8Q5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAY | CAX | sing | 1.53Å | 1.53Å | |
| CAY | CAW | sing | 1.53Å | 1.54Å | |
| CAX | CAW | sing | 1.53Å | 1.54Å | |
| CAW | NAV | sing | 1.46Å | 1.48Å | |
| NAV | CAU | sing | 1.35Å | 1.35Å | |
| CAQ | CAP | doub | 1.37Å | 1.41Å | Aromatic |
| CAQ | CAR | sing | 1.40Å | 1.42Å | Aromatic |
| CAP | CAO | sing | 1.40Å | 1.38Å | Aromatic |
| CAU | CAR | sing | 1.47Å | 1.52Å | |
| CAU | OAZ | doub | 1.22Å | 1.21Å | |
| CAM | NAL | sing | 1.33Å | 1.36Å | Aromatic |
| CAM | CAN | doub | 1.38Å | 1.38Å | Aromatic |
| CAR | CAS | doub | 1.40Å | 1.41Å | Aromatic |
| NAL | CAE | doub | 1.32Å | 1.36Å | Aromatic |
| CAO | CAN | sing | 1.47Å | 1.48Å | |
| CAO | CAT | doub | 1.40Å | 1.40Å | Aromatic |
| CAN | NAD | sing | 1.37Å | 1.35Å | Aromatic |
| CAS | CAT | sing | 1.37Å | 1.41Å | Aromatic |
| CAE | NAD | sing | 1.37Å | 1.37Å | Aromatic |
| CAE | CAF | sing | 1.42Å | 1.51Å | Aromatic |
| NAD | CAC | sing | 1.37Å | 1.37Å | Aromatic |
| NAG | CAF | sing | 1.39Å | 1.36Å | |
| NAG | CAH | sing | 1.47Å | 1.46Å | |
| CAF | NAA | doub | 1.32Å | 1.36Å | Aromatic |
| CAC | CAB | doub | 1.35Å | 1.41Å | Aromatic |
| CAJ | CAI | sing | 1.53Å | 1.54Å | |
| CAH | CAI | sing | 1.53Å | 1.55Å | |
| NAA | CAB | sing | 1.34Å | 1.35Å | Aromatic |
| CAI | CAK | sing | 1.53Å | 1.53Å | |
| NAV | H1 | sing | 0.97Å | 1.00Å | |
| CAW | H2 | sing | 1.09Å | 1.10Å | |
| CAY | H3 | sing | 1.09Å | 1.10Å | |
| CAY | H4 | sing | 1.09Å | 1.10Å | |
| CAX | H5 | sing | 1.09Å | 1.10Å | |
| CAX | H6 | sing | 1.09Å | 1.10Å | |
| CAQ | H7 | sing | 1.08Å | 1.08Å | |
| CAP | H8 | sing | 1.08Å | 1.08Å | |
| CAT | H9 | sing | 1.08Å | 1.08Å | |
| CAS | H10 | sing | 1.08Å | 1.08Å | |
| CAC | H11 | sing | 1.08Å | 1.08Å | |
| CAB | H12 | sing | 1.08Å | 1.08Å | |
| CAM | H13 | sing | 1.08Å | 1.08Å | |
| NAG | H14 | sing | 0.97Å | 1.00Å | |
| CAH | H15 | sing | 1.09Å | 1.10Å | |
| CAH | H16 | sing | 1.09Å | 1.10Å | |
| CAI | H17 | sing | 1.09Å | 1.10Å | |
| CAJ | H18 | sing | 1.09Å | 1.10Å | |
| CAJ | H19 | sing | 1.09Å | 1.10Å | |
| CAJ | H20 | sing | 1.09Å | 1.10Å | |
| CAK | H21 | sing | 1.09Å | 1.10Å | |
| CAK | H22 | sing | 1.09Å | 1.10Å | |
| CAK | H23 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAX | CAY | CAW | 60.5° | 60.0° |
| CAY | CAX | CAW | 60.1° | 60.0° |
| CAX | CAY | H3 | 119.9° | 117.5° |
| CAX | CAY | H4 | 119.9° | 117.5° |
| CAY | CAX | H5 | 120.0° | 117.5° |
| CAY | CAX | H6 | 120.0° | 117.5° |
| CAY | CAW | CAX | 59.4° | 60.0° |
| CAY | CAW | NAV | 111.1° | 117.5° |
| CAY | CAW | H2 | 116.1° | 117.5° |
