAU | H26 | 109.5° | 109.4° |
H25 | CAU | H27 | 109.5° | 109.4° |
H26 | CAU | H27 | 109.5° | 109.5° |
H30 | CAX | H31 | 109.5° | 109.5° |
H30 | CAX | H32 | 109.4° | 109.5° |
H31 | CAX | H32 | 109.5° | 109.4° |
H33 | CAW | H34 | 109.5° | 109.5° |
H33 | CAW | H35 | 109.4° | 109.5° |
H34 | CAW | H35 | 109.5° | 109.4° |
H36 | CAR | H37 | 109.5° | 109.5° |
H39 | CBC | H40 | 109.5° | 109.5° |
H39 | CBC | H41 | 109.5° | 109.5° |
H40 | CBC | H41 | 109.4° | 109.5° |
CAY | OXT | HXT | 90.0° | 117.0° |
OXT | CAY | O | 0.0° | 119.9° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OBA | CBB | CBC | OAZ | 177.6° | 179.9° |
OBA | CBB | OAZ | CAS | 14.6° | 0.1° |
OBA | CBB | CBC | H39 | 0.0° | 180.0° |
OBA | CBB | CBC | H40 | 120.0° | 60.0° |
OBA | CBB | CBC | H41 | 120.0° | 60.0° |
CBC | CBB | OAZ | CAS | 168.0° | 180.0° |
CBB | CBC | H39 | H40 | 120.0° | 120.0° |
CBB | CBC | H39 | H41 | 120.0° | 120.0° |
CBB | CBC | H40 | H41 | 120.0° | 120.0° |
CBB | OAZ | CAS | CAY | 43.7° | 90.0° |
CBB | OAZ | CAS | CAR | 171.4° | 149.9° |
CBB | OAZ | CAS | H38 | 71.7° | 29.9° |
OAZ | CBB | CBC | H39 | 177.6° | 0.0° |
OAZ | CBB | CBC | H40 | 62.4° | 120.0° |
OAZ | CBB | CBC | H41 | 57.6° | 120.0° |
CAY | CAS | OAZ | CAR | 127.6° | 120.0° |
CAY | CAS | OAZ | H38 | 115.4° | 120.0° |
CAY | CAS | CAR | H38 | 121.1° | 120.1° |
CAY | CAS | CAR | CAQ | 164.9° | 175.0° |
CAY | CAS | CAR | H36 | 75.8° | 65.0° |
CAY | CAS | CAR | H37 | 45.6° | 55.0° |
CAS | CAY | OXT | O | 90.0° | 180.0° |
CAS | CAY | OXT | HXT | 90.0° | 180.0° |
OAZ | CAS | CAR | H38 | 117.6° | 120.0° |
OAZ | CAS | CAR | CAQ | 43.6° | 65.0° |
OAZ | CAS | CAR | H36 | 162.9° | 55.0° |
OAZ | CAS | CAR | H37 | 75.7° | 175.0° |
OAZ | CAS | CAY | OXT | 0.9° | 175.0° |
OAZ | CAS | CAY | O | 0.9° | 5.0° |
CAS | CAR | CAQ | NAP | 67.7° | 65.0° |
CAS | CAR | CAQ | H36 | 119.3° | 120.0° |
CAS | CAR | CAQ | H37 | 119.3° | 119.9° |
CAS | CAR | CAQ | CAV | 152.2° | 175.0° |
CAS | CAR | CAQ | H28 | 41.4° | 55.0° |
CAS | CAR | H36 | H37 | 122.0° | 119.9° |
CAR | CAS | CAY | OXT | 124.3° | 65.0° |
CAR | CAS | CAY | O | 124.3° | 115.0° |
CAU | NAP | CAQ | H1 | 121.3° | 124.0° |
CAU | NAP | CAQ | CAR | 39.9° | 60.0° |
CAU | NAP | CAQ | CAV | 101.2° | 60.1° |
NAP | CAU | H25 | H26 | 120.0° | 120.0° |
NAP | CAU | H25 | H27 | 120.0° | 120.0° |
NAP | CAU | H26 | H27 | 120.0° | 120.1° |
CAU | NAP | CAQ | H28 | 148.6° | 180.0° |
NAP | CAQ | CAR | CAV | 140.1° | 120.0° |
NAP | CAQ | CAR | H28 | 109.1° | 120.0° |
NAP | CAQ | CAV | H28 | 110.7° | 120.0° |
NAP | CAQ | CAV | CAX | 5.4° | 174.6° |
