8UX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAI | NAM | sing | 1.37Å | 1.32Å | Aromatic |
| CAI | CAT | doub | 1.35Å | 1.33Å | Aromatic |
| CAL | CAT | sing | 1.51Å | 1.53Å | |
| CAL | CAW | sing | 1.53Å | 1.51Å | |
| NAM | CAH | sing | 1.35Å | 1.33Å | Aromatic |
| CAT | NAP | sing | 1.34Å | 1.34Å | Aromatic |
| CAW | NAN | sing | 1.47Å | 1.48Å | |
| CAW | CAS | sing | 1.51Å | 1.55Å | |
| CAH | NAP | doub | 1.30Å | 1.34Å | Aromatic |
| NAN | CAJ | sing | 1.47Å | 1.48Å | |
| OAD | CAS | doub | 1.21Å | 1.26Å | |
| CAS | OAG | sing | 1.34Å | 1.25Å | |
| CAJ | CAK | sing | 1.53Å | 1.53Å | |
| OAC | CAR | doub | 1.21Å | 1.24Å | |
| CAK | CAV | sing | 1.53Å | 1.54Å | |
| OAF | CAR | sing | 1.34Å | 1.26Å | |
| CAR | CAV | sing | 1.51Å | 1.52Å | |
| CAV | N | sing | 1.47Å | 1.52Å | |
| OXT | C | doub | 1.21Å | 1.28Å | |
| N | CA | sing | 1.47Å | 1.47Å | |
| C | CA | sing | 1.51Å | 1.53Å | |
| C | O | sing | 1.34Å | 1.23Å | |
| CA | CB | sing | 1.53Å | 1.55Å | |
| O | H1 | sing | 0.97Å | 0.95Å | |
| CA | H2 | sing | 1.09Å | 1.10Å | |
| CB | H3 | sing | 1.09Å | 1.10Å | |
| CB | H4 | sing | 1.09Å | 1.10Å | |
| CB | H5 | sing | 1.09Å | 1.10Å | |
| N | H6 | sing | 1.01Å | 1.00Å | |
| CAV | H8 | sing | 1.09Å | 1.10Å | |
| OAF | H9 | sing | 0.97Å | 0.95Å | |
| CAK | H10 | sing | 1.09Å | 1.10Å | |
| CAK | H11 | sing | 1.09Å | 1.10Å | |
| CAJ | H12 | sing | 1.09Å | 1.10Å | |
| CAJ | H13 | sing | 1.09Å | 1.10Å | |
| NAN | H14 | sing | 1.01Å | 1.00Å | |
| CAW | H16 | sing | 1.09Å | 1.10Å | |
| OAG | H17 | sing | 0.97Å | 0.95Å | |
| CAL | H18 | sing | 1.09Å | 1.10Å | |
| CAL | H19 | sing | 1.09Å | 1.10Å | |
| CAI | H20 | sing | 1.08Å | 1.08Å | |
| NAM | H21 | sing | 0.97Å | 1.00Å | |
| CAH | H22 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAM | CAI | CAT | 107.5° | 106.8° |
| CAI | NAM | CAH | 109.0° | 107.2° |
| NAM | CAI | H20 | 126.2° | 126.6° |
| CAI | NAM | H21 | 125.5° | 126.4° |
| CAI | CAT | CAL | 121.2° | 126.0° |
| CAI | CAT | NAP | 108.8° | 108.0° |
| CAT | CAI | H20 | 126.3° | 126.6° |
| CAT | CAL | CAW | 111.9° | 109.5° |
| CAL | CAT | NAP | 130.1° | 126.0° |
| CAT | CAL | H18 | 108.9° | 109.5° |
| CAT | CAL | H19 | 108.8° | 109.5° |
| CAL | CAW | NAN | 108.9° | 109.5° |
| CAL | CAW | CAS | 113.1° | 109.5° |
| CAL | CAW | H16 | 106.2° | 109.5° |
| CAW | CAL | H18 | 108.8° | 109.4° |
| CAW | CAL | H19 | 108.8° | 109.5° |
| NAM | CAH | NAP | 108.1° | 108.7° |
| CAH | NAM | H21 | 125.6° | 126.4° |
| NAM | CAH | H22 | 125.9° | 125.6° |
| CAT | NAP | CAH | 106.6° | 109.2° |
| NAN | CAW | CAS | 115.6° | 109.5° |
| CAW | NAN | CAJ | 117.4° | 111.0° |
