9H3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C26 | C01 | sing | 1.53Å | 1.55Å | |
| C26 | C25 | sing | 1.53Å | 1.53Å | |
| C01 | C02 | sing | 1.50Å | 1.50Å | |
| C25 | C24 | sing | 1.53Å | 1.54Å | |
| O04 | C03 | doub | 1.22Å | 1.23Å | |
| C02 | C03 | sing | 1.41Å | 1.47Å | |
| C02 | C23 | doub | 1.36Å | 1.37Å | |
| C03 | N05 | sing | 1.35Å | 1.42Å | |
| C24 | C23 | sing | 1.51Å | 1.53Å | |
| C23 | N22 | sing | 1.34Å | 1.39Å | |
| N05 | C06 | sing | 1.36Å | 1.39Å | |
| N22 | C06 | doub | 1.31Å | 1.35Å | |
| C06 | N07 | sing | 1.37Å | 1.40Å | |
| N07 | C21 | sing | 1.47Å | 1.49Å | |
| N07 | C08 | sing | 1.47Å | 1.49Å | |
| C21 | C20 | sing | 1.53Å | 1.50Å | |
| C08 | C09 | sing | 1.53Å | 1.53Å | |
| C20 | C10 | sing | 1.52Å | 1.48Å | |
| C09 | C10 | sing | 1.53Å | 1.52Å | |
| O19 | C18 | doub | 1.21Å | 1.21Å | |
| C10 | C18 | sing | 1.51Å | 1.53Å | |
| C10 | C11 | sing | 1.51Å | 1.47Å | |
| C18 | O17 | sing | 1.34Å | 1.38Å | |
| C11 | C12 | sing | 1.38Å | 1.37Å | Aromatic |
| C11 | C16 | doub | 1.39Å | 1.40Å | Aromatic |
| O17 | C16 | sing | 1.36Å | 1.40Å | |
| C12 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| C16 | C15 | sing | 1.39Å | 1.37Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| C12 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C14 | H3 | sing | 1.08Å | 1.08Å | |
| C15 | H4 | sing | 1.08Å | 1.08Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C08 | H7 | sing | 1.09Å | 1.10Å | |
| C09 | H8 | sing | 1.09Å | 1.10Å | |
| C20 | H9 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| C21 | H11 | sing | 1.09Å | 1.10Å | |
| C21 | H12 | sing | 1.09Å | 1.10Å | |
| C24 | H13 | sing | 1.09Å | 1.10Å | |
| C24 | H14 | sing | 1.09Å | 1.10Å | |
| C25 | H15 | sing | 1.09Å | 1.10Å | |
| C25 | H16 | sing | 1.09Å | 1.10Å | |
| C26 | H17 | sing | 1.09Å | 1.10Å | |
| C26 | H18 | sing | 1.09Å | 1.10Å | |
| N05 | H19 | sing | 0.97Å | 1.00Å | |
| C08 | H20 | sing | 1.09Å | 1.10Å | |
| C09 | H21 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C26 | C25 | 109.8° | 108.3° |
| C26 | C01 | C02 | 111.9° | 110.6° |
| C26 | C01 | H5 | 108.9° | 109.2° |
| C26 | C01 | H6 | 108.9° | 109.2° |
| C01 | C26 | H17 | 109.4° | 109.7° |
| C01 | C26 | H18 | 109.4° | 109.6° |
| C26 | C25 | C24 | 107.9° | 108.4° |
| C26 | C25 | H15 | 109.9° | 109.7° |
| C26 | C25 | H16 | 109.9° | 109.7° |