NAP | CAQ | CAV | CAW | 137.0° | 54.6° |
CAQ | NAP | CAU | H25 | 180.0° | 178.2° |
CAQ | NAP | CAU | H26 | 60.0° | 61.9° |
CAQ | NAP | CAU | H27 | 60.0° | 58.2° |
NAP | CAQ | CAV | H29 | 109.6° | 65.4° |
NAP | CAQ | CAR | H36 | 51.5° | 175.0° |
NAP | CAQ | CAR | H37 | 173.0° | 54.9° |
CAR | CAQ | CAV | H28 | 110.9° | 120.0° |
CAR | CAQ | CAV | CAX | 133.0° | 65.3° |
CAR | CAQ | CAV | CAW | 1.4° | 174.6° |
CAR | CAQ | CAV | H29 | 112.0° | 54.6° |
CAQ | CAR | H36 | H37 | 122.1° | 120.0° |
CAQ | CAR | CAS | H38 | 74.0° | 54.9° |
CAR | CAQ | NAP | H1 | 81.4° | 64.0° |
CAQ | CAV | CAX | CAW | 132.0° | 120.0° |
CAQ | CAV | CAX | H29 | 114.7° | 119.9° |
CAQ | CAV | CAW | H29 | 113.0° | 120.0° |
CAQ | CAV | CAX | H30 | 180.0° | 60.0° |
CAQ | CAV | CAX | H31 | 60.0° | 180.0° |
CAQ | CAV | CAX | H32 | 60.0° | 60.0° |
CAQ | CAV | CAW | H33 | 180.0° | 56.0° |
CAQ | CAV | CAW | H34 | 60.0° | 176.0° |
CAQ | CAV | CAW | H35 | 60.0° | 64.0° |
CAV | CAQ | CAR | H36 | 88.6° | 55.0° |
CAV | CAQ | CAR | H37 | 32.9° | 65.1° |
CAV | CAQ | NAP | H1 | 137.5° | 176.0° |
CAX | CAV | CAW | H29 | 113.1° | 120.0° |
CAX | CAV | CAQ | H28 | 116.1° | 54.6° |
CAV | CAX | H30 | H31 | 120.0° | 120.0° |
CAV | CAX | H30 | H32 | 120.0° | 120.0° |
CAV | CAX | H31 | H32 | 120.0° | 120.0° |
CAX | CAV | CAW | H33 | 46.1° | 176.0° |
CAX | CAV | CAW | H34 | 73.9° | 64.0° |
CAX | CAV | CAW | H35 | 166.1° | 56.0° |
CAW | CAV | CAQ | H28 | 112.3° | 65.4° |
CAW | CAV | CAX | H30 | 47.9° | 60.0° |
CAW | CAV | CAX | H31 | 168.0° | 60.0° |
CAW | CAV | CAX | H32 | 72.0° | 180.0° |
CAV | CAW | H33 | H34 | 120.0° | 120.0° |
CAV | CAW | H33 | H35 | 120.0° | 120.0° |
CAV | CAW | H34 | H35 | 120.0° | 119.9° |
H25 | CAU | H26 | H27 | 120.0° | 119.9° |
H25 | CAU | NAP | H1 | 58.7° | 57.9° |
H26 | CAU | NAP | H1 | 61.3° | 62.1° |
H27 | CAU | NAP | H1 | 178.7° | 177.9° |
H28 | CAQ | CAV | H29 | 1.1° | 174.6° |
H28 | CAQ | CAR | H36 | 160.6° | 65.0° |
H28 | CAQ | CAR | H37 | 77.9° | 175.0° |
H28 | CAQ | NAP | H1 | 27.3° | 56.0° |
H29 | CAV | CAX | H30 | 65.3° | 179.9° |
H29 | CAV | CAX | H31 | 54.7° | 60.0° |
H29 | CAV | CAX | H32 | 174.7° | 59.9° |
H29 | CAV | CAW | H33 | 67.0° | 64.0° |
H29 | CAV | CAW | H34 | 173.0° | 56.1° |
H29 | CAV | CAW | H35 | 53.0° | 176.0° |
H30 | CAX | H31 | H32 | 120.0° | 120.0° |
H33 | CAW | H34 | H35 | 119.9° | 120.0° |
H36 | CAR | CAS | H38 | 45.3° | 175.0° |
H37 | CAR | CAS | H38 | 166.7° | 65.0° |
H38 | CAS | CAY | OXT | 114.9° | 55.0° |
H38 | CAS | CAY | O | 114.9° | 125.0° |
H39 | CBC | H40 | H41 | 120.0° | 120.1° |
HXT | OXT | CAY | O | 90.0° | 0.0° |