GHW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N3 | C4 | sing | 1.35Å | 1.39Å | |
| C4 | C5 | doub | 1.39Å | 1.37Å | Aromatic |
| C4 | S4 | sing | 1.76Å | 1.73Å | Aromatic |
| C6 | C5 | sing | 1.43Å | 1.43Å | |
| C5 | C1 | sing | 1.45Å | 1.44Å | Aromatic |
| N1 | C6 | sing | 1.35Å | 1.39Å | |
| C6 | O6 | doub | 1.22Å | 1.24Å | |
| C3 | C13 | sing | 1.51Å | 1.58Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C13 | H13B | sing | 1.09Å | 1.10Å | |
| C2 | N1 | sing | 1.36Å | 1.36Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| N2 | C2 | sing | 1.37Å | 1.38Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| N2 | HN2A | sing | 0.97Å | 1.00Å | |
| S4 | C3 | sing | 1.75Å | 1.69Å | Aromatic |
| C1 | C3 | doub | 1.33Å | 1.40Å | Aromatic |
| C2 | N3 | doub | 1.31Å | 1.30Å | |
| C1 | SAT | sing | 1.76Å | 1.77Å | |
| CAZ | SAT | sing | 1.76Å | 1.81Å | |
| CAI | CAZ | doub | 1.39Å | 1.34Å | Aromatic |
| CAZ | CAJ | sing | 1.39Å | 1.39Å | Aromatic |
| CAL | CAJ | doub | 1.37Å | 1.42Å | Aromatic |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CBA | CAL | sing | 1.40Å | 1.37Å | Aromatic |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CAK | CAI | sing | 1.37Å | 1.36Å | Aromatic |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAK | CBA | doub | 1.40Å | 1.40Å | Aromatic |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAX | CBA | sing | 1.47Å | 1.48Å | |
| NAS | CAX | sing | 1.35Å | 1.34Å | |
| CAX | OAE | doub | 1.22Å | 1.26Å | |
| CAP | NAS | sing | 1.46Å | 1.48Å | |
| NAS | HNAS | sing | 0.97Å | 1.00Å | |
| CBG | CAP | sing | 1.53Å | 1.58Å | |
| CAW | CAP | sing | 1.51Å | 1.56Å | |
| CAP | HAP | sing | 1.09Å | 1.10Å | |
| OAG | CAW | doub | 1.21Å | 1.28Å | |
| CAW | OAD | sing | 1.34Å | 1.28Å | |
| OAD | HOAD | 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 | 1.52Å | |
| CAN | HAN | sing | 1.09Å | 1.10Å | |
| CAN | HANA | sing | 1.09Å | 1.10Å | |
| OAC | CAV | doub | 1.21Å | 1.25Å | |
| CAV | OXT | sing | 1.34Å | 1.25Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N3 | C4 | C5 | 125.3° | 119.6° |
| N3 | C4 | S4 | 123.2° | 130.7° |
| C4 | N3 | C2 | 114.5° | 121.6° |
| C5 | C4 | S4 | 111.2° | 109.7° |
| C4 | C5 | C6 | 118.3° | 118.0° |
| C4 | C5 | C1 | 113.0° | 112.1° |
| C4 | S4 | C3 | 92.4° | 92.3° |
| C6 | C5 | C1 | 128.6° | 129.9° |