| C25 | C26 | H17 | 109.4° | 109.7° |
| C25 | C26 | H18 | 109.4° | 109.7° |
| C01 | C02 | C03 | 118.7° | 118.1° |
| C01 | C02 | C23 | 124.1° | 123.0° |
| C02 | C01 | H5 | 108.9° | 109.3° |
| C02 | C01 | H6 | 108.9° | 109.3° |
| C25 | C24 | C23 | 113.7° | 110.6° |
| C25 | C24 | H13 | 108.4° | 109.3° |
| C25 | C24 | H14 | 108.4° | 109.2° |
| C24 | C25 | H15 | 109.8° | 109.7° |
| C24 | C25 | H16 | 109.9° | 109.6° |
| O04 | C03 | C02 | 127.4° | 120.4° |
| O04 | C03 | N05 | 116.5° | 120.5° |
| C03 | C02 | C23 | 117.2° | 118.9° |
| C02 | C03 | N05 | 116.1° | 119.1° |
| C02 | C23 | C24 | 120.0° | 122.6° |
| C02 | C23 | N22 | 125.0° | 119.6° |
| C03 | N05 | C06 | 122.3° | 119.5° |
| C03 | N05 | H19 | 118.9° | 120.2° |
| C24 | C23 | N22 | 115.0° | 117.8° |
| C23 | C24 | H13 | 108.4° | 109.2° |
| C23 | C24 | H14 | 108.4° | 109.3° |
| C23 | N22 | C06 | 118.7° | 121.9° |
| N05 | C06 | N22 | 120.8° | 121.0° |
| N05 | C06 | N07 | 121.5° | 119.5° |
| C06 | N05 | H19 | 118.9° | 120.3° |
| N22 | C06 | N07 | 117.8° | 119.5° |
| C06 | N07 | C21 | 124.1° | 120.6° |
| C06 | N07 | C08 | 117.1° | 120.5° |
| C21 | N07 | C08 | 118.8° | 118.9° |
| N07 | C21 | C20 | 115.0° | 108.7° |
| N07 | C21 | H11 | 108.1° | 109.6° |
| N07 | C21 | H12 | 108.1° | 109.8° |
| N07 | C08 | C09 | 117.6° | 108.7° |
| N07 | C08 | H7 | 107.4° | 109.7° |
| N07 | C08 | H20 | 107.4° | 109.7° |
| C21 | C20 | C10 | 114.8° | 109.4° |
| C21 | C20 | H9 | 108.1° | 109.5° |
| C21 | C20 | H10 | 108.1° | 109.5° |
| C20 | C21 | H11 | 108.1° | 109.6° |
| C20 | C21 | H12 | 108.1° | 109.6° |
| C08 | C09 | C10 | 120.7° | 109.3° |
| C09 | C08 | H7 | 107.4° | 109.6° |
| C08 | C09 | H8 | 106.6° | 109.5° |
| C09 | C08 | H20 | 107.4° | 109.6° |
| C08 | C09 | H21 | 106.6° | 109.5° |
| C20 | C10 | C09 | 110.8° | 110.8° |
| C20 | C10 | C18 | 112.0° | 110.4° |
| C20 | C10 | C11 | 117.7° | 110.7° |
| C10 | C20 | H9 | 108.1° | 109.5° |
| C10 | C20 | H10 | 108.1° | 109.5° |
| C09 | C10 | C18 | 102.3° | 110.4° |
| C09 | C10 | C11 | 112.1° | 110.5° |
| C10 | C09 | H8 | 106.6° | 109.4° |
| C10 | C09 | H21 | 106.6° | 109.5° |
| O19 | C18 | C10 | 131.0° | 126.7° |
| O19 | C18 | O17 | 116.5° | 126.7° |
| C18 | C10 | C11 | 100.5° | 103.7° |
| C10 | C18 | O17 | 112.5° | 106.6° |
| C10 | C11 | C12 | 133.2° | 133.3° |
| C10 | C11 | C16 | 109.2° | 105.8° |
| C18 | O17 | C16 | 105.6° | 113.1° |
| C12 | C11 | C16 | 117.6° | 120.9° |
