GHC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N3 | C4 | sing | 1.35Å | 1.41Å | |
| C4 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | S4 | sing | 1.76Å | 1.69Å | Aromatic |
| C6 | C5 | sing | 1.43Å | 1.42Å | |
| C5 | C1 | sing | 1.45Å | 1.42Å | Aromatic |
| N1 | C6 | sing | 1.35Å | 1.42Å | |
| O6 | C6 | doub | 1.22Å | 1.23Å | |
| C3 | C13 | sing | 1.51Å | 1.56Å | |
| C13 | C29 | sing | 1.53Å | 1.57Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C2 | N1 | sing | 1.36Å | 1.36Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| N2 | C2 | sing | 1.37Å | 1.37Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| N2 | HN2A | sing | 0.97Å | 1.00Å | |
| S4 | C3 | sing | 1.75Å | 1.71Å | Aromatic |
| C1 | C3 | doub | 1.32Å | 1.36Å | Aromatic |
| C2 | N3 | doub | 1.31Å | 1.30Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H29A | sing | 1.09Å | 1.10Å | |
| C29 | H29B | sing | 1.09Å | 1.10Å | |
| C1 | SAT | sing | 1.76Å | 1.79Å | |
| CAZ | SAT | sing | 1.76Å | 1.78Å | |
| CAJ | CAZ | doub | 1.39Å | 1.35Å | Aromatic |
| CAZ | CAI | sing | 1.39Å | 1.39Å | Aromatic |
| CAL | CAJ | sing | 1.37Å | 1.40Å | Aromatic |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAL | CBA | doub | 1.40Å | 1.40Å | Aromatic |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CAK | CAI | doub | 1.37Å | 1.38Å | Aromatic |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CBA | CAK | sing | 1.40Å | 1.36Å | Aromatic |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CBA | CAX | sing | 1.47Å | 1.51Å | |
| NAS | CAX | sing | 1.35Å | 1.32Å | |
| CAX | OAE | doub | 1.22Å | 1.27Å | |
| CAP | NAS | sing | 1.47Å | 1.49Å | |
| NAS | HNAS | sing | 0.97Å | 1.00Å | |
| CBG | CAP | sing | 1.53Å | 1.51Å | |
| CAW | CAP | sing | 1.51Å | 1.51Å | |
| CAP | HAP | sing | 1.09Å | 1.10Å | |
| OAD | CAW | doub | 1.21Å | 1.27Å | |
| CAW | OAG | sing | 1.34Å | 1.27Å | |
| OAG | HOAG | sing | 0.97Å | 0.95Å | |
| CAN | CBG | sing | 1.53Å | 1.54Å | |
| CBG | HBG | sing | 1.09Å | 1.10Å | |
| CBG | HBGA | sing | 1.09Å | 1.10Å | |
| CAV | CAN | sing | 1.51Å | 1.55Å | |
| CAN | HAN | sing | 1.09Å | 1.10Å | |
| CAN | HANA | sing | 1.09Å | 1.10Å | |
| OAC | CAV | doub | 1.21Å | 1.18Å | |
| CAV | OAF | sing | 1.34Å | 1.24Å | |
| OAF | HOAF | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N3 | C4 | C5 | 124.5° | 119.6° |
| N3 | C4 | S4 | 121.8° | 130.7° |
| C4 | N3 | C2 | 114.5° | 121.6° |
| C5 | C4 | S4 | 113.7° | 109.7° |
| C4 | C5 | C6 | 118.4° | 118.0° |
| C4 | C5 | C1 | 109.2° | 112.1° |