| C5 | C6 | N1 | 113.4° | 118.9° |
| C5 | C6 | O6 | 127.5° | 120.6° |
| C5 | C1 | C3 | 110.5° | 114.7° |
| C5 | C1 | SAT | 128.4° | 122.7° |
| N1 | C6 | O6 | 118.8° | 120.5° |
| C6 | N1 | C2 | 123.7° | 120.3° |
| C6 | N1 | HN1 | 118.1° | 119.9° |
| C3 | C13 | H13 | 109.5° | 109.5° |
| C3 | C13 | H13A | 109.5° | 109.5° |
| C3 | C13 | H13B | 109.5° | 109.5° |
| C13 | C3 | S4 | 122.1° | 124.4° |
| C13 | C3 | C1 | 124.7° | 124.4° |
| H13 | C13 | H13A | 109.4° | 109.5° |
| H13 | C13 | H13B | 109.5° | 109.4° |
| H13A | C13 | H13B | 109.5° | 109.5° |
| C2 | N1 | HN1 | 118.1° | 119.8° |
| N1 | C2 | N2 | 118.7° | 119.2° |
| N1 | C2 | N3 | 124.2° | 121.6° |
| C2 | N2 | HN2 | 109.3° | 120.0° |
| C2 | N2 | HN2A | 125.4° | 120.1° |
| N2 | C2 | N3 | 117.2° | 119.2° |
| HN2 | N2 | HN2A | 125.3° | 119.9° |
| S4 | C3 | C1 | 112.9° | 111.2° |
| C3 | C1 | SAT | 121.2° | 122.6° |
| C1 | SAT | CAZ | 103.1° | 103.0° |
| SAT | CAZ | CAI | 121.7° | 119.9° |
| SAT | CAZ | CAJ | 115.4° | 120.0° |
| CAI | CAZ | CAJ | 122.7° | 120.1° |
| CAZ | CAI | CAK | 119.3° | 120.1° |
| CAZ | CAI | HAI | 120.4° | 119.9° |
| CAZ | CAJ | CAL | 117.9° | 120.1° |
| CAZ | CAJ | HAJ | 121.1° | 119.9° |
| CAL | CAJ | HAJ | 121.0° | 120.0° |
| CAJ | CAL | CBA | 119.0° | 119.9° |
| CAJ | CAL | HAL | 120.5° | 120.0° |
| CBA | CAL | HAL | 120.5° | 120.1° |
| CAL | CBA | CAK | 120.2° | 119.8° |
| CAL | CBA | CAX | 121.5° | 120.1° |
| CAK | CAI | HAI | 120.4° | 120.0° |
| CAI | CAK | CBA | 120.8° | 120.0° |
| CAI | CAK | HAK | 119.6° | 120.0° |
| CBA | CAK | HAK | 119.6° | 120.0° |
| CAK | CBA | CAX | 118.3° | 120.1° |
| CBA | CAX | NAS | 119.3° | 120.0° |
| CBA | CAX | OAE | 117.9° | 120.0° |
| NAS | CAX | OAE | 122.8° | 120.0° |
| CAX | NAS | CAP | 122.5° | 120.0° |
| CAX | NAS | HNAS | 118.7° | 120.0° |
| CAP | NAS | HNAS | 118.8° | 120.0° |
| NAS | CAP | CBG | 111.9° | 109.5° |
| NAS | CAP | CAW | 105.5° | 109.5° |
| NAS | CAP | HAP | 110.3° | 109.5° |
| CBG | CAP | CAW | 108.8° | 109.5° |
| CBG | CAP | HAP | 107.1° | 109.5° |
| CAP | CBG | CAN | 111.2° | 109.5° |
| CAP | CBG | HBG | 108.9° | 109.4° |
| CAP | CBG | HBGA | 108.5° | 109.4° |
| CAW | CAP | HAP | 113.3° | 109.4° |
| CAP | CAW | OAG | 120.8° | 120.0° |
| CAP | CAW | OAD | 114.0° | 120.0° |
| OAG | CAW | OAD | 124.9° | 120.0° |
