H3I
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.43Å | |
| CA | C | sing | 1.51Å | 1.51Å | |
| CA | CB | sing | 1.53Å | 1.54Å | |
| CAL | NAT | doub | 1.32Å | 1.33Å | Aromatic |
| CAL | NAV | sing | 1.31Å | 1.32Å | Aromatic |
| CAN | NAX | sing | 1.35Å | 1.32Å | Aromatic |
| CAN | NBU | doub | 1.30Å | 1.34Å | Aromatic |
| CAQ | NBS | sing | 1.46Å | 1.51Å | |
| CAQ | CB | sing | 1.53Å | 1.62Å | |
| CAR | CBP | sing | 1.53Å | 1.57Å | |
| CAR | NBS | sing | 1.46Å | 1.46Å | |
| C | O | doub | 1.21Å | 1.22Å | |
| C | OXT | sing | 1.34Å | 1.22Å | |
| NAT | CBE | sing | 1.33Å | 1.35Å | Aromatic |
| NAV | CBI | doub | 1.34Å | 1.37Å | Aromatic |
| NAX | CBG | sing | 1.38Å | 1.34Å | Aromatic |
| NAY | CBC | sing | 1.35Å | 1.49Å | |
| NAY | CBE | sing | 1.39Å | 1.52Å | |
| OAD | CBC | doub | 1.22Å | 1.18Å | |
| OAH | CBL | sing | 1.43Å | 1.34Å | |
| OAJ | CBN | sing | 1.43Å | 1.51Å | |
| CBC | NBS | sing | 1.35Å | 1.51Å | |
| CBE | CBG | doub | 1.39Å | 1.40Å | Aromatic |
| CBG | CBI | sing | 1.41Å | 1.40Å | Aromatic |
| CBI | NBU | sing | 1.35Å | 1.33Å | Aromatic |
| CBL | CBN | sing | 1.54Å | 1.58Å | |
| CBL | CBP | sing | 1.54Å | 1.53Å | |
| CBN | CBR | sing | 1.54Å | 1.29Å | |
| CBP | OBA | sing | 1.44Å | 1.32Å | |
| CBR | OBA | sing | 1.44Å | 1.63Å | |
| CBR | N9 | sing | 1.47Å | 1.46Å | |
| N1 | C2 | doub | 1.32Å | 1.34Å | Aromatic |
| N1 | C6 | sing | 1.33Å | 1.31Å | Aromatic |
| C2 | N3 | sing | 1.32Å | 1.34Å | Aromatic |
| N3 | C4 | doub | 1.33Å | 1.33Å | Aromatic |
| C4 | C5 | sing | 1.41Å | 1.38Å | Aromatic |
| C4 | N9 | sing | 1.37Å | 1.34Å | Aromatic |
| C5 | C6 | doub | 1.40Å | 1.42Å | Aromatic |
| C5 | N7 | sing | 1.35Å | 1.35Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.47Å | |
| N7 | C8 | doub | 1.30Å | 1.33Å | Aromatic |
| C8 | N9 | sing | 1.36Å | 1.34Å | Aromatic |
| C8 | H81 | sing | 1.08Å | 1.08Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| OXT | H3 | sing | 0.97Å | 0.95Å | |
| C2 | H21 | sing | 1.08Å | 1.08Å | |
| CAL | HAL1 | sing | 1.08Å | 1.08Å | |
| CAN | HAN1 | sing | 1.08Å | 1.08Å | |
| CAQ | HAQ2 | sing | 1.09Å | 1.10Å | |
| CAQ | HAQ1 | sing | 1.09Å | 1.10Å | |
| CAR | HAR1 | sing | 1.09Å | 1.10Å | |
| CAR | HAR2 | sing | 1.09Å | 1.10Å | |
| CBL | HBL1 | sing | 1.09Å | 1.10Å | |
| CBN | HBN1 | sing | 1.09Å | 1.10Å | |