| CAW | CAY | H3 | 119.9° | 117.5° |
| CAW | CAY | H4 | 119.9° | 117.5° |
| CAX | CAW | NAV | 122.7° | 117.5° |
| CAX | CAW | H2 | 116.0° | 117.5° |
| CAW | CAX | H5 | 120.0° | 117.5° |
| CAW | CAX | H6 | 120.0° | 117.5° |
| CAW | NAV | CAU | 123.4° | 120.0° |
| CAW | NAV | H1 | 118.3° | 120.0° |
| NAV | CAW | H2 | 117.3° | 115.6° |
| NAV | CAU | CAR | 123.8° | 120.0° |
| NAV | CAU | OAZ | 121.2° | 119.9° |
| CAU | NAV | H1 | 118.3° | 120.0° |
| CAP | CAQ | CAR | 120.6° | 120.0° |
| CAQ | CAP | CAO | 120.8° | 120.0° |
| CAP | CAQ | H7 | 119.7° | 120.0° |
| CAQ | CAP | H8 | 119.6° | 120.0° |
| CAQ | CAR | CAU | 123.4° | 120.0° |
| CAQ | CAR | CAS | 118.0° | 120.0° |
| CAR | CAQ | H7 | 119.7° | 120.0° |
| CAP | CAO | CAN | 117.0° | 120.0° |
| CAP | CAO | CAT | 119.1° | 120.0° |
| CAO | CAP | H8 | 119.6° | 120.0° |
| CAR | CAU | OAZ | 115.0° | 120.0° |
| CAU | CAR | CAS | 118.6° | 120.0° |
| NAL | CAM | CAN | 106.8° | 108.2° |
| CAM | NAL | CAE | 107.4° | 109.6° |
| NAL | CAM | H13 | 126.6° | 126.0° |
| CAM | CAN | CAO | 129.7° | 126.7° |
| CAM | CAN | NAD | 110.2° | 106.6° |
| CAN | CAM | H13 | 126.6° | 125.9° |
| CAR | CAS | CAT | 120.1° | 120.0° |
| CAR | CAS | H10 | 119.9° | 120.0° |
| NAL | CAE | NAD | 110.1° | 108.5° |
| NAL | CAE | CAF | 130.4° | 132.9° |
| CAN | CAO | CAT | 123.9° | 120.0° |
| CAO | CAN | NAD | 120.0° | 126.7° |
| CAO | CAT | CAS | 121.3° | 120.0° |
| CAO | CAT | H9 | 119.3° | 120.0° |
| CAN | NAD | CAE | 105.6° | 107.2° |
| CAN | NAD | CAC | 135.8° | 133.6° |
| CAS | CAT | H9 | 119.4° | 120.0° |
| CAT | CAS | H10 | 119.9° | 120.0° |
| NAD | CAE | CAF | 119.5° | 118.7° |
| CAE | NAD | CAC | 118.6° | 119.3° |
| CAE | CAF | NAG | 119.1° | 120.2° |
| CAE | CAF | NAA | 118.8° | 119.6° |
| NAD | CAC | CAB | 121.8° | 119.9° |
| NAD | CAC | H11 | 119.1° | 120.0° |
| CAF | NAG | CAH | 122.7° | 120.0° |
| NAG | CAF | NAA | 122.1° | 120.2° |
| CAF | NAG | H14 | 106.1° | 120.0° |
| NAG | CAH | CAI | 113.3° | 109.4° |
| CAH | NAG | H14 | 106.1° | 120.0° |
| NAG | CAH | H15 | 108.5° | 109.5° |
| NAG | CAH | H16 | 108.5° | 109.4° |
| CAF | NAA | CAB | 120.1° | 121.2° |
| CAC | CAB | NAA | 121.2° | 121.3° |
| CAB | CAC | H11 | 119.1° | 120.1° |
| CAC | CAB | H12 | 119.4° | 119.4° |
| CAJ | CAI | CAH | 112.6° | 109.4° |
| CAJ | CAI | CAK | 110.4° | 109.5° |
| CAJ | CAI | H17 | 107.0° | 109.5° |
| CAI | CAJ | H18 | 109.5° | 109.5° |
| CAI | CAJ | H19 | 109.5° | 109.4° |
| CAI | CAJ | H20 | 109.5° | 109.4° |
| CAH | CAI | CAK | 112.3° | 109.5° |
| CAI | CAH | H15 | 108.5° | 109.5° |
| CAI | CAH | H16 | 108.5° | 109.5° |