| C4 | S4 | C3 | 91.2° | 92.3° |
| C6 | C5 | C1 | 132.3° | 129.9° |
| C5 | C6 | N1 | 114.4° | 118.9° |
| C5 | C6 | O6 | 127.6° | 120.5° |
| C5 | C1 | C3 | 113.9° | 114.7° |
| C5 | C1 | SAT | 124.6° | 122.6° |
| N1 | C6 | O6 | 117.7° | 120.6° |
| C6 | N1 | C2 | 122.3° | 120.3° |
| C6 | N1 | HN1 | 118.8° | 119.8° |
| C3 | C13 | C29 | 109.3° | 109.5° |
| C3 | C13 | H13 | 109.5° | 109.5° |
| C3 | C13 | H13A | 109.5° | 109.4° |
| C13 | C3 | S4 | 122.2° | 124.4° |
| C13 | C3 | C1 | 125.5° | 124.4° |
| C29 | C13 | H13 | 109.5° | 109.5° |
| C29 | C13 | H13A | 109.5° | 109.5° |
| C13 | C29 | H29 | 109.5° | 109.5° |
| C13 | C29 | H29A | 109.5° | 109.5° |
| C13 | C29 | H29B | 109.5° | 109.5° |
| H13 | C13 | H13A | 109.4° | 109.5° |
| C2 | N1 | HN1 | 118.9° | 119.8° |
| N1 | C2 | N2 | 116.2° | 119.2° |
| N1 | C2 | N3 | 125.2° | 121.6° |
| C2 | N2 | HN2 | 109.1° | 120.0° |
| C2 | N2 | HN2A | 125.4° | 120.0° |
| N2 | C2 | N3 | 118.5° | 119.2° |
| HN2 | N2 | HN2A | 125.4° | 120.0° |
| S4 | C3 | C1 | 112.0° | 111.3° |
| C3 | C1 | SAT | 121.4° | 122.7° |
| H29 | C29 | H29A | 109.5° | 109.5° |
| H29 | C29 | H29B | 109.4° | 109.5° |
| H29A | C29 | H29B | 109.5° | 109.4° |
| C1 | SAT | CAZ | 101.9° | 103.1° |
| SAT | CAZ | CAJ | 121.0° | 119.9° |
| SAT | CAZ | CAI | 117.9° | 120.0° |
| CAJ | CAZ | CAI | 121.1° | 120.1° |
| CAZ | CAJ | CAL | 118.7° | 120.1° |
| CAZ | CAJ | HAJ | 120.7° | 120.0° |
| CAZ | CAI | CAK | 121.5° | 120.1° |
| CAZ | CAI | HAI | 119.2° | 120.0° |
| CAL | CAJ | HAJ | 120.7° | 119.9° |
| CAJ | CAL | CBA | 119.3° | 119.9° |
| CAJ | CAL | HAL | 120.3° | 120.0° |
| CBA | CAL | HAL | 120.3° | 120.1° |
| CAL | CBA | CAK | 122.0° | 119.9° |
| CAL | CBA | CAX | 119.7° | 120.0° |
| CAK | CAI | HAI | 119.2° | 120.0° |
| CAI | CAK | CBA | 117.3° | 119.9° |
| CAI | CAK | HAK | 121.4° | 120.0° |
| CBA | CAK | HAK | 121.4° | 120.0° |
| CAK | CBA | CAX | 118.3° | 120.1° |
| CBA | CAX | NAS | 118.6° | 120.0° |
| CBA | CAX | OAE | 119.6° | 120.0° |
| NAS | CAX | OAE | 121.8° | 120.0° |
| CAX | NAS | CAP | 122.1° | 120.0° |
| CAX | NAS | HNAS | 119.0° | 120.0° |
| CAP | NAS | HNAS | 119.0° | 120.0° |
| NAS | CAP | CBG | 111.6° | 109.5° |
| NAS | CAP | CAW | 106.2° | 109.4° |
| NAS | CAP | HAP | 110.2° | 109.4° |
| CBG | CAP | CAW | 109.2° | 109.5° |
| CBG | CAP | HAP | 107.2° | 109.5° |
| CAP | CBG | CAN | 114.2° | 109.5° |
| CAP | CBG | HBG | 107.9° | 109.5° |
| CAP | CBG | HBGA | 106.8° | 109.5° |
| CAW | CAP | HAP | 112.5° | 109.5° |
| CAP | CAW | OAD | 120.3° | 120.1° |