| CAW | OAD | HOAD | 109.5° | 117.0° |
| CAN | CBG | HBG | 108.9° | 109.5° |
| CAN | CBG | HBGA | 108.6° | 109.5° |
| CBG | CAN | CAV | 113.1° | 109.4° |
| CBG | CAN | HAN | 108.3° | 109.5° |
| CBG | CAN | HANA | 107.4° | 109.5° |
| HBG | CBG | HBGA | 110.8° | 109.5° |
| CAV | CAN | HAN | 108.3° | 109.5° |
| CAV | CAN | HANA | 107.5° | 109.4° |
| CAN | CAV | OAC | 117.7° | 120.0° |
| CAN | CAV | OXT | 116.8° | 120.0° |
| HAN | CAN | HANA | 112.4° | 109.5° |
| OAC | CAV | OXT | 124.2° | 120.0° |
| CAV | OXT | HXT | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N3 | C4 | C5 | S4 | 174.3° | 179.8° |
| N3 | C4 | C5 | C6 | 6.9° | 0.2° |
| N3 | C4 | C5 | C1 | 176.7° | 179.8° |
| C4 | N3 | C2 | N1 | 0.0° | 0.4° |
| C4 | N3 | C2 | N2 | 179.1° | 179.8° |
| N3 | C4 | S4 | C3 | 175.4° | 179.7° |
| C4 | C5 | C6 | C1 | 175.8° | 179.9° |
| C4 | C5 | C6 | N1 | 8.9° | 0.0° |
| C4 | C5 | C6 | O6 | 177.1° | 180.0° |
| C5 | C4 | S4 | C3 | 1.0° | 0.0° |
| C4 | C5 | C1 | C3 | 3.0° | 0.0° |
| C5 | C4 | N3 | C2 | 2.1° | 0.4° |
| C4 | C5 | C1 | SAT | 177.0° | 180.0° |
| S4 | C4 | C5 | C6 | 178.8° | 180.0° |
| S4 | C4 | C5 | C1 | 2.4° | 0.0° |
| C4 | S4 | C3 | C13 | 173.5° | 180.0° |
| C4 | S4 | C3 | C1 | 0.8° | 0.0° |
| S4 | C4 | N3 | C2 | 175.8° | 179.9° |
| C5 | C6 | N1 | O6 | 174.6° | 179.9° |
| C5 | C6 | N1 | C2 | 7.5° | 0.0° |
| C5 | C6 | N1 | HN1 | 172.5° | 180.0° |
| C6 | C5 | C1 | C3 | 178.9° | 180.0° |
| C6 | C5 | C1 | SAT | 1.1° | 0.1° |
| C1 | C5 | C6 | N1 | 175.4° | 179.9° |
| C1 | C5 | C6 | O6 | 1.3° | 0.0° |
| C5 | C1 | C3 | C13 | 171.9° | 180.0° |
| C5 | C1 | C3 | S4 | 2.2° | 0.0° |
| C5 | C1 | C3 | SAT | 180.0° | 179.9° |
| C5 | C1 | SAT | CAZ | 87.4° | 90.0° |
| C6 | N1 | C2 | HN1 | 180.0° | 180.0° |
| C6 | N1 | C2 | N2 | 176.0° | 180.0° |
| C6 | N1 | C2 | N3 | 3.2° | 0.2° |
| O6 | C6 | N1 | C2 | 177.9° | 180.0° |
| O6 | C6 | N1 | HN1 | 2.1° | 0.1° |
| C3 | C13 | H13 | H13A | 120.0° | 120.0° |
| C3 | C13 | H13 | H13B | 120.0° | 120.0° |
| C3 | C13 | H13A | H13B | 120.0° | 120.0° |
| C13 | C3 | S4 | C1 | 174.3° | 180.0° |
| C13 | C3 | C1 | SAT | 8.1° | 0.0° |
| H13 | C13 | H13A | H13B | 120.0° | 120.0° |
| H13 | C13 | C3 | S4 | 61.5° | 0.0° |
| H13 | C13 | C3 | C1 | 112.1° | 180.0° |
| H13A | C13 | C3 | S4 | 58.5° | 120.0° |
| H13A | C13 | C3 | C1 | 127.9° | 60.0° |