| CAH | CAI | H17 | 106.9° | 109.5° |
| NAA | CAB | H12 | 119.4° | 119.3° |
| CAK | CAI | H17 | 107.1° | 109.5° |
| CAI | CAK | H21 | 109.5° | 109.5° |
| CAI | CAK | H22 | 109.5° | 109.5° |
| CAI | CAK | H23 | 109.5° | 109.5° |
| H3 | CAY | H4 | 109.5° | 115.6° |
| H5 | CAX | H6 | 109.5° | 115.5° |
| H15 | CAH | H16 | 109.5° | 109.5° |
| H18 | CAJ | H19 | 109.5° | 109.5° |
| H18 | CAJ | H20 | 109.5° | 109.5° |
| H19 | CAJ | H20 | 109.5° | 109.5° |
| H21 | CAK | H22 | 109.4° | 109.5° |
| H21 | CAK | H23 | 109.4° | 109.4° |
| H22 | CAK | H23 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAX | CAY | CAW | H3 | 109.6° | 107.4° |
| CAX | CAY | CAW | H4 | 109.6° | 107.4° |
| CAY | CAX | CAW | H5 | 109.5° | 107.5° |
| CAY | CAX | CAW | H6 | 109.5° | 107.5° |
| CAX | CAY | CAW | NAV | 116.4° | 107.5° |
| CAX | CAY | CAW | H2 | 106.1° | 107.5° |
| CAX | CAY | H3 | H4 | 144.4° | 145.6° |
| CAY | CAX | H5 | H6 | 144.7° | 145.8° |
| CAY | CAW | NAV | H2 | 137.0° | 145.7° |
| CAY | CAW | NAV | CAU | 161.2° | 155.0° |
| CAY | CAW | NAV | H1 | 18.8° | 24.9° |
| CAW | CAY | H3 | H4 | 144.5° | 145.8° |
| CAX | CAW | NAV | H2 | 156.6° | 145.6° |
| CAX | CAW | NAV | CAU | 94.8° | 136.3° |
| CAX | CAW | NAV | H1 | 85.2° | 43.8° |
| CAW | CAX | H5 | H6 | 144.7° | 145.6° |
| CAW | NAV | CAU | H1 | 180.0° | 179.9° |
| CAW | NAV | CAU | CAR | 178.6° | 180.0° |
| CAW | NAV | CAU | OAZ | 3.1° | 0.2° |
| NAV | CAW | CAY | H3 | 6.8° | 145.1° |
| NAV | CAW | CAY | H4 | 134.0° | 0.1° |
| NAV | CAW | CAX | H5 | 153.7° | 0.0° |
| NAV | CAW | CAX | H6 | 12.7° | 145.0° |
| NAV | CAU | CAR | CAQ | 19.4° | 0.1° |
| NAV | CAU | CAR | OAZ | 178.4° | 179.8° |
| NAV | CAU | CAR | CAS | 161.7° | 179.7° |
| CAU | NAV | CAW | H2 | 61.8° | 9.3° |
| CAP | CAQ | CAR | H7 | 180.0° | 179.9° |
| CAQ | CAP | CAO | H8 | 180.0° | 180.0° |
| CAP | CAQ | CAR | CAU | 179.3° | 180.0° |
| CAP | CAQ | CAR | CAS | 0.4° | 0.3° |
| CAQ | CAP | CAO | CAN | 179.0° | 180.0° |
| CAQ | CAP | CAO | CAT | 0.1° | 0.0° |
| CAR | CAQ | CAP | CAO | 0.1° | 0.1° |
| CAQ | CAR | CAU | CAS | 178.9° | 179.7° |
| CAQ | CAR | CAU | OAZ | 159.0° | 179.7° |
| CAQ | CAR | CAS | CAT | 0.6° | 0.6° |
| CAR | CAQ | CAP | H8 | 179.9° | 179.9° |
| CAQ | CAR | CAS | H10 | 179.3° | 179.7° |
| CAP | CAO | CAN | CAM | 38.8° | 21.5° |
| CAP | CAO | CAN | CAT | 178.9° | 179.9° |
| CAP | CAO | CAN | NAD | 137.6° | 158.2° |
| CAP | CAO | CAT | CAS | 0.3° | 0.3° |
| CAO | CAP | CAQ | H7 | 179.9° | 180.0° |
| CAP | CAO | CAT | H9 | 179.7° | 180.0° |
| CAU | CAR | CAS | CAT | 179.6° | 179.7° |