| CBP | HBP1 | sing | 1.09Å | 1.10Å | |
| CBR | HBR1 | sing | 1.09Å | 1.10Å | |
| N6 | H61 | sing | 0.97Å | 1.00Å | |
| N6 | H62 | sing | 0.97Å | 1.00Å | |
| NAX | H4 | sing | 0.97Å | 1.00Å | |
| NAY | HAY1 | sing | 0.97Å | 1.00Å | |
| OAH | HAH1 | sing | 0.97Å | 0.95Å | |
| OAJ | HAJ1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | CA | C | 106.1° | 109.4° |
| N | CA | CB | 111.6° | 109.5° |
| CA | N | H2 | 109.5° | 111.0° |
| CA | N | H | 109.4° | 111.0° |
| N | CA | HA | 110.2° | 109.5° |
| C | CA | CB | 111.1° | 109.5° |
| CA | C | O | 121.1° | 120.0° |
| CA | C | OXT | 117.5° | 120.0° |
| C | CA | HA | 109.2° | 109.5° |
| CA | CB | CAQ | 119.0° | 109.4° |
| CB | CA | HA | 108.6° | 109.5° |
| CA | CB | HB3 | 107.1° | 109.5° |
| CA | CB | HB2 | 107.0° | 109.5° |
| NAT | CAL | NAV | 120.9° | 122.5° |
| CAL | NAT | CBE | 121.3° | 121.1° |
| NAT | CAL | HAL1 | 119.5° | 118.7° |
| CAL | NAV | CBI | 121.4° | 120.6° |
| NAV | CAL | HAL1 | 119.6° | 118.7° |
| NAX | CAN | NBU | 109.4° | 110.1° |
| CAN | NAX | CBG | 108.6° | 107.1° |
| NAX | CAN | HAN1 | 125.3° | 124.9° |
| CAN | NAX | H4 | 125.7° | 126.4° |
| CAN | NBU | CBI | 108.3° | 109.8° |
| NBU | CAN | HAN1 | 125.3° | 125.0° |
| NBS | CAQ | CB | 99.8° | 109.5° |
| CAQ | NBS | CAR | 118.9° | 120.1° |
| CAQ | NBS | CBC | 122.0° | 120.0° |
| NBS | CAQ | HAQ2 | 111.8° | 109.4° |
| NBS | CAQ | HAQ1 | 111.8° | 109.5° |
| CAQ | CB | HB3 | 107.0° | 109.5° |
| CAQ | CB | HB2 | 107.0° | 109.5° |
| CB | CAQ | HAQ2 | 111.8° | 109.5° |
| CB | CAQ | HAQ1 | 111.8° | 109.5° |
| CBP | CAR | NBS | 109.2° | 109.5° |
| CAR | CBP | CBL | 109.9° | 110.4° |
| CAR | CBP | OBA | 106.6° | 110.3° |
| CBP | CAR | HAR1 | 109.6° | 109.5° |
| CBP | CAR | HAR2 | 109.6° | 109.5° |
| CAR | CBP | HBP1 | 109.8° | 110.3° |
| CAR | NBS | CBC | 118.9° | 120.0° |
| NBS | CAR | HAR1 | 109.6° | 109.5° |
| NBS | CAR | HAR2 | 109.5° | 109.5° |
| O | C | OXT | 121.4° | 120.0° |
| C | OXT | H3 | 109.5° | 117.0° |
| NAT | CBE | NAY | 117.2° | 120.7° |
| NAT | CBE | CBG | 119.9° | 118.5° |
| NAV | CBI | CBG | 119.1° | 118.6° |
| NAV | CBI | NBU | 134.0° | 134.5° |
| NAX | CBG | CBE | 135.9° | 135.3° |
| NAX | CBG | CBI | 106.7° | 106.1° |
| CBG | NAX | H4 | 125.7° | 126.5° |
| CBC | NAY | CBE | 120.7° | 120.0° |