| H13B | C13 | C3 | S4 | 178.5° | 120.0° |
| H13B | C13 | C3 | C1 | 7.9° | 60.0° |
| N1 | C2 | N2 | N3 | 179.2° | 179.8° |
| N1 | C2 | N2 | HN2 | 180.0° | 0.0° |
| N1 | C2 | N2 | HN2A | 0.0° | 180.0° |
| HN1 | N1 | C2 | N2 | 4.1° | 0.0° |
| HN1 | N1 | C2 | N3 | 176.8° | 179.8° |
| C2 | N2 | HN2 | HN2A | 180.0° | 180.0° |
| HN2 | N2 | C2 | N3 | 0.8° | 179.8° |
| HN2A | N2 | C2 | N3 | 179.2° | 0.2° |
| S4 | C3 | C1 | SAT | 177.8° | 180.0° |
| C3 | C1 | SAT | CAZ | 92.6° | 90.1° |
| C1 | SAT | CAZ | CAI | 14.6° | 0.2° |
| C1 | SAT | CAZ | CAJ | 169.9° | 180.0° |
| SAT | CAZ | CAI | CAJ | 175.2° | 179.8° |
| SAT | CAZ | CAJ | CAL | 177.4° | 180.0° |
| SAT | CAZ | CAJ | HAJ | 2.6° | 0.1° |
| SAT | CAZ | CAI | CAK | 177.7° | 180.0° |
| SAT | CAZ | CAI | HAI | 2.3° | 0.0° |
| CAI | CAZ | CAJ | CAL | 1.9° | 0.2° |
| CAI | CAZ | CAJ | HAJ | 178.1° | 179.7° |
| CAZ | CAI | CAK | HAI | 180.0° | 180.0° |
| CAZ | CAI | CAK | CBA | 0.3° | 0.0° |
| CAZ | CAI | CAK | HAK | 179.7° | 179.9° |
| CAZ | CAJ | CAL | HAJ | 180.0° | 179.9° |
| CAZ | CAJ | CAL | CBA | 0.9° | 0.1° |
| CAZ | CAJ | CAL | HAL | 179.1° | 180.0° |
| CAJ | CAZ | CAI | CAK | 2.5° | 0.3° |
| CAJ | CAZ | CAI | HAI | 177.5° | 179.8° |
| CAJ | CAL | CBA | HAL | 180.0° | 179.9° |
| CAJ | CAL | CBA | CAK | 2.9° | 0.3° |
| CAJ | CAL | CBA | CAX | 178.8° | 180.0° |
| HAJ | CAJ | CAL | CBA | 179.1° | 180.0° |
| HAJ | CAJ | CAL | HAL | 0.9° | 0.1° |
| CAL | CBA | CAK | CAI | 2.4° | 0.2° |
| CAL | CBA | CAK | CAX | 178.4° | 179.7° |
| CAL | CBA | CAK | HAK | 177.5° | 179.7° |
| CAL | CBA | CAX | NAS | 175.6° | 0.3° |
| CAL | CBA | CAX | OAE | 4.0° | 179.7° |
| HAL | CAL | CBA | CAK | 177.1° | 179.8° |
| HAL | CAL | CBA | CAX | 1.2° | 0.1° |
| CAI | CAK | CBA | HAK | 180.0° | 179.9° |
| CAI | CAK | CBA | CAX | 179.2° | 180.0° |
| HAI | CAI | CAK | CBA | 179.7° | 180.0° |
| HAI | CAI | CAK | HAK | 0.3° | 0.1° |
| CAK | CBA | CAX | NAS | 6.1° | 180.0° |
| CAK | CBA | CAX | OAE | 174.4° | 0.0° |
| HAK | CAK | CBA | CAX | 0.8° | 0.0° |
| CBA | CAX | NAS | OAE | 179.6° | 180.0° |
| CBA | CAX | NAS | CAP | 177.2° | 180.0° |
| CBA | CAX | NAS | HNAS | 2.8° | 0.1° |
| CAX | NAS | CAP | HNAS | 180.0° | 179.9° |
| CAX | NAS | CAP | CBG | 77.6° | 155.0° |
| CAX | NAS | CAP | CAW | 164.3° | 85.0° |
| CAX | NAS | CAP | HAP | 41.5° | 35.0° |
