53Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAB | CAP | doub | 1.22Å | 1.24Å | |
| CAK | CAI | sing | 1.54Å | 1.53Å | |
| CAK | NAT | sing | 1.47Å | 1.43Å | |
| CAI | CAH | sing | 1.55Å | 1.60Å | |
| CA | N | sing | 1.47Å | 1.45Å | |
| CA | C | sing | 1.51Å | 1.53Å | |
| CAP | N | sing | 1.35Å | 1.31Å | |
| CAP | NAO | sing | 1.35Å | 1.33Å | |
| CAM | NAO | sing | 1.47Å | 1.46Å | |
| CAM | CAS | sing | 1.51Å | 1.55Å | |
| NAT | C | sing | 1.35Å | 1.30Å | |
| NAT | CAJ | sing | 1.47Å | 1.42Å | |
| CAH | CAJ | sing | 1.55Å | 1.53Å | |
| C | O | doub | 1.21Å | 1.24Å | |
| CAS | CAG | doub | 1.38Å | 1.39Å | Aromatic |
| CAS | CAF | sing | 1.38Å | 1.39Å | Aromatic |
| CAG | CAE | sing | 1.38Å | 1.39Å | Aromatic |
| CAF | CAD | doub | 1.38Å | 1.40Å | Aromatic |
| CAE | CAR | doub | 1.39Å | 1.39Å | Aromatic |
| CAD | CAR | sing | 1.39Å | 1.39Å | Aromatic |
| CAR | NAA | sing | 1.40Å | 1.35Å | |
| CAJ | H1 | sing | 1.09Å | 1.10Å | |
| CAJ | H2 | sing | 1.09Å | 1.10Å | |
| CAH | H3 | sing | 1.09Å | 1.10Å | |
| CAH | H4 | sing | 1.09Å | 1.10Å | |
| CAI | H5 | sing | 1.09Å | 1.10Å | |
| CAI | H6 | sing | 1.09Å | 1.10Å | |
| CAK | H7 | sing | 1.09Å | 1.10Å | |
| CAK | H8 | sing | 1.09Å | 1.10Å | |
| CA | H9 | sing | 1.09Å | 1.10Å | |
| CA | H10 | sing | 1.09Å | 1.10Å | |
| N | H11 | sing | 0.97Å | 1.00Å | |
| NAO | H12 | sing | 0.97Å | 1.00Å | |
| CAM | H13 | sing | 1.09Å | 1.10Å | |
| CAM | H14 | sing | 1.09Å | 1.10Å | |
| CAF | H15 | sing | 1.08Å | 1.08Å | |
| CAD | H16 | sing | 1.08Å | 1.08Å | |
| NAA | H17 | sing | 0.97Å | 1.00Å | |
| NAA | H18 | sing | 0.97Å | 1.00Å | |
| CAE | H19 | sing | 1.08Å | 1.08Å | |
| CAG | H20 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAB | CAP | N | 121.7° | 120.0° |
| OAB | CAP | NAO | 126.5° | 120.0° |
| CAI | CAK | NAT | 108.0° | 107.3° |
| CAK | CAI | CAH | 87.0° | 103.0° |
| CAK | CAI | H5 | 114.8° | 110.7° |
| CAK | CAI | H6 | 114.8° | 110.9° |
| CAI | CAK | H7 | 109.8° | 109.9° |
| CAI | CAK | H8 | 109.8° | 109.9° |
| CAK | NAT | C | 131.4° | 125.7° |
| CAK | NAT | CAJ | 96.3° | 108.5° |
| NAT | CAK | H7 | 109.8° | 109.8° |
| NAT | CAK | H8 | 109.8° | 109.9° |
| CAI | CAH | CAJ | 86.5° | 101.6° |
| CAI | CAH | H3 | 114.9° | 111.0° |
| CAI | CAH | H4 | 114.9° | 111.0° |
| CAH | CAI | H5 | 114.7° | 110.7° |
| CAH | CAI | H6 | 114.8° | 110.7° |
| N | CA | C | 107.4° | 109.4° |
| CA | N | CAP | 119.9° | 120.0° |
| N | CA | H9 | 110.0° | 109.5° |
| N | CA | H10 | 110.0° | 109.5° |
| CA | N | H11 | 120.0° | 120.0° |
| CA | C | NAT | 116.7° | 120.0° |