| NAY | CBC | OAD | 120.7° | 120.0° |
| NAY | CBC | NBS | 118.7° | 120.0° |
| CBC | NAY | HAY1 | 119.6° | 120.0° |
| NAY | CBE | CBG | 122.9° | 120.7° |
| CBE | NAY | HAY1 | 119.6° | 120.0° |
| OAD | CBC | NBS | 120.6° | 120.0° |
| OAH | CBL | CBN | 111.1° | 110.5° |
| OAH | CBL | CBP | 108.1° | 110.5° |
| OAH | CBL | HBL1 | 113.2° | 110.5° |
| CBL | OAH | HAH1 | 109.5° | 114.0° |
| OAJ | CBN | CBL | 110.1° | 110.5° |
| OAJ | CBN | CBR | 109.6° | 110.5° |
| OAJ | CBN | HBN1 | 111.0° | 110.6° |
| CBN | OAJ | HAJ1 | 109.5° | 114.0° |
| CBE | CBG | CBI | 117.4° | 118.6° |
| CBG | CBI | NBU | 106.9° | 106.8° |
| CBN | CBL | CBP | 104.3° | 104.1° |
| CBL | CBN | CBR | 101.0° | 104.1° |
| CBN | CBL | HBL1 | 109.5° | 110.5° |
| CBL | CBN | HBN1 | 109.9° | 110.6° |
| CBL | CBP | OBA | 106.2° | 104.8° |
| CBP | CBL | HBL1 | 110.2° | 110.6° |
| CBL | CBP | HBP1 | 110.4° | 110.4° |
| CBN | CBR | OBA | 104.9° | 104.8° |
| CBN | CBR | N9 | 116.0° | 110.4° |
| CBR | CBN | HBN1 | 114.8° | 110.5° |
| CBN | CBR | HBR1 | 110.8° | 110.4° |
| CBP | OBA | CBR | 106.1° | 105.2° |
| OBA | CBP | HBP1 | 113.7° | 110.5° |
| OBA | CBR | N9 | 110.3° | 110.4° |
| OBA | CBR | HBR1 | 106.2° | 110.4° |
| CBR | N9 | C4 | 123.3° | 126.3° |
| CBR | N9 | C8 | 128.0° | 126.3° |
| N9 | CBR | HBR1 | 108.2° | 110.4° |
| C2 | N1 | C6 | 120.4° | 121.2° |
| N1 | C2 | N3 | 122.1° | 122.5° |
| N1 | C2 | H21 | 118.9° | 118.8° |
| N1 | C6 | C5 | 119.1° | 118.5° |
| N1 | C6 | N6 | 120.8° | 120.7° |
| C2 | N3 | C4 | 120.5° | 120.6° |
| N3 | C2 | H21 | 118.9° | 118.7° |
| N3 | C4 | C5 | 119.0° | 119.1° |
| N3 | C4 | N9 | 134.0° | 134.9° |
| C5 | C4 | N9 | 106.9° | 106.0° |
| C4 | C5 | C6 | 118.8° | 118.1° |
| C4 | C5 | N7 | 106.8° | 107.2° |
| C4 | N9 | C8 | 108.7° | 107.5° |
| C6 | C5 | N7 | 134.4° | 134.7° |
| C5 | C6 | N6 | 120.1° | 120.8° |
| C5 | N7 | C8 | 108.9° | 109.4° |
| C6 | N6 | H61 | 109.5° | 120.0° |
| C6 | N6 | H62 | 109.5° | 120.0° |
| N7 | C8 | N9 | 108.7° | 110.0° |
| N7 | C8 | H81 | 125.7° | 125.0° |
| N9 | C8 | H81 | 125.7° | 125.0° |
| H2 | N | H | 109.5° | 111.0° |
| HB3 | CB | HB2 | 109.5° | 109.5° |
| HAQ2 | CAQ | HAQ1 | 109.5° | 109.4° |
| HAR1 | CAR | HAR2 | 109.4° | 109.4° |
| H61 | N6 | H62 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | CA | C | CB | 121.5° | 120.0° |