| C11 | C12 | C13 | 119.8° | 120.0° |
| C11 | C12 | H1 | 120.1° | 120.0° |
| C11 | C16 | O17 | 112.3° | 110.8° |
| C11 | C16 | C15 | 125.2° | 118.8° |
| O17 | C16 | C15 | 122.5° | 130.5° |
| C12 | C13 | C14 | 120.5° | 119.7° |
| C13 | C12 | H1 | 120.1° | 120.0° |
| C12 | C13 | H2 | 119.7° | 120.2° |
| C16 | C15 | C14 | 115.6° | 120.2° |
| C16 | C15 | H4 | 122.2° | 119.8° |
| C13 | C14 | C15 | 121.3° | 120.4° |
| C14 | C13 | H2 | 119.8° | 120.1° |
| C13 | C14 | H3 | 119.3° | 119.8° |
| C15 | C14 | H3 | 119.3° | 119.8° |
| C14 | C15 | H4 | 122.2° | 119.9° |
| H5 | C01 | H6 | 109.5° | 109.2° |
| H7 | C08 | H20 | 109.5° | 109.6° |
| H8 | C09 | H21 | 109.5° | 109.6° |
| H9 | C20 | H10 | 109.5° | 109.5° |
| H11 | C21 | H12 | 109.5° | 109.6° |
| H13 | C24 | H14 | 109.4° | 109.2° |
| H15 | C25 | H16 | 109.5° | 109.7° |
| H17 | C26 | H18 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C26 | C25 | H17 | 120.0° | 119.7° |
| C01 | C26 | C25 | H18 | 120.1° | 119.6° |
| C26 | C01 | C02 | H5 | 120.4° | 120.3° |
| C26 | C01 | C02 | H6 | 120.3° | 120.3° |
| C01 | C26 | C25 | C24 | 65.3° | 69.2° |
| C26 | C01 | C02 | C03 | 165.0° | 162.4° |
| C26 | C01 | C02 | C23 | 14.6° | 17.7° |
| C26 | C01 | H5 | H6 | 118.9° | 119.4° |
| C01 | C26 | C25 | H15 | 54.4° | 171.1° |
| C01 | C26 | C25 | H16 | 175.0° | 50.5° |
| C01 | C26 | H17 | H18 | 119.9° | 120.5° |
| C25 | C26 | C01 | C02 | 48.0° | 50.6° |
| C26 | C25 | C24 | H15 | 119.8° | 119.7° |
| C26 | C25 | C24 | H16 | 119.7° | 119.7° |
| C26 | C25 | C24 | C23 | 49.1° | 51.0° |
| C25 | C26 | C01 | H5 | 168.4° | 69.7° |
| C25 | C26 | C01 | H6 | 72.3° | 170.9° |
| C26 | C25 | C24 | H13 | 169.7° | 69.3° |
| C26 | C25 | C24 | H14 | 71.6° | 171.3° |
| C26 | C25 | H15 | H16 | 120.7° | 120.6° |
| C25 | C26 | H17 | H18 | 119.8° | 120.6° |
| C01 | C02 | C03 | O04 | 1.1° | 0.5° |
| C01 | C02 | C03 | C23 | 179.6° | 179.9° |
| C01 | C02 | C03 | N05 | 179.8° | 179.5° |
| C01 | C02 | C23 | C24 | 1.3° | 1.0° |
| C01 | C02 | C23 | N22 | 180.0° | 179.4° |
| C02 | C01 | H5 | H6 | 118.9° | 119.5° |
| C02 | C01 | C26 | H17 | 168.1° | 170.3° |
| C02 | C01 | C26 | H18 | 72.0° | 69.1° |
| C25 | C24 | C23 | C02 | 16.5° | 18.0° |
| C25 | C24 | C23 | H13 | 120.6° | 120.3° |
| C25 | C24 | C23 | H14 | 120.6° | 120.3° |
| C25 | C24 | C23 | N22 | 162.3° | 162.4° |
| C25 | C24 | H13 | H14 | 118.1° | 119.4° |