| CA | C | O | 123.9° | 120.0° |
| C | CA | H9 | 110.0° | 109.5° |
| C | CA | H10 | 110.0° | 109.5° |
| N | CAP | NAO | 111.4° | 120.0° |
| CAP | N | H11 | 120.0° | 120.0° |
| CAP | NAO | CAM | 127.7° | 120.0° |
| CAP | NAO | H12 | 116.1° | 120.0° |
| NAO | CAM | CAS | 104.1° | 109.5° |
| CAM | NAO | H12 | 116.2° | 120.0° |
| NAO | CAM | H13 | 110.8° | 109.4° |
| NAO | CAM | H14 | 110.8° | 109.4° |
| CAM | CAS | CAG | 119.6° | 119.9° |
| CAM | CAS | CAF | 121.9° | 119.9° |
| CAS | CAM | H13 | 110.8° | 109.5° |
| CAS | CAM | H14 | 110.8° | 109.5° |
| C | NAT | CAJ | 132.3° | 125.8° |
| NAT | C | O | 119.4° | 120.0° |
| NAT | CAJ | CAH | 108.8° | 104.9° |
| NAT | CAJ | H1 | 109.7° | 110.4° |
| NAT | CAJ | H2 | 109.7° | 110.4° |
| CAH | CAJ | H1 | 109.7° | 110.3° |
| CAH | CAJ | H2 | 109.7° | 110.4° |
| CAJ | CAH | H3 | 114.9° | 111.0° |
| CAJ | CAH | H4 | 114.9° | 111.1° |
| CAG | CAS | CAF | 118.5° | 120.2° |
| CAS | CAG | CAE | 120.7° | 120.0° |
| CAS | CAG | H20 | 119.7° | 120.0° |
| CAS | CAF | CAD | 120.7° | 120.1° |
| CAS | CAF | H15 | 119.7° | 120.0° |
| CAG | CAE | CAR | 120.8° | 120.0° |
| CAG | CAE | H19 | 119.6° | 120.0° |
| CAE | CAG | H20 | 119.6° | 120.0° |
| CAF | CAD | CAR | 120.8° | 119.9° |
| CAD | CAF | H15 | 119.6° | 120.0° |
| CAF | CAD | H16 | 119.6° | 120.1° |
| CAE | CAR | CAD | 118.5° | 119.8° |
| CAE | CAR | NAA | 120.8° | 120.1° |
| CAR | CAE | H19 | 119.6° | 120.0° |
| CAD | CAR | NAA | 120.7° | 120.1° |
| CAR | CAD | H16 | 119.6° | 120.0° |
| CAR | NAA | H17 | 109.5° | 120.0° |
| CAR | NAA | H18 | 109.5° | 120.0° |
| H1 | CAJ | H2 | 109.4° | 110.4° |
| H3 | CAH | H4 | 109.4° | 110.9° |
| H5 | CAI | H6 | 109.4° | 110.6° |
| H7 | CAK | H8 | 109.5° | 110.0° |
| H9 | CA | H10 | 109.4° | 109.5° |
| H13 | CAM | H14 | 109.5° | 109.5° |
| H17 | NAA | H18 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAB | CAP | N | CA | 6.5° | 0.0° |
| OAB | CAP | N | NAO | 173.3° | 180.0° |
| OAB | CAP | NAO | CAM | 7.3° | 0.1° |
| OAB | CAP | N | H11 | 173.5° | 179.9° |
| OAB | CAP | NAO | H12 | 172.7° | 180.0° |
| CAI | CAK | NAT | H7 | 119.8° | 119.4° |
| CAI | CAK | NAT | H8 | 119.7° | 119.4° |
| CAK | CAI | CAH | H5 | 116.0° | 118.3° |
| CAK | CAI | CAH | H6 | 116.0° | 118.6° |
| CAI | CAK | NAT | C | 155.9° | 179.0° |
| CAI | CAK | NAT | CAJ | 24.3° | 1.1° |
| CAK | CAI | CAH | CAJ | 62.1° | 35.5° |
| CAK | CAI | CAH | H3 | 53.7° | 82.5° |
| CAK | CAI | CAH | H4 | 178.0° | 153.6° |
| CAK | CAI | H5 | H6 | 130.7° | 123.3° |
| CAI | CAK | H7 | H8 | 120.7° | 121.1° |
