NHG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CW2 | CW3 | sing | 1.38Å | 1.39Å | Aromatic |
| CW2 | CW1 | doub | 1.39Å | 1.39Å | Aromatic |
| CW3 | CW7 | sing | 1.51Å | 1.53Å | |
| CW3 | CW4 | doub | 1.38Å | 1.39Å | Aromatic |
| CW7 | CK2 | sing | 1.53Å | 1.53Å | |
| CW7 | CW9 | sing | 1.55Å | 1.53Å | |
| CW7 | CW8 | sing | 1.54Å | 1.53Å | |
| CW9 | CK1 | sing | 1.55Å | 1.53Å | |
| CK1 | NW2 | sing | 1.49Å | 1.47Å | |
| NW2 | CW8 | sing | 1.49Å | 1.47Å | |
| CW8 | NW1 | sing | 1.47Å | 1.47Å | |
| NW1 | CW4 | sing | 1.40Å | 1.33Å | |
| CW4 | CW5 | sing | 1.40Å | 1.39Å | Aromatic |
| CW5 | CW6 | doub | 1.38Å | 1.39Å | Aromatic |
| CW6 | CW1 | sing | 1.39Å | 1.39Å | Aromatic |
| CW1 | OW1 | sing | 1.36Å | 1.36Å | |
| CW2 | HW2 | sing | 1.08Å | 1.08Å | |
| CK2 | HK21 | sing | 1.09Å | 1.10Å | |
| CK2 | HK22 | sing | 1.09Å | 1.10Å | |
| CK2 | HK23 | sing | 1.09Å | 1.10Å | |
| CW9 | HW91 | sing | 1.09Å | 1.10Å | |
| CW9 | HW92 | sing | 1.09Å | 1.10Å | |
| CW8 | HW8 | sing | 1.09Å | 1.10Å | |
| CK1 | HK11 | sing | 1.09Å | 1.10Å | |
| CK1 | HK12 | sing | 1.09Å | 1.10Å | |
| NW2 | HA | sing | 1.01Å | 1.00Å | |
| NW1 | HW1 | sing | 0.97Å | 1.00Å | |
| CW5 | HW5 | sing | 1.08Å | 1.08Å | |
| CW6 | HW6 | sing | 1.08Å | 1.08Å | |
| OW1 | HB | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CW3 | CW2 | CW1 | 120.5° | 120.1° |
| CW2 | CW3 | CW7 | 130.8° | 130.9° |
| CW2 | CW3 | CW4 | 120.2° | 120.5° |
| CW3 | CW2 | HW2 | 119.8° | 119.9° |
| CW2 | CW1 | CW6 | 119.6° | 119.7° |
| CW2 | CW1 | OW1 | 120.0° | 120.2° |
| CW1 | CW2 | HW2 | 119.8° | 120.0° |
| CW7 | CW3 | CW4 | 108.8° | 108.6° |
| CW3 | CW7 | CK2 | 112.1° | 112.2° |
| CW3 | CW7 | CW9 | 110.5° | 109.4° |
| CW3 | CW7 | CW8 | 102.7° | 104.5° |
| CW3 | CW4 | NW1 | 110.9° | 111.7° |
| CW3 | CW4 | CW5 | 119.0° | 119.1° |
| CK2 | CW7 | CW9 | 112.4° | 112.2° |
| CK2 | CW7 | CW8 | 114.3° | 112.4° |
| CW7 | CK2 | HK21 | 109.5° | 109.4° |
| CW7 | CK2 | HK22 | 109.5° | 109.5° |
| CW7 | CK2 | HK23 | 109.5° | 109.4° |
| CW9 | CW7 | CW8 | 104.1° | 105.6° |
| CW7 | CW9 | CK1 | 99.4° | 102.9° |
| CW7 | CW9 | HW91 | 113.0° | 110.7° |
| CW7 | CW9 | HW92 | 113.0° | 110.7° |