| N | CA | C | HA | 118.8° | 120.0° |
| N | CA | CB | HA | 121.7° | 120.0° |
| N | CA | CB | CAQ | 164.5° | 65.0° |
| N | CA | C | O | 163.8° | 20.0° |
| N | CA | C | OXT | 15.8° | 160.0° |
| CA | N | H2 | H | 120.0° | 123.9° |
| N | CA | CB | HB3 | 43.1° | 54.9° |
| N | CA | CB | HB2 | 74.2° | 175.0° |
| C | CA | CB | HA | 120.0° | 120.0° |
| C | CA | CB | CAQ | 77.3° | 175.0° |
| CA | C | O | OXT | 179.6° | 180.0° |
| C | CA | N | H2 | 180.0° | 60.0° |
| C | CA | N | H | 60.0° | 176.0° |
| C | CA | CB | HB3 | 161.4° | 65.0° |
| C | CA | CB | HB2 | 44.1° | 55.0° |
| CA | C | OXT | H3 | 179.6° | 180.0° |
| CA | CB | CAQ | NBS | 178.2° | 179.9° |
| CA | CB | CAQ | HB3 | 121.4° | 120.0° |
| CA | CB | CAQ | HB2 | 121.4° | 120.0° |
| CB | CA | C | O | 42.3° | 100.0° |
| CB | CA | C | OXT | 137.2° | 80.0° |
| CB | CA | N | H2 | 58.9° | 60.0° |
| CB | CA | N | H | 178.9° | 64.0° |
| CA | CB | HB3 | HB2 | 115.7° | 120.1° |
| CA | CB | CAQ | HAQ2 | 59.8° | 60.0° |
| CA | CB | CAQ | HAQ1 | 63.5° | 60.0° |
| NAT | CAL | NAV | HAL1 | 180.0° | 179.6° |
| NAT | CAL | NAV | CBI | 0.3° | 0.1° |
| CAL | NAT | CBE | NAY | 179.3° | 180.0° |
| CAL | NAT | CBE | CBG | 1.4° | 0.0° |
| NAV | CAL | NAT | CBE | 0.5° | 0.1° |
| CAL | NAV | CBI | CBG | 0.2° | 0.1° |
| CAL | NAV | CBI | NBU | 179.7° | 180.0° |
| NAX | CAN | NBU | HAN1 | 180.0° | 180.0° |
| CAN | NAX | CBG | H4 | 180.0° | 180.0° |
| CAN | NAX | CBG | CBE | 179.1° | 180.0° |
| CAN | NAX | CBG | CBI | 0.0° | 0.0° |
| NAX | CAN | NBU | CBI | 0.1° | 0.0° |
| CAN | NBU | CBI | NAV | 180.0° | 179.9° |
| NBU | CAN | NAX | CBG | 0.1° | 0.0° |
| CAN | NBU | CBI | CBG | 0.1° | 0.0° |
| NBU | CAN | NAX | H4 | 180.0° | 180.0° |
| NBS | CAQ | CB | HAQ2 | 118.4° | 120.0° |
| NBS | CAQ | CB | HAQ1 | 118.4° | 120.1° |
| CAQ | NBS | CAR | CBP | 56.5° | 90.0° |
| CAQ | NBS | CAR | CBC | 175.8° | 180.0° |
| CAQ | NBS | CBC | NAY | 178.0° | 0.0° |
| CAQ | NBS | CBC | OAD | 3.2° | 179.9° |
| NBS | CAQ | CB | HB3 | 56.8° | 60.0° |
| NBS | CAQ | CB | HB2 | 60.5° | 59.9° |
| NBS | CAQ | HAQ2 | HAQ1 | 124.5° | 120.0° |
| CAQ | NBS | CAR | HAR1 | 176.5° | 30.0° |
| CAQ | NBS | CAR | HAR2 | 63.4° | 149.9° |
| CB | CAQ | NBS | CAR | 83.5° | 90.0° |
| CB | CAQ | NBS | CBC | 92.2° | 90.0° |
| CAQ | CB | CA | HA | 42.8° | 55.0° |