| CAP | CAW | OAG | 117.1° | 120.0° |
| OAD | CAW | OAG | 122.6° | 120.0° |
| CAW | OAG | HOAG | 109.5° | 117.0° |
| CAN | CBG | HBG | 107.9° | 109.4° |
| CAN | CBG | HBGA | 106.9° | 109.5° |
| CBG | CAN | CAV | 113.4° | 109.5° |
| CBG | CAN | HAN | 108.2° | 109.5° |
| CBG | CAN | HANA | 107.3° | 109.5° |
| HBG | CBG | HBGA | 113.2° | 109.5° |
| CAV | CAN | HAN | 108.2° | 109.5° |
| CAV | CAN | HANA | 107.3° | 109.5° |
| CAN | CAV | OAC | 113.7° | 120.0° |
| CAN | CAV | OAF | 119.0° | 120.0° |
| HAN | CAN | HANA | 112.6° | 109.4° |
| OAC | CAV | OAF | 125.3° | 120.0° |
| CAV | OAF | HOAF | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N3 | C4 | C5 | S4 | 178.7° | 179.8° |
| N3 | C4 | C5 | C6 | 4.1° | 0.2° |
| N3 | C4 | C5 | C1 | 179.6° | 179.8° |
| C4 | N3 | C2 | N1 | 4.2° | 0.5° |
| C4 | N3 | C2 | N2 | 176.5° | 179.8° |
| N3 | C4 | S4 | C3 | 179.1° | 179.7° |
| C4 | C5 | C6 | C1 | 175.3° | 180.0° |
| C4 | C5 | C6 | N1 | 9.2° | 0.1° |
| C4 | C5 | C6 | O6 | 176.4° | 180.0° |
| C5 | C4 | S4 | C3 | 0.4° | 0.0° |
| C4 | C5 | C1 | C3 | 1.1° | 0.0° |
| C5 | C4 | N3 | C2 | 2.9° | 0.5° |
| C4 | C5 | C1 | SAT | 176.7° | 180.0° |
| S4 | C4 | C5 | C6 | 177.2° | 180.0° |
| S4 | C4 | C5 | C1 | 0.9° | 0.0° |
| C4 | S4 | C3 | C13 | 173.7° | 179.9° |
| C4 | S4 | C3 | C1 | 0.3° | 0.0° |
| S4 | C4 | N3 | C2 | 175.7° | 179.8° |
| C5 | C6 | N1 | O6 | 175.0° | 179.9° |
| C5 | C6 | N1 | C2 | 8.4° | 0.1° |
| C5 | C6 | N1 | HN1 | 171.6° | 180.0° |
| C6 | C5 | C1 | C3 | 176.7° | 180.0° |
| C6 | C5 | C1 | SAT | 1.1° | 0.0° |
| C1 | C5 | C6 | N1 | 175.5° | 180.0° |
| C1 | C5 | C6 | O6 | 1.0° | 0.0° |
| C5 | C1 | C3 | C13 | 172.8° | 179.9° |
| C5 | C1 | C3 | S4 | 0.9° | 0.0° |
| C5 | C1 | C3 | SAT | 177.9° | 180.0° |
| C5 | C1 | SAT | CAZ | 85.2° | 90.0° |
| C6 | N1 | C2 | HN1 | 180.0° | 180.0° |
| C6 | N1 | C2 | N2 | 177.8° | 179.9° |
| C6 | N1 | C2 | N3 | 1.5° | 0.2° |
| O6 | C6 | N1 | C2 | 176.6° | 180.0° |
| O6 | C6 | N1 | HN1 | 3.4° | 0.0° |
| C3 | C13 | C29 | H13 | 120.0° | 120.1° |
| C3 | C13 | C29 | H13A | 120.0° | 120.0° |
| C3 | C13 | H13 | H13A | 120.0° | 120.0° |
| C13 | C3 | S4 | C1 | 173.9° | 179.9° |
| C3 | C13 | C29 | H29 | 6.3° | 59.9° |
| C3 | C13 | C29 | H29A | 126.3° | 60.0° |
| C3 | C13 | C29 | H29B | 113.7° | 180.0° |
| C13 | C3 | C1 | SAT | 9.2° | 0.0° |
| C29 | C13 | H13 | H13A | 120.1° | 120.0° |
| C29 | C13 | C3 | S4 | 89.4° | 90.0° |
| C29 | C13 | C3 | C1 | 83.7° | 89.9° |
| C13 | C29 | H29 | H29A | 120.0° | 120.0° |
| C13 | C29 | H29 | H29B | 120.0° | 120.1° |