| CW7 | CW8 | NW2 | 105.4° | 106.3° |
| CW7 | CW8 | NW1 | 104.3° | 104.9° |
| CW7 | CW8 | HW8 | 115.7° | 111.6° |
| CW9 | CK1 | NW2 | 100.5° | 103.2° |
| CK1 | CW9 | HW91 | 113.0° | 110.7° |
| CK1 | CW9 | HW92 | 113.0° | 110.7° |
| CW9 | CK1 | HK11 | 112.6° | 110.7° |
| CW9 | CK1 | HK12 | 112.6° | 110.7° |
| CK1 | NW2 | CW8 | 105.0° | 106.0° |
| NW2 | CK1 | HK11 | 112.6° | 110.6° |
| NW2 | CK1 | HK12 | 112.6° | 110.7° |
| CK1 | NW2 | HA | 111.0° | 111.0° |
| NW2 | CW8 | NW1 | 110.6° | 109.4° |
| NW2 | CW8 | HW8 | 109.8° | 112.0° |
| CW8 | NW2 | HA | 111.0° | 111.3° |
| CW8 | NW1 | CW4 | 112.2° | 110.2° |
| NW1 | CW8 | HW8 | 110.8° | 112.1° |
| CW8 | NW1 | HW1 | 108.6° | 124.9° |
| NW1 | CW4 | CW5 | 130.0° | 129.2° |
| CW4 | NW1 | HW1 | 108.6° | 124.9° |
| CW4 | CW5 | CW6 | 121.0° | 120.3° |
| CW4 | CW5 | HW5 | 119.5° | 119.8° |
| CW5 | CW6 | CW1 | 119.7° | 120.2° |
| CW6 | CW5 | HW5 | 119.5° | 119.8° |
| CW5 | CW6 | HW6 | 120.1° | 119.9° |
| CW6 | CW1 | OW1 | 120.4° | 120.1° |
| CW1 | CW6 | HW6 | 120.1° | 119.9° |
| CW1 | OW1 | HB | 109.5° | 114.0° |
| HK21 | CK2 | HK22 | 109.5° | 109.5° |
| HK21 | CK2 | HK23 | 109.5° | 109.5° |
| HK22 | CK2 | HK23 | 109.5° | 109.5° |
| HW91 | CW9 | HW92 | 105.7° | 110.8° |
| HK11 | CK1 | HK12 | 106.2° | 110.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CW3 | CW2 | CW1 | HW2 | 180.0° | 179.7° |
| CW2 | CW3 | CW7 | CW4 | 175.1° | 179.9° |
| CW2 | CW3 | CW7 | CK2 | 59.6° | 59.0° |
| CW2 | CW3 | CW7 | CW9 | 66.7° | 66.2° |
| CW2 | CW3 | CW7 | CW8 | 177.2° | 178.9° |
| CW2 | CW3 | CW4 | NW1 | 177.7° | 179.8° |
| CW2 | CW3 | CW4 | CW5 | 0.7° | 0.2° |
| CW3 | CW2 | CW1 | CW6 | 0.5° | 0.1° |
| CW3 | CW2 | CW1 | OW1 | 177.5° | 180.0° |
| CW1 | CW2 | CW3 | CW7 | 174.6° | 179.9° |
| CW1 | CW2 | CW3 | CW4 | 0.1° | 0.1° |
| CW2 | CW1 | CW6 | CW5 | 0.5° | 0.2° |
| CW2 | CW1 | CW6 | OW1 | 178.0° | 179.9° |
| CW2 | CW1 | CW6 | HW6 | 179.5° | 179.9° |
| CW2 | CW1 | OW1 | HB | 180.0° | 90.0° |
| CW3 | CW7 | CK2 | CW9 | 125.2° | 123.7° |
| CW3 | CW7 | CK2 | CW8 | 116.4° | 117.5° |
| CW3 | CW7 | CW9 | CW8 | 109.7° | 112.0° |
| CW3 | CW7 | CW9 | CK1 | 74.4° | 134.2° |