| C24 | C25 | H15 | H16 | 120.7° | 120.5° |
| C24 | C25 | C26 | H17 | 174.7° | 171.1° |
| C24 | C25 | C26 | H18 | 54.8° | 50.5° |
| O04 | C03 | C02 | N05 | 179.1° | 180.0° |
| O04 | C03 | C02 | C23 | 179.2° | 179.6° |
| O04 | C03 | N05 | C06 | 179.3° | 179.9° |
| O04 | C03 | N05 | H19 | 0.7° | 0.0° |
| C03 | C02 | C23 | C24 | 179.1° | 179.1° |
| C03 | C02 | C23 | N22 | 0.4° | 0.5° |
| C02 | C03 | N05 | C06 | 0.1° | 0.1° |
| C03 | C02 | C01 | H5 | 44.7° | 77.4° |
| C03 | C02 | C01 | H6 | 74.6° | 42.1° |
| C02 | C03 | N05 | H19 | 179.9° | 180.0° |
| C23 | C02 | C03 | N05 | 0.2° | 0.4° |
| C02 | C23 | C24 | N22 | 178.8° | 179.6° |
| C02 | C23 | N22 | C06 | 0.5° | 0.2° |
| C23 | C02 | C01 | H5 | 135.0° | 102.5° |
| C23 | C02 | C01 | H6 | 105.8° | 138.0° |
| C02 | C23 | C24 | H13 | 137.2° | 102.3° |
| C02 | C23 | C24 | H14 | 104.1° | 138.3° |
| C03 | N05 | C06 | H19 | 180.0° | 179.9° |
| C03 | N05 | C06 | N22 | 0.2° | 0.2° |
| C03 | N05 | C06 | N07 | 179.7° | 179.8° |
| C24 | C23 | N22 | C06 | 179.2° | 179.4° |
| C23 | C24 | H13 | H14 | 118.0° | 119.4° |
| C23 | C24 | C25 | H15 | 70.7° | 170.7° |
| C23 | C24 | C25 | H16 | 168.8° | 68.8° |
| C23 | N22 | C06 | N05 | 0.4° | 0.2° |
| C23 | N22 | C06 | N07 | 179.6° | 179.9° |
| N22 | C23 | C24 | H13 | 41.6° | 77.3° |
| N22 | C23 | C24 | H14 | 77.1° | 42.1° |
| N05 | C06 | N22 | N07 | 180.0° | 179.9° |
| N05 | C06 | N07 | C21 | 0.0° | 5.5° |
| N05 | C06 | N07 | C08 | 179.4° | 174.4° |
| N22 | C06 | N07 | C21 | 180.0° | 174.4° |
| N22 | C06 | N07 | C08 | 0.7° | 5.7° |
| N22 | C06 | N05 | H19 | 179.8° | 179.7° |
| C06 | N07 | C21 | C08 | 179.3° | 179.9° |
| C06 | N07 | C21 | C20 | 160.1° | 125.9° |
| C06 | N07 | C08 | C09 | 174.4° | 125.9° |
| C06 | N07 | C08 | H7 | 53.2° | 6.2° |
| C06 | N07 | C21 | H11 | 39.3° | 114.3° |
| C06 | N07 | C21 | H12 | 79.0° | 6.1° |
| N07 | C06 | N05 | H19 | 0.3° | 0.3° |
| C06 | N07 | C08 | H20 | 64.5° | 114.3° |
| N07 | C21 | C20 | H11 | 120.8° | 119.8° |
| N07 | C21 | C20 | H12 | 120.8° | 120.0° |
| C21 | N07 | C08 | C09 | 5.0° | 54.1° |
| N07 | C21 | C20 | C10 | 51.5° | 53.8° |
| C21 | N07 | C08 | H7 | 126.2° | 173.9° |
| N07 | C21 | C20 | H9 | 69.3° | 173.8° |
| N07 | C21 | C20 | H10 | 172.3° | 66.2° |
| N07 | C21 | H11 | H12 | 117.5° | 120.5° |
| C21 | N07 | C08 | H20 | 116.2° | 65.7° |
| C08 | N07 | C21 | C20 | 20.5° | 54.1° |