| CAW | NAN | H14 | 107.4° | 111.0° |
| NAN | CAW | H16 | 106.6° | 109.5° |
| CAW | CAS | OAD | 115.7° | 120.0° |
| CAW | CAS | OAG | 118.9° | 120.0° |
| CAS | CAW | H16 | 105.8° | 109.5° |
| NAP | CAH | H22 | 125.9° | 125.7° |
| NAN | CAJ | CAK | 112.8° | 109.5° |
| NAN | CAJ | H12 | 108.6° | 109.5° |
| NAN | CAJ | H13 | 108.6° | 109.5° |
| CAJ | NAN | H14 | 107.5° | 111.0° |
| OAD | CAS | OAG | 125.3° | 120.0° |
| CAS | OAG | H17 | 109.5° | 117.0° |
| CAJ | CAK | CAV | 111.9° | 109.5° |
| CAJ | CAK | H10 | 108.9° | 109.5° |
| CAJ | CAK | H11 | 108.8° | 109.5° |
| CAK | CAJ | H12 | 108.6° | 109.5° |
| CAK | CAJ | H13 | 108.6° | 109.4° |
| OAC | CAR | OAF | 126.4° | 120.0° |
| OAC | CAR | CAV | 115.0° | 120.0° |
| CAK | CAV | CAR | 105.5° | 109.5° |
| CAK | CAV | N | 116.0° | 109.5° |
| CAK | CAV | H8 | 107.5° | 109.5° |
| CAV | CAK | H10 | 108.8° | 109.5° |
| CAV | CAK | H11 | 108.9° | 109.5° |
| OAF | CAR | CAV | 118.0° | 120.0° |
| CAR | OAF | H9 | 109.5° | 117.0° |
| CAR | CAV | N | 112.1° | 109.5° |
| CAR | CAV | H8 | 107.7° | 109.5° |
| CAV | N | CA | 123.2° | 111.0° |
| CAV | N | H6 | 105.9° | 111.0° |
| N | CAV | H8 | 107.8° | 109.4° |
| OXT | C | CA | 119.0° | 120.0° |
| OXT | C | O | 125.7° | 120.1° |
| N | CA | C | 109.1° | 109.5° |
| N | CA | CB | 111.6° | 109.5° |
| N | CA | H2 | 108.1° | 109.5° |
| CA | N | H6 | 105.9° | 111.0° |
| CA | C | O | 115.3° | 120.0° |
| C | CA | CB | 113.1° | 109.5° |
| C | CA | H2 | 107.5° | 109.5° |
| C | O | H1 | 109.5° | 117.0° |
| CB | CA | H2 | 107.2° | 109.5° |
| CA | CB | H3 | 109.5° | 109.5° |
| CA | CB | H4 | 109.5° | 109.5° |
| CA | CB | H5 | 109.5° | 109.5° |
| H3 | CB | H4 | 109.4° | 109.4° |
| H3 | CB | H5 | 109.5° | 109.5° |
| H4 | CB | H5 | 109.5° | 109.5° |
| H10 | CAK | H11 | 109.5° | 109.4° |
| H12 | CAJ | H13 | 109.5° | 109.4° |
| H18 | CAL | H19 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAM | CAI | CAT | H20 | 180.0° | 179.9° |
| NAM | CAI | CAT | CAL | 178.5° | 180.0° |
| CAI | NAM | CAH | H21 | 180.0° | 179.9° |
| NAM | CAI | CAT | NAP | 0.3° | 0.3° |
| CAI | NAM | CAH | NAP | 2.0° | 0.2° |
| CAI | NAM | CAH | H22 | 178.0° | 180.0° |
| CAI | CAT | CAL | NAP | 178.5° | 179.7° |
| CAI | CAT | CAL | CAW | 175.2° | 125.3° |
| CAT | CAI | NAM | CAH | 1.4° | 0.0° |
| CAI | CAT | NAP | CAH | 0.9° | 0.4° |
| CAI | CAT | CAL | H18 | 64.4° | 5.3° |
| CAI | CAT | CAL | H19 | 54.8° | 114.7° |
| CAT | CAI | NAM | H21 | 178.6° | 180.0° |
| CAT | CAL | CAW | H18 | 120.4° | 120.0° |
| CAT | CAL | CAW | H19 | 120.3° | 120.0° |
| CAT | CAL | CAW | NAN | 62.9° | 65.0° |
| CAT | CAL | CAW | CAS | 67.0° | 175.0° |