| CAQ | CB | HB3 | HB2 | 115.7° | 120.0° |
| CB | CAQ | HAQ2 | HAQ1 | 124.5° | 120.0° |
| CBP | CAR | NBS | HAR1 | 120.0° | 120.0° |
| CBP | CAR | NBS | HAR2 | 120.0° | 120.1° |
| CAR | CBP | CBL | OAH | 138.7° | 98.6° |
| CBP | CAR | NBS | CBC | 127.7° | 90.0° |
| CAR | CBP | CBL | CBN | 103.0° | 142.8° |
| CAR | CBP | CBL | OBA | 115.0° | 118.7° |
| CAR | CBP | CBL | HBP1 | 121.3° | 122.2° |
| CAR | CBP | OBA | HBP1 | 121.2° | 122.2° |
| CAR | CBP | OBA | CBR | 128.0° | 159.4° |
| CBP | CAR | HAR1 | HAR2 | 120.1° | 120.0° |
| CAR | CBP | CBL | HBL1 | 14.4° | 24.1° |
| CAR | NBS | CBC | NAY | 2.3° | 180.0° |
| CAR | NBS | CBC | OAD | 178.9° | 0.1° |
| NBS | CAR | CBP | CBL | 68.3° | 175.0° |
| NBS | CAR | CBP | OBA | 176.9° | 69.7° |
| CAR | NBS | CAQ | HAQ2 | 34.9° | 30.0° |
| CAR | NBS | CAQ | HAQ1 | 158.1° | 150.0° |
| NBS | CAR | HAR1 | HAR2 | 120.1° | 119.9° |
| NBS | CAR | CBP | HBP1 | 53.2° | 52.7° |
| O | C | CA | HA | 77.4° | 140.0° |
| O | C | OXT | H3 | 0.0° | 0.0° |
| OXT | C | CA | HA | 103.0° | 40.0° |
| NAT | CBE | CBG | NAX | 179.5° | 180.0° |
| NAT | CBE | NAY | CBC | 122.1° | 0.0° |
| NAT | CBE | NAY | CBG | 177.9° | 180.0° |
| NAT | CBE | CBG | CBI | 1.4° | 0.0° |
| CBE | NAT | CAL | HAL1 | 179.5° | 179.7° |
| NAT | CBE | NAY | HAY1 | 57.9° | 180.0° |
| NAV | CBI | CBG | NAX | 180.0° | 180.0° |
| NAV | CBI | CBG | CBE | 0.7° | 0.1° |
| NAV | CBI | CBG | NBU | 179.9° | 179.9° |
| CBI | NAV | CAL | HAL1 | 179.7° | 179.7° |
| NAX | CBG | CBE | NAY | 1.7° | 0.0° |
| NAX | CBG | CBE | CBI | 179.0° | 180.0° |
| NAX | CBG | CBI | NBU | 0.1° | 0.0° |
| CBG | NAX | CAN | HAN1 | 179.9° | 180.0° |
| CBC | NAY | CBE | HAY1 | 180.0° | 180.0° |
| NAY | CBC | OAD | NBS | 178.8° | 179.9° |
| CBC | NAY | CBE | CBG | 55.7° | 179.9° |
| CBE | NAY | CBC | OAD | 2.2° | 0.1° |
| CBE | NAY | CBC | NBS | 179.0° | 180.0° |
| NAY | CBE | CBG | CBI | 179.2° | 180.0° |
| OAD | CBC | NAY | HAY1 | 177.8° | 180.0° |
| OAH | CBL | CBN | OAJ | 34.9° | 0.1° |
| OAH | CBL | CBN | CBP | 116.2° | 118.7° |
| OAH | CBL | CBN | HBL1 | 125.8° | 122.6° |
| OAH | CBL | CBP | HBL1 | 124.2° | 122.7° |
| OAH | CBL | CBN | CBR | 80.9° | 118.7° |
| OAH | CBL | CBP | OBA | 106.3° | 142.7° |
| OAH | CBL | CBN | HBN1 | 157.5° | 122.7° |
| OAH | CBL | CBP | HBP1 | 17.4° | 23.6° |