| N07 | C08 | C09 | H7 | 121.2° | 119.8° |
| N07 | C08 | C09 | H20 | 121.2° | 119.9° |
| N07 | C08 | C09 | C10 | 2.0° | 53.8° |
| N07 | C08 | H7 | H20 | 116.3° | 120.5° |
| N07 | C08 | C09 | H8 | 119.6° | 66.1° |
| C08 | N07 | C21 | H11 | 141.4° | 65.6° |
| C08 | N07 | C21 | H12 | 100.3° | 174.0° |
| N07 | C08 | C09 | H21 | 123.6° | 173.7° |
| C21 | C20 | C10 | H9 | 120.8° | 120.0° |
| C21 | C20 | C10 | H10 | 120.8° | 120.0° |
| C21 | C20 | C10 | C09 | 52.7° | 60.1° |
| C21 | C20 | C10 | C18 | 60.8° | 62.6° |
| C21 | C20 | C10 | C11 | 176.5° | 176.9° |
| C21 | C20 | H9 | H10 | 117.6° | 120.0° |
| C20 | C21 | H11 | H12 | 117.5° | 120.3° |
| C08 | C09 | C10 | C20 | 26.1° | 60.1° |
| C08 | C09 | C10 | H8 | 121.6° | 119.9° |
| C08 | C09 | C10 | H21 | 121.6° | 120.0° |
| C08 | C09 | C10 | C18 | 93.4° | 62.6° |
| C08 | C09 | C10 | C11 | 159.8° | 176.8° |
| C09 | C08 | H7 | H20 | 116.3° | 120.2° |
| C08 | C09 | H8 | H21 | 114.9° | 120.1° |
| C20 | C10 | C09 | C18 | 119.5° | 122.7° |
| C20 | C10 | C09 | C11 | 133.7° | 123.1° |
| C20 | C10 | C18 | O19 | 56.4° | 61.4° |
| C20 | C10 | C18 | C11 | 125.8° | 118.7° |
| C20 | C10 | C18 | O17 | 125.5° | 118.7° |
| C20 | C10 | C11 | C12 | 58.6° | 61.4° |
| C20 | C10 | C11 | C16 | 122.1° | 118.5° |
| C20 | C10 | C09 | H8 | 147.7° | 59.9° |
| C10 | C20 | H9 | H10 | 117.6° | 120.1° |
| C10 | C20 | C21 | H11 | 172.3° | 66.0° |
| C10 | C20 | C21 | H12 | 69.3° | 173.8° |
| C20 | C10 | C09 | H21 | 95.4° | 179.9° |
| C09 | C10 | C18 | O19 | 62.3° | 61.6° |
| C09 | C10 | C18 | C11 | 115.5° | 118.4° |
| C09 | C10 | C18 | O17 | 115.8° | 118.4° |
| C09 | C10 | C11 | C12 | 71.7° | 61.8° |
| C09 | C10 | C11 | C16 | 107.6° | 118.3° |
| C10 | C09 | C08 | H7 | 123.2° | 173.6° |
| C10 | C09 | H8 | H21 | 114.9° | 120.0° |
| C09 | C10 | C20 | H9 | 68.1° | 180.0° |
| C09 | C10 | C20 | H10 | 173.5° | 59.9° |
| C10 | C09 | C08 | H20 | 119.2° | 66.1° |
| O19 | C18 | C10 | O17 | 178.1° | 180.0° |
| O19 | C18 | C10 | C11 | 177.8° | 180.0° |
| O19 | C18 | O17 | C16 | 177.6° | 180.0° |
| C18 | C10 | C11 | C12 | 179.6° | 179.9° |
| C18 | C10 | C11 | C16 | 0.3° | 0.0° |
| C10 | C18 | O17 | C16 | 0.8° | 0.0° |
| C18 | C10 | C09 | H8 | 28.2° | 177.4° |
| C18 | C10 | C20 | H9 | 178.4° | 57.4° |
| C18 | C10 | C20 | H10 | 60.0° | 177.4° |
| C18 | C10 | C09 | H21 | 145.1° | 57.4° |
| C11 | C10 | C18 | O17 | 0.3° | 0.0° |