| CAL | CAT | NAP | CAH | 179.6° | 179.9° |
| CAT | CAL | CAW | H16 | 177.4° | 55.0° |
| CAT | CAL | H18 | H19 | 118.9° | 120.1° |
| CAL | CAT | CAI | H20 | 1.5° | 0.1° |
| CAW | CAL | CAT | NAP | 3.3° | 55.1° |
| CAL | CAW | NAN | CAS | 128.5° | 120.0° |
| CAL | CAW | NAN | H16 | 114.2° | 120.0° |
| CAL | CAW | CAS | H16 | 115.9° | 120.0° |
| CAL | CAW | NAN | CAJ | 166.0° | 155.0° |
| CAL | CAW | CAS | OAD | 73.1° | 120.0° |
| CAL | CAW | CAS | OAG | 102.8° | 60.0° |
| CAL | CAW | NAN | H14 | 44.9° | 31.1° |
| CAW | CAL | H18 | H19 | 118.9° | 120.0° |
| NAM | CAH | NAP | CAT | 1.7° | 0.4° |
| NAM | CAH | NAP | H22 | 180.0° | 179.8° |
| CAH | NAM | CAI | H20 | 178.6° | 180.0° |
| NAP | CAT | CAL | H18 | 117.0° | 175.0° |
| NAP | CAT | CAL | H19 | 123.7° | 65.0° |
| NAP | CAT | CAI | H20 | 179.7° | 179.8° |
| CAT | NAP | CAH | H22 | 178.2° | 179.8° |
| NAN | CAW | CAS | H16 | 117.7° | 120.0° |
| CAW | NAN | CAJ | H14 | 121.1° | 123.9° |
| NAN | CAW | CAS | OAD | 160.4° | 0.0° |
| NAN | CAW | CAS | OAG | 23.6° | 180.0° |
| CAW | NAN | CAJ | CAK | 170.9° | 180.0° |
| CAW | NAN | CAJ | H12 | 50.3° | 60.0° |
| CAW | NAN | CAJ | H13 | 68.7° | 60.0° |
| NAN | CAW | CAL | H18 | 176.7° | 175.0° |
| NAN | CAW | CAL | H19 | 57.4° | 55.0° |
| CAS | CAW | NAN | CAJ | 65.4° | 85.0° |
| CAW | CAS | OAD | OAG | 175.6° | 180.0° |
| CAS | CAW | NAN | H14 | 173.4° | 151.1° |
| CAW | CAS | OAG | H17 | 175.5° | 180.0° |
| CAS | CAW | CAL | H18 | 53.4° | 55.0° |
| CAS | CAW | CAL | H19 | 172.7° | 65.0° |
| NAP | CAH | NAM | H21 | 178.1° | 179.7° |
| NAN | CAJ | CAK | H12 | 120.5° | 120.0° |
| NAN | CAJ | CAK | H13 | 120.5° | 120.0° |
| NAN | CAJ | CAK | CAV | 72.8° | 180.0° |
| NAN | CAJ | CAK | H10 | 166.8° | 59.9° |
| NAN | CAJ | CAK | H11 | 47.5° | 60.0° |
| NAN | CAJ | H12 | H13 | 118.5° | 120.0° |
| CAJ | NAN | CAW | H16 | 51.8° | 35.0° |
| OAD | CAS | CAW | H16 | 42.8° | 120.0° |
| OAD | CAS | OAG | H17 | 0.0° | 0.0° |
| OAG | CAS | CAW | H16 | 141.3° | 60.0° |
| CAJ | CAK | CAV | H10 | 120.4° | 120.0° |
| CAJ | CAK | CAV | H11 | 120.4° | 120.0° |
| CAJ | CAK | CAV | CAR | 104.2° | 175.0° |
| CAJ | CAK | CAV | N | 20.5° | 65.0° |
| CAJ | CAK | CAV | H8 | 141.1° | 55.0° |
| CAJ | CAK | H10 | H11 | 118.9° | 120.0° |
| CAK | CAJ | H12 | H13 | 118.5° | 120.0° |
| CAK | CAJ | NAN | H14 | 68.0° | 56.1° |
| OAC | CAR | CAV | CAK | 99.4° | 120.0° |
| OAC | CAR | OAF | CAV | 170.9° | 180.0° |
| OAC | CAR | CAV | N | 27.7° | 0.0° |
| OAC | CAR | CAV | H8 | 146.1° | 120.0° |
| OAC | CAR | OAF | H9 | 0.0° | 0.0° |
| CAK | CAV | CAR | OAF | 72.5° | 60.0° |
| CAK | CAV | CAR | N | 127.1° | 120.0° |