| C13 | C29 | H29A | H29B | 120.0° | 120.0° |
| H13 | C13 | C3 | S4 | 30.6° | 30.0° |
| H13 | C13 | C3 | C1 | 156.3° | 150.0° |
| H13 | C13 | C29 | H29 | 113.7° | 180.0° |
| H13 | C13 | C29 | H29A | 6.3° | 60.0° |
| H13 | C13 | C29 | H29B | 126.3° | 59.9° |
| H13A | C13 | C3 | S4 | 150.5° | 150.0° |
| H13A | C13 | C3 | C1 | 36.4° | 30.0° |
| H13A | C13 | C29 | H29 | 126.4° | 60.0° |
| H13A | C13 | C29 | H29A | 113.6° | 180.0° |
| H13A | C13 | C29 | H29B | 6.4° | 60.0° |
| N1 | C2 | N2 | N3 | 179.4° | 179.7° |
| N1 | C2 | N2 | HN2 | 180.0° | 0.1° |
| N1 | C2 | N2 | HN2A | 0.0° | 180.0° |
| HN1 | N1 | C2 | N2 | 2.2° | 0.0° |
| HN1 | N1 | C2 | N3 | 178.5° | 179.7° |
| C2 | N2 | HN2 | HN2A | 180.0° | 179.9° |
| HN2 | N2 | C2 | N3 | 0.7° | 179.8° |
| HN2A | N2 | C2 | N3 | 179.3° | 0.3° |
| S4 | C3 | C1 | SAT | 177.0° | 180.0° |
| C3 | C1 | SAT | CAZ | 97.2° | 90.0° |
| H29 | C29 | H29A | H29B | 120.0° | 120.0° |
| C1 | SAT | CAZ | CAJ | 17.1° | 0.3° |
| C1 | SAT | CAZ | CAI | 161.9° | 180.0° |
| SAT | CAZ | CAJ | CAI | 179.0° | 179.7° |
| SAT | CAZ | CAJ | CAL | 179.1° | 180.0° |
| SAT | CAZ | CAJ | HAJ | 0.9° | 0.1° |
| SAT | CAZ | CAI | CAK | 179.5° | 180.0° |
| SAT | CAZ | CAI | HAI | 0.5° | 0.1° |
| CAZ | CAJ | CAL | HAJ | 180.0° | 180.0° |
| CAZ | CAJ | CAL | CBA | 0.5° | 0.0° |
| CAZ | CAJ | CAL | HAL | 179.5° | 179.9° |
| CAJ | CAZ | CAI | CAK | 1.5° | 0.3° |
| CAJ | CAZ | CAI | HAI | 178.5° | 179.7° |
| CAI | CAZ | CAJ | CAL | 0.1° | 0.3° |
| CAI | CAZ | CAJ | HAJ | 179.9° | 179.7° |
| CAZ | CAI | CAK | HAI | 180.0° | 180.0° |
| CAZ | CAI | CAK | CBA | 3.2° | 0.0° |
| CAZ | CAI | CAK | HAK | 176.8° | 180.0° |
| CAJ | CAL | CBA | HAL | 180.0° | 180.0° |
| CAJ | CAL | CBA | CAK | 2.4° | 0.2° |
| CAJ | CAL | CBA | CAX | 177.6° | 180.0° |
| HAJ | CAJ | CAL | CBA | 179.5° | 180.0° |
| HAJ | CAJ | CAL | HAL | 0.5° | 0.0° |
| CAL | CBA | CAK | CAI | 3.7° | 0.3° |
| CAL | CBA | CAK | CAX | 180.0° | 179.8° |
| CAL | CBA | CAK | HAK | 176.3° | 179.8° |
| CAL | CBA | CAX | NAS | 8.2° | 180.0° |
| CAL | CBA | CAX | OAE | 169.2° | 0.0° |
| HAL | CAL | CBA | CAK | 177.6° | 179.8° |
| HAL | CAL | CBA | CAX | 2.4° | 0.0° |
| CAI | CAK | CBA | HAK | 180.0° | 180.0° |
| CAI | CAK | CBA | CAX | 176.3° | 180.0° |
| HAI | CAI | CAK | CBA | 176.8° | 180.0° |
| HAI | CAI | CAK | HAK | 3.2° | 0.0° |
| CAK | CBA | CAX | NAS | 171.8° | 0.3° |
| CAK | CBA | CAX | OAE | 10.9° | 179.8° |
| HAK | CAK | CBA | CAX | 3.7° | 0.0° |
| CBA | CAX | NAS | OAE | 177.3° | 180.0° |
| CBA | CAX | NAS | CAP | 177.6° | 180.0° |