| C10 | C11 | C12 | C16 | 179.3° | 179.9° |
| C10 | C11 | C16 | O17 | 0.9° | 0.0° |
| C10 | C11 | C12 | C13 | 179.4° | 180.0° |
| C10 | C11 | C16 | C15 | 179.5° | 180.0° |
| C10 | C11 | C12 | H1 | 0.6° | 0.1° |
| C11 | C10 | C09 | H8 | 78.6° | 63.3° |
| C11 | C10 | C20 | H9 | 62.7° | 56.9° |
| C11 | C10 | C20 | H10 | 55.7° | 63.1° |
| C11 | C10 | C09 | H21 | 38.3° | 56.8° |
| C18 | O17 | C16 | C11 | 1.0° | 0.0° |
| C18 | O17 | C16 | C15 | 179.4° | 180.0° |
| C12 | C11 | C16 | O17 | 179.7° | 179.9° |
| C11 | C12 | C13 | H1 | 180.0° | 179.9° |
| C12 | C11 | C16 | C15 | 0.1° | 0.1° |
| C11 | C12 | C13 | C14 | 0.3° | 0.1° |
| C11 | C12 | C13 | H2 | 179.7° | 179.9° |
| C11 | C16 | O17 | C15 | 179.6° | 180.0° |
| C16 | C11 | C12 | C13 | 0.2° | 0.1° |
| C11 | C16 | C15 | C14 | 0.2° | 0.0° |
| C16 | C11 | C12 | H1 | 179.8° | 180.0° |
| C11 | C16 | C15 | H4 | 179.8° | 179.9° |
| O17 | C16 | C15 | C14 | 179.7° | 180.0° |
| O17 | C16 | C15 | H4 | 0.3° | 0.1° |
| C12 | C13 | C14 | H2 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.3° | 0.0° |
| C12 | C13 | C14 | H3 | 179.7° | 179.9° |
| C16 | C15 | C14 | C13 | 0.3° | 0.0° |
| C16 | C15 | C14 | H4 | 180.0° | 179.9° |
| C16 | C15 | C14 | H3 | 179.7° | 179.9° |
| C13 | C14 | C15 | H3 | 180.0° | 179.9° |
| C14 | C13 | C12 | H1 | 179.7° | 180.0° |
| C13 | C14 | C15 | H4 | 179.7° | 180.0° |
| C15 | C14 | C13 | H2 | 179.6° | 180.0° |
| H1 | C12 | C13 | H2 | 0.3° | 0.0° |
| H2 | C13 | C14 | H3 | 0.4° | 0.1° |
| H3 | C14 | C15 | H4 | 0.3° | 0.0° |
| H5 | C01 | C26 | H17 | 71.6° | 50.1° |
| H5 | C01 | C26 | H18 | 48.3° | 170.6° |
| H6 | C01 | C26 | H17 | 47.7° | 69.4° |
| H6 | C01 | C26 | H18 | 167.6° | 51.2° |
| H7 | C08 | C09 | H8 | 1.6° | 53.7° |
| H7 | C08 | C09 | H21 | 115.3° | 66.4° |
| H8 | C09 | C08 | H20 | 119.3° | 174.0° |
| H9 | C20 | C21 | H11 | 51.5° | 54.0° |
| H9 | C20 | C21 | H12 | 169.9° | 66.3° |
| H10 | C20 | C21 | H11 | 66.9° | 174.0° |
| H10 | C20 | C21 | H12 | 51.5° | 53.8° |
| H13 | C24 | C25 | H15 | 50.0° | 50.4° |
| H13 | C24 | C25 | H16 | 70.5° | 171.0° |
| H14 | C24 | C25 | H15 | 168.7° | 69.0° |
| H14 | C24 | C25 | H16 | 48.2° | 51.6° |
| H15 | C25 | C26 | H17 | 65.6° | 51.4° |
| H15 | C25 | C26 | H18 | 174.5° | 69.3° |
| H16 | C25 | C26 | H17 | 54.9° | 69.2° |
| H16 | C25 | C26 | H18 | 65.0° | 170.1° |
| H20 | C08 | C09 | H21 | 2.4° | 53.8° |