| OAE | CAX | NAS | CAP | 2.3° | 0.0° |
| OAE | CAX | NAS | HNAS | 177.6° | 179.9° |
| NAS | CAP | CBG | CAW | 116.1° | 120.0° |
| NAS | CAP | CBG | HAP | 121.0° | 120.0° |
| NAS | CAP | CAW | HAP | 120.8° | 120.0° |
| NAS | CAP | CAW | OAG | 3.4° | 0.0° |
| NAS | CAP | CAW | OAD | 170.9° | 179.9° |
| NAS | CAP | CBG | CAN | 59.6° | 65.0° |
| NAS | CAP | CBG | HBG | 179.6° | 55.0° |
| NAS | CAP | CBG | HBGA | 59.7° | 175.0° |
| HNAS | NAS | CAP | CBG | 102.3° | 25.1° |
| HNAS | NAS | CAP | CAW | 15.8° | 94.9° |
| HNAS | NAS | CAP | HAP | 138.5° | 145.1° |
| CBG | CAP | CAW | HAP | 119.0° | 120.0° |
| CBG | CAP | CAW | OAG | 116.8° | 120.0° |
| CBG | CAP | CAW | OAD | 69.0° | 60.0° |
| CAP | CBG | CAN | HBG | 120.0° | 120.0° |
| CAP | CBG | CAN | HBGA | 119.3° | 120.0° |
| CAP | CBG | HBG | HBGA | 119.3° | 120.0° |
| CAP | CBG | CAN | CAV | 173.8° | 180.0° |
| CAP | CBG | CAN | HAN | 53.8° | 60.0° |
| CAP | CBG | CAN | HANA | 67.7° | 60.0° |
| CAP | CAW | OAG | OAD | 173.6° | 179.9° |
| CAP | CAW | OAD | HOAD | 174.0° | 180.0° |
| CAW | CAP | CBG | CAN | 56.5° | 175.0° |
| CAW | CAP | CBG | HBG | 63.5° | 65.0° |
| CAW | CAP | CBG | HBGA | 175.8° | 55.0° |
| HAP | CAP | CAW | OAG | 124.2° | 120.0° |
| HAP | CAP | CAW | OAD | 50.1° | 60.0° |
| HAP | CAP | CBG | CAN | 179.4° | 55.0° |
| HAP | CAP | CBG | HBG | 59.4° | 175.0° |
| HAP | CAP | CBG | HBGA | 61.3° | 65.0° |
| OAG | CAW | OAD | HOAD | 0.0° | 0.1° |
| CAN | CBG | HBG | HBGA | 119.3° | 120.1° |
| CBG | CAN | CAV | HAN | 120.0° | 120.0° |
| CBG | CAN | CAV | HANA | 118.4° | 119.9° |
| CBG | CAN | HAN | HANA | 118.5° | 120.0° |
| CBG | CAN | CAV | OAC | 175.5° | 0.0° |
| CBG | CAN | CAV | OXT | 17.1° | 180.0° |
| HBG | CBG | CAN | CAV | 66.2° | 60.0° |
| HBG | CBG | CAN | HAN | 173.8° | 180.0° |
| HBG | CBG | CAN | HANA | 52.3° | 59.9° |
| HBGA | CBG | CAN | CAV | 54.6° | 60.0° |
| HBGA | CBG | CAN | HAN | 65.4° | 60.0° |
| HBGA | CBG | CAN | HANA | 173.0° | 180.0° |
| CAV | CAN | HAN | HANA | 118.5° | 120.0° |
| CAN | CAV | OAC | OXT | 166.3° | 180.0° |
| CAN | CAV | OXT | HXT | 166.5° | 180.0° |
| HAN | CAN | CAV | OAC | 64.5° | 120.0° |
| HAN | CAN | CAV | OXT | 102.9° | 60.0° |
| HANA | CAN | CAV | OAC | 57.1° | 120.0° |
| HANA | CAN | CAV | OXT | 135.5° | 60.0° |
| OAC | CAV | OXT | HXT | 0.0° | 0.0° |