| NAT | CAK | CAI | CAH | 59.5° | 22.2° |
| CAK | NAT | C | CA | 0.4° | 180.0° |
| CAK | NAT | C | CAJ | 179.6° | 179.9° |
| CAK | NAT | CAJ | CAH | 24.0° | 24.2° |
| CAK | NAT | C | O | 177.9° | 0.0° |
| CAK | NAT | CAJ | H1 | 95.9° | 94.7° |
| CAK | NAT | CAJ | H2 | 144.0° | 143.0° |
| NAT | CAK | CAI | H5 | 175.4° | 140.5° |
| NAT | CAK | CAI | H6 | 56.5° | 96.3° |
| NAT | CAK | H7 | H8 | 120.7° | 121.1° |
| CAI | CAH | CAJ | NAT | 59.2° | 37.1° |
| CAI | CAH | CAJ | H3 | 115.8° | 118.0° |
| CAI | CAH | CAJ | H4 | 115.9° | 118.1° |
| CAI | CAH | CAJ | H1 | 60.7° | 81.8° |
| CAI | CAH | CAJ | H2 | 179.1° | 155.9° |
| CAI | CAH | H3 | H4 | 131.0° | 123.9° |
| CAH | CAI | H5 | H6 | 130.7° | 123.1° |
| CAH | CAI | CAK | H7 | 179.2° | 97.2° |
| CAH | CAI | CAK | H8 | 60.3° | 141.6° |
| N | CA | C | H9 | 119.7° | 120.0° |
| N | CA | C | H10 | 119.7° | 120.0° |
| CA | N | CAP | H11 | 180.0° | 179.9° |
| CA | N | CAP | NAO | 179.7° | 180.0° |
| N | CA | C | NAT | 172.3° | 180.0° |
| N | CA | C | O | 5.9° | 0.1° |
| N | CA | H9 | H10 | 121.0° | 120.0° |
| C | CA | N | CAP | 116.7° | 180.0° |
| CA | C | NAT | O | 178.3° | 180.0° |
| CA | C | NAT | CAJ | 179.9° | 0.1° |
| C | CA | H9 | H10 | 120.9° | 120.0° |
| C | CA | N | H11 | 63.3° | 0.1° |
| N | CAP | NAO | CAM | 179.8° | 180.0° |
| CAP | N | CA | H9 | 2.9° | 60.0° |
| CAP | N | CA | H10 | 123.6° | 60.0° |
| N | CAP | NAO | H12 | 0.2° | 0.0° |
| CAP | NAO | CAM | H12 | 180.0° | 180.0° |
| CAP | NAO | CAM | CAS | 121.9° | 180.0° |
| NAO | CAP | N | H11 | 0.2° | 0.1° |
| CAP | NAO | CAM | H13 | 118.9° | 60.0° |
| CAP | NAO | CAM | H14 | 2.8° | 60.0° |
| NAO | CAM | CAS | H13 | 119.1° | 120.0° |
| NAO | CAM | CAS | H14 | 119.2° | 119.9° |
| NAO | CAM | CAS | CAG | 146.0° | 90.0° |
| NAO | CAM | CAS | CAF | 33.6° | 89.7° |
| NAO | CAM | H13 | H14 | 122.5° | 119.9° |
| CAM | CAS | CAG | CAF | 179.7° | 179.7° |
| CAM | CAS | CAG | CAE | 179.9° | 179.8° |
| CAM | CAS | CAF | CAD | 180.0° | 180.0° |
| CAS | CAM | NAO | H12 | 58.1° | 0.0° |
| CAS | CAM | H13 | H14 | 122.5° | 120.1° |
| CAM | CAS | CAF | H15 | 0.0° | 0.0° |
| CAM | CAS | CAG | H20 | 0.1° | 0.0° |
| C | NAT | CAJ | CAH | 155.7° | 155.9° |
| C | NAT | CAJ | H1 | 84.4° | 85.2° |
| C | NAT | CAJ | H2 | 35.8° | 37.1° |
| C | NAT | CAK | H7 | 36.2° | 59.6° |
| C | NAT | CAK | H8 | 84.3° | 61.5° |
| NAT | C | CA | H9 | 52.6° | 60.0° |
| NAT | C | CA | H10 | 68.0° | 60.0° |
| NAT | CAJ | CAH | H1 | 119.9° | 118.9° |
| NAT | CAJ | CAH | H2 | 119.9° | 118.9° |
| CAJ | NAT | C | O | 1.7° | 179.9° |