| OAJ | CBN | CBL | CBR | 115.8° | 118.6° |
| OAJ | CBN | CBL | HBN1 | 122.6° | 122.7° |
| OAJ | CBN | CBL | CBP | 151.1° | 118.6° |
| OAJ | CBN | CBR | HBN1 | 125.6° | 122.7° |
| OAJ | CBN | CBR | OBA | 156.8° | 142.6° |
| OAJ | CBN | CBR | N9 | 81.2° | 98.5° |
| OAJ | CBN | CBL | HBL1 | 90.9° | 122.7° |
| OAJ | CBN | CBR | HBR1 | 42.6° | 23.8° |
| CBC | NBS | CAQ | HAQ2 | 149.4° | 150.0° |
| CBC | NBS | CAQ | HAQ1 | 26.2° | 30.1° |
| CBC | NBS | CAR | HAR1 | 7.7° | 150.0° |
| CBC | NBS | CAR | HAR2 | 112.3° | 30.1° |
| NBS | CBC | NAY | HAY1 | 1.0° | 0.0° |
| CBE | CBG | CBI | NBU | 179.4° | 180.0° |
| CBE | CBG | NAX | H4 | 0.8° | 0.0° |
| CBG | CBE | NAY | HAY1 | 124.2° | 0.0° |
| CBI | CBG | NAX | H4 | 180.0° | 180.0° |
| CBI | NBU | CAN | HAN1 | 179.9° | 180.0° |
| CBN | CBL | CBP | HBL1 | 117.4° | 118.7° |
| CBL | CBN | CBR | HBN1 | 118.2° | 118.7° |
| CBN | CBL | CBP | OBA | 12.0° | 24.0° |
| CBL | CBN | CBR | OBA | 40.6° | 24.0° |
| CBL | CBN | CBR | N9 | 162.6° | 142.8° |
| CBN | CBL | CBP | HBP1 | 135.7° | 95.0° |
| CBL | CBN | CBR | HBR1 | 73.6° | 94.8° |
| CBN | CBL | OAH | HAH1 | 180.0° | 61.5° |
| CBL | CBN | OAJ | HAJ1 | 180.0° | 61.5° |
| CBP | CBL | CBN | CBR | 35.4° | 0.0° |
| CBL | CBP | OBA | HBP1 | 121.6° | 119.0° |
| CBL | CBP | OBA | CBR | 10.8° | 40.6° |
| CBL | CBP | CAR | HAR1 | 51.6° | 55.0° |
| CBL | CBP | CAR | HAR2 | 171.7° | 65.0° |
| CBP | CBL | CBN | HBN1 | 86.3° | 118.6° |
| CBP | CBL | OAH | HAH1 | 66.1° | 176.1° |
| CBN | CBR | OBA | CBP | 36.3° | 40.5° |
| CBN | CBR | OBA | N9 | 125.6° | 118.8° |
| CBN | CBR | OBA | HBR1 | 117.3° | 118.8° |
| CBN | CBR | N9 | HBR1 | 125.1° | 122.3° |
| CBN | CBR | N9 | C4 | 148.7° | 85.0° |
| CBN | CBR | N9 | C8 | 29.9° | 95.0° |
| CBR | CBN | CBL | HBL1 | 153.3° | 118.7° |
| CBR | CBN | OAJ | HAJ1 | 69.7° | 176.1° |
| CBP | OBA | CBR | N9 | 161.9° | 159.4° |
| OBA | CBP | CAR | HAR1 | 63.1° | 170.3° |
| OBA | CBP | CAR | HAR2 | 57.0° | 50.4° |
| OBA | CBP | CBL | HBL1 | 129.4° | 94.6° |
| CBP | OBA | CBR | HBR1 | 81.0° | 78.3° |
| OBA | CBR | N9 | HBR1 | 115.8° | 122.3° |
| OBA | CBR | N9 | C4 | 92.2° | 159.6° |
| OBA | CBR | N9 | C8 | 89.1° | 20.4° |
| OBA | CBR | CBN | HBN1 | 77.6° | 94.7° |
| CBR | OBA | CBP | HBP1 | 110.8° | 78.4° |
| CBR | N9 | C4 | N3 | 0.0° | 0.0° |