| CAK | CAV | CAR | H8 | 114.6° | 120.0° |
| CAK | CAV | N | H8 | 120.5° | 120.0° |
| CAK | CAV | N | CA | 163.3° | 155.0° |
| CAK | CAV | N | H6 | 74.8° | 81.1° |
| CAV | CAK | H10 | H11 | 118.9° | 120.0° |
| CAV | CAK | CAJ | H12 | 47.7° | 60.0° |
| CAV | CAK | CAJ | H13 | 166.7° | 60.0° |
| OAF | CAR | CAV | N | 160.4° | 180.0° |
| OAF | CAR | CAV | H8 | 42.0° | 60.0° |
| CAR | CAV | N | H8 | 118.3° | 120.0° |
| CAR | CAV | N | CA | 75.5° | 85.0° |
| CAR | CAV | N | H6 | 46.4° | 38.9° |
| CAV | CAR | OAF | H9 | 170.8° | 180.0° |
| CAR | CAV | CAK | H10 | 135.4° | 65.0° |
| CAR | CAV | CAK | H11 | 16.2° | 55.0° |
| CAV | N | CA | H6 | 121.9° | 123.9° |
| CAV | N | CA | C | 108.9° | 155.0° |
| CAV | N | CA | CB | 16.8° | 85.0° |
| CAV | N | CA | H2 | 134.4° | 35.0° |
| N | CAV | CAK | H10 | 99.8° | 55.0° |
| N | CAV | CAK | H11 | 140.9° | 175.0° |
| OXT | C | CA | N | 12.5° | 0.1° |
| OXT | C | CA | O | 178.8° | 179.9° |
| OXT | C | CA | CB | 137.3° | 119.9° |
| OXT | C | O | H1 | 0.0° | 0.1° |
| OXT | C | CA | H2 | 104.5° | 120.1° |
| N | CA | C | CB | 124.8° | 120.0° |
| N | CA | C | H2 | 117.0° | 120.0° |
| N | CA | C | O | 166.3° | 180.0° |
| N | CA | CB | H2 | 118.2° | 120.0° |
| N | CA | CB | H3 | 180.0° | 60.0° |
| N | CA | CB | H4 | 60.0° | 180.0° |
| N | CA | CB | H5 | 60.0° | 60.0° |
| CA | N | CAV | H8 | 42.8° | 35.1° |
| C | CA | CB | H2 | 118.3° | 120.0° |
| CA | C | O | H1 | 178.7° | 180.0° |
| C | CA | CB | H3 | 56.6° | 60.0° |
| C | CA | CB | H4 | 176.5° | 60.0° |
| C | CA | CB | H5 | 63.5° | 180.0° |
| C | CA | N | H6 | 12.9° | 81.1° |
| O | C | CA | CB | 41.5° | 60.0° |
| O | C | CA | H2 | 76.7° | 60.0° |
| CA | CB | H3 | H4 | 120.0° | 120.0° |
| CA | CB | H3 | H5 | 120.0° | 120.0° |
| CA | CB | H4 | H5 | 120.0° | 120.0° |
| CB | CA | N | H6 | 138.6° | 38.9° |
| H2 | CA | CB | H3 | 61.8° | 180.0° |
| H2 | CA | CB | H4 | 58.2° | 60.0° |
| H2 | CA | CB | H5 | 178.2° | 60.0° |
| H2 | CA | N | H6 | 103.7° | 158.9° |
| H3 | CB | H4 | H5 | 120.0° | 120.0° |
| H6 | N | CAV | H8 | 164.7° | 158.9° |
| H8 | CAV | CAK | H10 | 20.8° | 175.0° |
| H8 | CAV | CAK | H11 | 98.5° | 65.1° |
| H10 | CAK | CAJ | H12 | 72.7° | 180.0° |
| H10 | CAK | CAJ | H13 | 46.3° | 60.1° |
| H11 | CAK | CAJ | H12 | 168.1° | 60.0° |
| H11 | CAK | CAJ | H13 | 72.9° | 180.0° |
| H12 | CAJ | NAN | H14 | 171.5° | 63.9° |
| H13 | CAJ | NAN | H14 | 52.5° | 176.1° |
| H14 | NAN | CAW | H16 | 69.3° | 88.9° |
| H16 | CAW | CAL | H18 | 62.2° | 65.0° |
| H16 | CAW | CAL | H19 | 57.0° | 175.0° |
| H20 | CAI | NAM | H21 | 1.4° | 0.1° |
| H21 | NAM | CAH | H22 | 2.0° | 0.1° |