| CW3 | CW7 | CW8 | NW2 | 106.6° | 114.3° |
| CW3 | CW7 | CW8 | NW1 | 10.0° | 1.6° |
| CW7 | CW3 | CW4 | NW1 | 2.0° | 0.3° |
| CW7 | CW3 | CW4 | CW5 | 175.0° | 179.8° |
| CW7 | CW3 | CW2 | HW2 | 5.4° | 0.1° |
| CW3 | CW7 | CK2 | HK21 | 180.0° | 59.0° |
| CW3 | CW7 | CK2 | HK22 | 60.0° | 179.0° |
| CW3 | CW7 | CK2 | HK23 | 60.0° | 61.0° |
| CW3 | CW7 | CW9 | HW91 | 45.6° | 15.8° |
| CW3 | CW7 | CW9 | HW92 | 165.6° | 107.5° |
| CW3 | CW7 | CW8 | HW8 | 131.9° | 123.3° |
| CW4 | CW3 | CW7 | CK2 | 115.5° | 120.9° |
| CW4 | CW3 | CW7 | CW9 | 118.2° | 113.8° |
| CW4 | CW3 | CW7 | CW8 | 7.7° | 1.2° |
| CW3 | CW4 | NW1 | CW8 | 5.1° | 0.8° |
| CW3 | CW4 | NW1 | CW5 | 176.7° | 180.0° |
| CW3 | CW4 | CW5 | CW6 | 0.7° | 0.1° |
| CW4 | CW3 | CW2 | HW2 | 179.9° | 179.8° |
| CW3 | CW4 | NW1 | HW1 | 125.1° | 179.3° |
| CW3 | CW4 | CW5 | HW5 | 179.3° | 179.9° |
| CK2 | CW7 | CW9 | CW8 | 124.2° | 122.8° |
| CK2 | CW7 | CW9 | CK1 | 159.5° | 100.6° |
| CK2 | CW7 | CW8 | NW2 | 131.7° | 123.7° |
| CK2 | CW7 | CW8 | NW1 | 111.8° | 120.4° |
| CW7 | CK2 | HK21 | HK22 | 120.0° | 120.0° |
| CW7 | CK2 | HK21 | HK23 | 120.0° | 120.0° |
| CW7 | CK2 | HK22 | HK23 | 120.0° | 120.0° |
| CK2 | CW7 | CW9 | HW91 | 80.5° | 141.1° |
| CK2 | CW7 | CW9 | HW92 | 39.5° | 17.7° |
| CK2 | CW7 | CW8 | HW8 | 10.2° | 1.3° |
| CW7 | CW9 | CK1 | HW91 | 120.0° | 118.4° |
| CW7 | CW9 | CK1 | HW92 | 120.0° | 118.4° |
| CW7 | CW9 | CK1 | NW2 | 49.4° | 37.7° |
| CW9 | CW7 | CW8 | NW2 | 8.7° | 1.1° |
| CW9 | CW7 | CW8 | NW1 | 125.3° | 117.0° |
| CW9 | CW7 | CK2 | HK21 | 54.8° | 177.3° |
| CW9 | CW7 | CK2 | HK22 | 65.2° | 57.4° |
| CW9 | CW7 | CK2 | HK23 | 174.8° | 62.7° |
| CW7 | CW9 | HW91 | HW92 | 124.1° | 123.3° |
| CW9 | CW7 | CW8 | HW8 | 112.8° | 121.4° |
| CW7 | CW9 | CK1 | HK11 | 70.6° | 156.1° |
| CW7 | CW9 | CK1 | HK12 | 169.4° | 80.8° |
| CW8 | CW7 | CW9 | CK1 | 35.3° | 22.2° |
| CW7 | CW8 | NW2 | CK1 | 22.9° | 25.4° |
| CW7 | CW8 | NW2 | NW1 | 112.1° | 112.8° |
| CW7 | CW8 | NW2 | HW8 | 125.2° | 122.2° |
| CW7 | CW8 | NW1 | HW8 | 125.1° | 121.4° |
| CW7 | CW8 | NW1 | CW4 | 9.8° | 1.5° |
| CW8 | CW7 | CK2 | HK21 | 63.6° | 58.5° |
| CW8 | CW7 | CK2 | HK22 | 176.5° | 61.5° |