| NAT | CAJ | H1 | H2 | 120.3° | 122.3° |
| NAT | CAJ | CAH | H3 | 56.7° | 81.0° |
| NAT | CAJ | CAH | H4 | 175.0° | 155.2° |
| CAJ | NAT | CAK | H7 | 144.1° | 120.5° |
| CAJ | NAT | CAK | H8 | 95.4° | 118.3° |
| CAH | CAJ | H1 | H2 | 120.3° | 122.2° |
| CAJ | CAH | H3 | H4 | 131.0° | 123.9° |
| CAJ | CAH | CAI | H5 | 178.0° | 153.8° |
| CAJ | CAH | CAI | H6 | 53.9° | 83.1° |
| O | C | CA | H9 | 125.7° | 119.9° |
| O | C | CA | H10 | 113.8° | 120.0° |
| CAS | CAG | CAE | H20 | 180.0° | 179.8° |
| CAG | CAS | CAF | CAD | 0.4° | 0.2° |
| CAS | CAG | CAE | CAR | 0.3° | 0.5° |
| CAG | CAS | CAM | H13 | 26.9° | 30.0° |
| CAG | CAS | CAM | H14 | 94.8° | 150.1° |
| CAG | CAS | CAF | H15 | 179.6° | 179.8° |
| CAS | CAG | CAE | H19 | 179.7° | 179.7° |
| CAF | CAS | CAG | CAE | 0.4° | 0.5° |
| CAS | CAF | CAD | H15 | 180.0° | 180.0° |
| CAS | CAF | CAD | CAR | 0.2° | 0.0° |
| CAF | CAS | CAM | H13 | 152.7° | 150.3° |
| CAF | CAS | CAM | H14 | 85.5° | 30.2° |
| CAS | CAF | CAD | H16 | 179.8° | 180.0° |
| CAF | CAS | CAG | H20 | 179.6° | 179.7° |
| CAG | CAE | CAR | H19 | 180.0° | 179.7° |
| CAG | CAE | CAR | CAD | 0.2° | 0.3° |
| CAG | CAE | CAR | NAA | 180.0° | 179.7° |
| CAF | CAD | CAR | CAE | 0.1° | 0.0° |
| CAF | CAD | CAR | H16 | 180.0° | 179.9° |
| CAF | CAD | CAR | NAA | 179.9° | 180.0° |
| CAE | CAR | CAD | NAA | 179.8° | 180.0° |
| CAE | CAR | CAD | H16 | 179.9° | 180.0° |
| CAE | CAR | NAA | H17 | 180.0° | 180.0° |
| CAE | CAR | NAA | H18 | 60.0° | 0.1° |
| CAR | CAE | CAG | H20 | 179.7° | 179.7° |
| CAR | CAD | CAF | H15 | 179.8° | 180.0° |
| CAD | CAR | NAA | H17 | 0.2° | 0.0° |
| CAD | CAR | NAA | H18 | 120.2° | 179.9° |
| CAD | CAR | CAE | H19 | 179.9° | 180.0° |
| NAA | CAR | CAD | H16 | 0.1° | 0.1° |
| CAR | NAA | H17 | H18 | 120.0° | 179.9° |
| NAA | CAR | CAE | H19 | 0.1° | 0.0° |
| H1 | CAJ | CAH | H3 | 176.6° | 160.1° |
| H1 | CAJ | CAH | H4 | 55.1° | 36.3° |
| H2 | CAJ | CAH | H3 | 63.2° | 37.9° |
| H2 | CAJ | CAH | H4 | 65.1° | 85.9° |
| H3 | CAH | CAI | H5 | 62.2° | 35.8° |
| H3 | CAH | CAI | H6 | 169.7° | 158.9° |
| H4 | CAH | CAI | H5 | 66.1° | 88.0° |
| H4 | CAH | CAI | H6 | 62.0° | 35.0° |
| H5 | CAI | CAK | H7 | 64.8° | 21.2° |
| H5 | CAI | CAK | H8 | 55.7° | 100.0° |
| H6 | CAI | CAK | H7 | 63.3° | 144.3° |
| H6 | CAI | CAK | H8 | 176.3° | 23.1° |
| H9 | CA | N | H11 | 177.0° | 119.9° |
| H10 | CA | N | H11 | 56.4° | 120.1° |
| H12 | NAO | CAM | H13 | 61.1° | 120.0° |
| H12 | NAO | CAM | H14 | 177.2° | 120.0° |
| H15 | CAF | CAD | H16 | 0.2° | 0.0° |
| H19 | CAE | CAG | H20 | 0.3° | 0.0° |