| CAR | CAU | NAV | H1 | 1.4° | 0.1° |
| CAU | CAR | CAQ | H7 | 0.7° | 0.1° |
| CAU | CAR | CAS | H10 | 0.4° | 0.1° |
| OAZ | CAU | CAR | CAS | 19.9° | 0.0° |
| OAZ | CAU | NAV | H1 | 176.9° | 179.7° |
| NAL | CAM | CAN | H13 | 180.0° | 179.7° |
| NAL | CAM | CAN | CAO | 177.8° | 179.9° |
| NAL | CAM | CAN | NAD | 1.1° | 0.4° |
| CAM | NAL | CAE | NAD | 0.2° | 0.2° |
| CAM | NAL | CAE | CAF | 179.9° | 179.8° |
| CAN | CAM | NAL | CAE | 0.6° | 0.4° |
| CAM | CAN | CAO | NAD | 176.4° | 179.7° |
| CAM | CAN | CAO | CAT | 142.3° | 158.6° |
| CAM | CAN | NAD | CAE | 1.2° | 0.2° |
| CAM | CAN | NAD | CAC | 179.6° | 179.8° |
| CAR | CAS | CAT | CAO | 0.6° | 0.6° |
| CAR | CAS | CAT | H10 | 180.0° | 179.6° |
| CAS | CAR | CAQ | H7 | 179.6° | 179.7° |
| CAR | CAS | CAT | H9 | 179.4° | 179.7° |
| NAL | CAE | NAD | CAN | 0.9° | 0.0° |
| NAL | CAE | NAD | CAF | 180.0° | 180.0° |
| NAL | CAE | NAD | CAC | 179.8° | 180.0° |
| NAL | CAE | CAF | NAG | 1.8° | 0.0° |
| NAL | CAE | CAF | NAA | 179.4° | 180.0° |
| CAE | NAL | CAM | H13 | 179.5° | 180.0° |
| CAN | CAO | CAT | CAS | 179.2° | 179.7° |
| CAO | CAN | NAD | CAE | 178.3° | 180.0° |
| CAO | CAN | NAD | CAC | 2.5° | 0.0° |
| CAN | CAO | CAP | H8 | 1.0° | 0.0° |
| CAN | CAO | CAT | H9 | 0.8° | 0.1° |
| CAO | CAN | CAM | H13 | 2.2° | 0.3° |
| CAT | CAO | CAN | NAD | 41.3° | 21.7° |
| CAO | CAT | CAS | H9 | 180.0° | 179.6° |
| CAT | CAO | CAP | H8 | 179.9° | 179.9° |
| CAO | CAT | CAS | H10 | 179.4° | 179.7° |
| CAN | NAD | CAE | CAC | 179.3° | 180.0° |
| CAN | NAD | CAE | CAF | 179.2° | 180.0° |
| CAN | NAD | CAC | CAB | 179.0° | 180.0° |
| CAN | NAD | CAC | H11 | 1.0° | 0.0° |
| NAD | CAN | CAM | H13 | 178.9° | 180.0° |
| NAD | CAE | CAF | NAG | 178.3° | 180.0° |
| NAD | CAE | CAF | NAA | 0.5° | 0.0° |
| CAE | NAD | CAC | CAB | 0.1° | 0.0° |
| CAE | NAD | CAC | H11 | 179.9° | 180.0° |
| CAF | CAE | NAD | CAC | 0.2° | 0.0° |
| CAE | CAF | NAG | NAA | 178.8° | 180.0° |
| CAE | CAF | NAG | CAH | 170.8° | 180.0° |
| CAE | CAF | NAA | CAB | 0.8° | 0.0° |
| CAE | CAF | NAG | H14 | 49.0° | 0.1° |
| NAD | CAC | CAB | H11 | 180.0° | 179.9° |
| NAD | CAC | CAB | NAA | 0.3° | 0.0° |
| NAD | CAC | CAB | H12 | 179.7° | 179.9° |
| CAF | NAG | CAH | H14 | 121.8° | 180.0° |
| CAF | NAG | CAH | CAI | 85.1° | 180.0° |
| NAG | CAF | NAA | CAB | 178.0° | 180.0° |
| CAF | NAG | CAH | H15 | 154.3° | 60.0° |
| CAF | NAG | CAH | H16 | 35.4° | 60.0° |
| CAH | NAG | CAF | NAA | 8.0° | 0.0° |
| NAG | CAH | CAI | CAJ | 66.5° | 175.0° |
| NAG | CAH | CAI | H15 | 120.6° | 120.0° |
| NAG | CAH | CAI | H16 | 120.6° | 120.0° |