| CBA | CAX | NAS | HNAS | 2.4° | 0.0° |
| CAX | NAS | CAP | HNAS | 180.0° | 180.0° |
| CAX | NAS | CAP | CBG | 80.7° | 155.0° |
| CAX | NAS | CAP | CAW | 160.4° | 85.0° |
| CAX | NAS | CAP | HAP | 38.3° | 35.0° |
| OAE | CAX | NAS | CAP | 5.1° | 0.0° |
| OAE | CAX | NAS | HNAS | 174.9° | 179.9° |
| NAS | CAP | CBG | CAW | 117.1° | 120.0° |
| NAS | CAP | CBG | HAP | 120.7° | 120.0° |
| NAS | CAP | CAW | HAP | 120.6° | 120.0° |
| NAS | CAP | CAW | OAD | 9.4° | 0.0° |
| NAS | CAP | CAW | OAG | 167.4° | 179.9° |
| NAS | CAP | CBG | CAN | 61.1° | 65.0° |
| NAS | CAP | CBG | HBG | 178.9° | 55.0° |
| NAS | CAP | CBG | HBGA | 56.8° | 175.0° |
| HNAS | NAS | CAP | CBG | 99.3° | 25.0° |
| HNAS | NAS | CAP | CAW | 19.6° | 94.9° |
| HNAS | NAS | CAP | HAP | 141.7° | 145.0° |
| CBG | CAP | CAW | HAP | 118.9° | 120.0° |
| CBG | CAP | CAW | OAD | 111.0° | 120.0° |
| CBG | CAP | CAW | OAG | 72.2° | 60.1° |
| CAP | CBG | CAN | HBG | 120.0° | 120.0° |
| CAP | CBG | CAN | HBGA | 117.9° | 120.0° |
| CAP | CBG | HBG | HBGA | 118.1° | 120.0° |
| CAP | CBG | CAN | CAV | 166.2° | 180.0° |
| CAP | CBG | CAN | HAN | 46.2° | 60.0° |
| CAP | CBG | CAN | HANA | 75.5° | 60.0° |
| CAP | CAW | OAD | OAG | 176.6° | 179.9° |
| CAP | CAW | OAG | HOAG | 176.7° | 180.0° |
| CAW | CAP | CBG | CAN | 56.0° | 175.1° |
| CAW | CAP | CBG | HBG | 64.0° | 65.0° |
| CAW | CAP | CBG | HBGA | 173.9° | 55.1° |
| HAP | CAP | CAW | OAD | 130.0° | 119.9° |
| HAP | CAP | CAW | OAG | 46.8° | 60.0° |
| HAP | CAP | CBG | CAN | 178.2° | 55.0° |
| HAP | CAP | CBG | HBG | 58.2° | 174.9° |
| HAP | CAP | CBG | HBGA | 63.9° | 65.0° |
| OAD | CAW | OAG | HOAG | 0.0° | 0.1° |
| CAN | CBG | HBG | HBGA | 118.1° | 120.0° |
| CBG | CAN | CAV | HAN | 120.0° | 120.0° |
| CBG | CAN | CAV | HANA | 118.3° | 120.1° |
| CBG | CAN | HAN | HANA | 118.4° | 120.0° |
| CBG | CAN | CAV | OAC | 146.1° | 0.0° |
| CBG | CAN | CAV | OAF | 49.2° | 180.0° |
| HBG | CBG | CAN | CAV | 73.8° | 60.1° |
| HBG | CBG | CAN | HAN | 166.2° | 179.9° |
| HBG | CBG | CAN | HANA | 44.5° | 60.0° |
| HBGA | CBG | CAN | CAV | 48.3° | 60.0° |
| HBGA | CBG | CAN | HAN | 71.7° | 60.0° |
| HBGA | CBG | CAN | HANA | 166.6° | 180.0° |
| CAV | CAN | HAN | HANA | 118.4° | 120.0° |
| CAN | CAV | OAC | OAF | 163.6° | 180.0° |
| CAN | CAV | OAF | HOAF | 162.8° | 180.0° |
| HAN | CAN | CAV | OAC | 93.9° | 120.0° |
| HAN | CAN | CAV | OAF | 70.8° | 60.0° |
| HANA | CAN | CAV | OAC | 27.7° | 120.0° |
| HANA | CAN | CAV | OAF | 167.5° | 60.0° |
| OAC | CAV | OAF | HOAF | 0.0° | 0.0° |