| CW8 | CW7 | CK2 | HK23 | 56.4° | 178.5° |
| CW8 | CW7 | CW9 | HW91 | 155.3° | 96.2° |
| CW8 | CW7 | CW9 | HW92 | 84.7° | 140.5° |
| CW7 | CW8 | NW2 | HA | 142.9° | 95.4° |
| CW7 | CW8 | NW1 | HW1 | 129.8° | 178.6° |
| CW9 | CK1 | NW2 | HK11 | 120.0° | 118.4° |
| CW9 | CK1 | NW2 | HK12 | 120.0° | 118.5° |
| CW9 | CK1 | NW2 | CW8 | 45.6° | 39.5° |
| CK1 | CW9 | HW91 | HW92 | 124.1° | 123.2° |
| CW9 | CK1 | HK11 | HK12 | 123.6° | 123.1° |
| CW9 | CK1 | NW2 | HA | 165.6° | 81.4° |
| CK1 | NW2 | CW8 | HA | 120.0° | 120.7° |
| CK1 | NW2 | CW8 | NW1 | 89.2° | 138.2° |
| NW2 | CK1 | CW9 | HW91 | 169.4° | 80.6° |
| NW2 | CK1 | CW9 | HW92 | 70.6° | 156.1° |
| CK1 | NW2 | CW8 | HW8 | 148.1° | 96.8° |
| NW2 | CK1 | HK11 | HK12 | 123.7° | 123.1° |
| NW2 | CW8 | NW1 | HW8 | 122.1° | 124.9° |
| NW2 | CW8 | NW1 | CW4 | 103.0° | 112.2° |
| CW8 | NW2 | CK1 | HK11 | 74.4° | 157.9° |
| CW8 | NW2 | CK1 | HK12 | 165.6° | 79.0° |
| NW2 | CW8 | NW1 | HW1 | 16.9° | 67.7° |
| CW8 | NW1 | CW4 | HW1 | 120.0° | 179.9° |
| CW8 | NW1 | CW4 | CW5 | 178.3° | 179.1° |
| NW1 | CW8 | NW2 | HA | 30.8° | 17.4° |
| NW1 | CW4 | CW5 | CW6 | 177.1° | 179.9° |
| CW4 | NW1 | CW8 | HW8 | 134.9° | 122.9° |
| NW1 | CW4 | CW5 | HW5 | 2.9° | 0.2° |
| CW4 | CW5 | CW6 | HW5 | 180.0° | 180.0° |
| CW4 | CW5 | CW6 | CW1 | 0.1° | 0.1° |
| CW5 | CW4 | NW1 | HW1 | 58.3° | 0.8° |
| CW4 | CW5 | CW6 | HW6 | 179.9° | 180.0° |
| CW5 | CW6 | CW1 | HW6 | 180.0° | 179.9° |
| CW5 | CW6 | CW1 | OW1 | 177.5° | 179.9° |
| CW6 | CW1 | CW2 | HW2 | 179.5° | 179.6° |
| CW1 | CW6 | CW5 | HW5 | 179.9° | 180.0° |
| CW6 | CW1 | OW1 | HB | 2.0° | 90.1° |
| OW1 | CW1 | CW2 | HW2 | 2.6° | 0.3° |
| OW1 | CW1 | CW6 | HW6 | 2.5° | 0.0° |
| HK21 | CK2 | HK22 | HK23 | 120.0° | 120.1° |
| HW91 | CW9 | CK1 | HK11 | 49.4° | 37.8° |
| HW91 | CW9 | CK1 | HK12 | 70.6° | 160.9° |
| HW92 | CW9 | CK1 | HK11 | 169.4° | 85.5° |
| HW92 | CW9 | CK1 | HK12 | 49.4° | 37.6° |
| HW8 | CW8 | NW2 | HA | 91.9° | 142.4° |
| HW8 | CW8 | NW1 | HW1 | 105.1° | 57.2° |
| HK11 | CK1 | NW2 | HA | 45.6° | 37.0° |
| HK12 | CK1 | NW2 | HA | 74.4° | 160.1° |
| HW5 | CW5 | CW6 | HW6 | 0.1° | 0.1° |