| NAG | CAH | CAI | CAK | 168.0° | 65.0° |
| NAG | CAH | H15 | H16 | 118.3° | 120.0° |
| NAG | CAH | CAI | H17 | 50.8° | 55.0° |
| CAF | NAA | CAB | CAC | 0.7° | 0.0° |
| CAF | NAA | CAB | H12 | 179.3° | 179.9° |
| NAA | CAF | NAG | H14 | 129.8° | 180.0° |
| CAC | CAB | NAA | H12 | 180.0° | 179.9° |
| CAJ | CAI | CAH | CAK | 125.5° | 120.0° |
| CAJ | CAI | CAH | H17 | 117.3° | 120.0° |
| CAJ | CAI | CAK | H17 | 116.2° | 120.0° |
| CAJ | CAI | CAH | H15 | 54.0° | 55.0° |
| CAJ | CAI | CAH | H16 | 172.9° | 65.0° |
| CAI | CAJ | H18 | H19 | 120.0° | 120.0° |
| CAI | CAJ | H18 | H20 | 120.0° | 120.0° |
| CAI | CAJ | H19 | H20 | 120.0° | 120.0° |
| CAJ | CAI | CAK | H21 | 180.0° | 60.0° |
| CAJ | CAI | CAK | H22 | 60.0° | 60.0° |
| CAJ | CAI | CAK | H23 | 60.0° | 180.0° |
| CAH | CAI | CAK | H17 | 117.1° | 120.0° |
| CAI | CAH | NAG | H14 | 36.7° | 0.0° |
| CAI | CAH | H15 | H16 | 118.2° | 120.1° |
| CAH | CAI | CAJ | H18 | 180.0° | 60.0° |
| CAH | CAI | CAJ | H19 | 60.0° | 180.0° |
| CAH | CAI | CAJ | H20 | 60.0° | 60.0° |
| CAH | CAI | CAK | H21 | 53.4° | 180.0° |
| CAH | CAI | CAK | H22 | 173.4° | 60.0° |
| CAH | CAI | CAK | H23 | 66.6° | 60.0° |
| NAA | CAB | CAC | H11 | 179.7° | 179.9° |
| CAK | CAI | CAH | H15 | 71.4° | 175.0° |
| CAK | CAI | CAH | H16 | 47.4° | 55.0° |
| CAK | CAI | CAJ | H18 | 53.5° | 60.0° |
| CAK | CAI | CAJ | H19 | 173.5° | 60.0° |
| CAK | CAI | CAJ | H20 | 66.5° | 180.0° |
| CAI | CAK | H21 | H22 | 120.0° | 120.0° |
| CAI | CAK | H21 | H23 | 120.0° | 120.0° |
| CAI | CAK | H22 | H23 | 120.0° | 120.0° |
| H1 | NAV | CAW | H2 | 118.2° | 170.6° |
| H2 | CAW | CAY | H3 | 144.3° | 0.0° |
| H2 | CAW | CAY | H4 | 3.5° | 145.1° |
| H2 | CAW | CAX | H5 | 3.2° | 145.0° |
| H2 | CAW | CAX | H6 | 144.2° | 0.0° |
| H3 | CAY | CAX | H5 | 140.9° | 145.0° |
| H3 | CAY | CAX | H6 | 0.2° | 0.1° |
| H4 | CAY | CAX | H5 | 0.1° | 0.1° |
| H4 | CAY | CAX | H6 | 140.9° | 145.0° |
| H7 | CAQ | CAP | H8 | 0.1° | 0.0° |
| H9 | CAT | CAS | H10 | 0.6° | 0.1° |
| H11 | CAC | CAB | H12 | 0.3° | 0.0° |
| H14 | NAG | CAH | H15 | 83.9° | 120.1° |
| H14 | NAG | CAH | H16 | 157.3° | 120.0° |
| H15 | CAH | CAI | H17 | 171.3° | 65.0° |
| H16 | CAH | CAI | H17 | 69.8° | 175.0° |
| H17 | CAI | CAJ | H18 | 62.8° | 180.0° |
| H17 | CAI | CAJ | H19 | 57.2° | 60.0° |
| H17 | CAI | CAJ | H20 | 177.2° | 60.0° |
| H17 | CAI | CAK | H21 | 63.8° | 60.0° |
| H17 | CAI | CAK | H22 | 56.2° | 180.0° |
| H17 | CAI | CAK | H23 | 176.2° | 60.0° |
| H18 | CAJ | H19 | H20 | 120.0° | 120.1° |
| H21 | CAK | H22 | H23 | 119.9° | 120.0° |