| CBR | N9 | C4 | C5 | 179.0° | 180.0° |
| CBR | N9 | C4 | C8 | 178.9° | 180.0° |
| CBR | N9 | C8 | N7 | 179.1° | 180.0° |
| CBR | N9 | C8 | H81 | 0.9° | 0.0° |
| N9 | CBR | CBN | HBN1 | 44.4° | 24.1° |
| N1 | C2 | N3 | H21 | 180.0° | 180.0° |
| N1 | C2 | N3 | C4 | 0.5° | 0.0° |
| C2 | N1 | C6 | C5 | 0.2° | 0.0° |
| C2 | N1 | C6 | N6 | 179.8° | 180.0° |
| C6 | N1 | C2 | N3 | 0.2° | 0.0° |
| N1 | C6 | C5 | C4 | 0.4° | 0.1° |
| N1 | C6 | C5 | N6 | 179.6° | 180.0° |
| N1 | C6 | C5 | N7 | 180.0° | 179.9° |
| C6 | N1 | C2 | H21 | 179.8° | 180.0° |
| N1 | C6 | N6 | H61 | 0.0° | 0.0° |
| N1 | C6 | N6 | H62 | 120.0° | 180.0° |
| C2 | N3 | C4 | C5 | 1.1° | 0.0° |
| C2 | N3 | C4 | N9 | 179.9° | 180.0° |
| N3 | C4 | C5 | N9 | 179.1° | 180.0° |
| N3 | C4 | C5 | C6 | 1.0° | 0.1° |
| N3 | C4 | C5 | N7 | 179.3° | 180.0° |
| N3 | C4 | N9 | C8 | 178.9° | 180.0° |
| C4 | N3 | C2 | H21 | 179.5° | 180.0° |
| C4 | C5 | C6 | N7 | 179.6° | 179.9° |
| C4 | C5 | C6 | N6 | 179.2° | 180.0° |
| C4 | C5 | N7 | C8 | 0.3° | 0.0° |
| C5 | C4 | N9 | C8 | 0.1° | 0.0° |
| N9 | C4 | C5 | C6 | 179.8° | 179.9° |
| N9 | C4 | C5 | N7 | 0.1° | 0.0° |
| C4 | N9 | C8 | N7 | 0.2° | 0.0° |
| C4 | N9 | C8 | H81 | 179.8° | 180.0° |
| C4 | N9 | CBR | HBR1 | 23.6° | 37.3° |
| C6 | C5 | N7 | C8 | 179.9° | 179.9° |
| C5 | C6 | N6 | H61 | 179.6° | 179.9° |
| C5 | C6 | N6 | H62 | 59.6° | 0.0° |
| N7 | C5 | C6 | N6 | 0.4° | 0.1° |
| C5 | N7 | C8 | N9 | 0.3° | 0.0° |
| C5 | N7 | C8 | H81 | 179.7° | 180.0° |
| C6 | N6 | H61 | H62 | 120.0° | 179.9° |
| N7 | C8 | N9 | H81 | 180.0° | 180.0° |
| C8 | N9 | CBR | HBR1 | 155.1° | 142.7° |
| H2 | N | CA | HA | 61.9° | 180.0° |
| H | N | CA | HA | 58.1° | 56.1° |
| HA | CA | CB | HB3 | 78.6° | 175.0° |
| HA | CA | CB | HB2 | 164.1° | 65.0° |
| HB3 | CB | CAQ | HAQ2 | 61.6° | 180.0° |
| HB3 | CB | CAQ | HAQ1 | 175.2° | 60.0° |
| HB2 | CB | CAQ | HAQ2 | 178.9° | 60.0° |
| HB2 | CB | CAQ | HAQ1 | 57.9° | 180.0° |
| HAN1 | CAN | NAX | H4 | 0.1° | 0.0° |
| HAR1 | CAR | CBP | HBP1 | 173.2° | 67.3° |
| HAR2 | CAR | CBP | HBP1 | 66.7° | 172.8° |
| HBL1 | CBL | CBN | HBN1 | 31.6° | 0.1° |
| HBL1 | CBL | CBP | HBP1 | 106.8° | 146.3° |
| HBL1 | CBL | OAH | HAH1 | 56.3° | 61.1° |
| HBN1 | CBN | CBR | HBR1 | 168.2° | 146.5° |
| HBN1 | CBN | OAJ | HAJ1 | 58.1° | 61.2° |
