ND6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N19 | C18 | trip | 1.14Å | 1.13Å | |
| C18 | C17 | sing | 1.43Å | 1.51Å | |
| C17 | C20 | doub | 1.40Å | 1.40Å | Aromatic |
| C17 | N16 | sing | 1.33Å | 1.30Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.41Å | Aromatic |
| N16 | N15 | doub | 1.28Å | 1.33Å | Aromatic |
| C21 | C14 | doub | 1.40Å | 1.40Å | Aromatic |
| N15 | C14 | sing | 1.33Å | 1.30Å | Aromatic |
| C14 | N13 | sing | 1.39Å | 1.42Å | |
| N13 | C22 | sing | 1.47Å | 1.48Å | |
| N13 | C12 | sing | 1.47Å | 1.49Å | |
| C22 | C23 | sing | 1.53Å | 1.51Å | |
| C12 | C11 | sing | 1.53Å | 1.51Å | |
| C23 | N10 | sing | 1.47Å | 1.42Å | |
| C11 | N10 | sing | 1.47Å | 1.41Å | |
| N10 | C09 | sing | 1.35Å | 1.40Å | |
| C09 | C08 | sing | 1.51Å | 1.51Å | |
| C09 | O24 | doub | 1.21Å | 1.17Å | |
| C08 | C07 | sing | 1.51Å | 1.51Å | |
| C06 | C07 | doub | 1.38Å | 1.39Å | Aromatic |
| C06 | C05 | sing | 1.38Å | 1.39Å | Aromatic |
| C07 | C25 | sing | 1.38Å | 1.37Å | Aromatic |
| C05 | C04 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | C26 | doub | 1.38Å | 1.38Å | Aromatic |
| C04 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C04 | C02 | sing | 1.51Å | 1.53Å | |
| C02 | C03 | sing | 1.53Å | 1.53Å | |
| C02 | C01 | sing | 1.53Å | 1.55Å | |
| O04 | C01 | sing | 1.43Å | 1.42Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C02 | H3 | sing | 1.09Å | 1.10Å | |
| C03 | H4 | sing | 1.09Å | 1.10Å | |
| C03 | H5 | sing | 1.09Å | 1.10Å | |
| C03 | H6 | sing | 1.09Å | 1.10Å | |
| C05 | H7 | sing | 1.08Å | 1.08Å | |
| C06 | H8 | sing | 1.08Å | 1.08Å | |
| C08 | H9 | sing | 1.09Å | 1.10Å | |
| C08 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C20 | H15 | sing | 1.08Å | 1.08Å | |
| C21 | H16 | sing | 1.08Å | 1.08Å | |
| C22 | H17 | sing | 1.09Å | 1.10Å | |
| C22 | H18 | sing | 1.09Å | 1.10Å | |
| C23 | H19 | sing | 1.09Å | 1.10Å | |
| C23 | H20 | sing | 1.09Å | 1.10Å | |
| C25 | H21 | sing | 1.08Å | 1.08Å | |
| C26 | H22 | sing | 1.08Å | 1.08Å | |
| O04 | H23 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N19 | C18 | C17 | 176.7° | 179.9° |
| C18 | C17 | C20 | 118.2° | 120.1° |
| C18 | C17 | N16 | 118.4° | 120.1° |
| C20 | C17 | N16 | 123.5° | 119.8° |
| C17 | C20 | C21 | 117.2° | 118.0° |
| C17 | C20 | H15 | 121.4° | 121.0° |
| C17 | N16 | N15 | 119.6° | 122.1° |
| C20 | C21 | C14 | 114.7° | 118.0° |
| C21 | C20 | H15 | 121.4° | 121.0° |
| C20 | C21 | H16 | 122.6° | 121.0° |
| N16 | N15 | C14 | 120.5° | 122.2° |
| C21 | C14 | N15 | 124.5° | 119.9° |
| C21 | C14 | N13 | 118.2° | 120.0° |
| C14 | C21 | H16 | 122.6° | 121.0° |
| N15 | C14 | N13 | 117.3° | 120.1° |
| C14 | N13 | C22 | 121.0° | 111.0° |
| C14 | N13 | C12 | 121.1° | 111.0° |
| C22 | N13 | C12 | 115.8° | 111.3° |
| N13 | C22 | C23 | 112.9° | 109.3° |
| N13 | C22 | H17 | 108.6° | 109.5° |
| N13 | C22 | H18 | 108.6° | 109.5° |
| N13 | C12 | C11 | 110.6° | 109.4° |
| N13 | C12 | H13 | 109.1° | 109.5° |
| N13 | C12 | H14 | 109.2° | 109.6° |
| C22 | C23 | N10 | 115.7° | 108.5° |
| C23 | C22 | H17 | 108.6° | 109.5° |
| C23 | C22 | H18 | 108.6° | 109.5° |
| C22 | C23 | H19 | 107.9° | 109.7° |
| C22 | C23 | H20 | 107.9° | 109.6° |
| C12 | C11 | N10 | 110.6° | 108.5° |
| C12 | C11 | H11 | 109.2° | 109.6° |
| C12 | C11 | H12 | 109.2° | 109.8° |
| C11 | C12 | H13 | 109.2° | 109.4° |
| C11 | C12 | H14 | 109.2° | 109.5° |
| C23 | N10 | C11 | 120.5° | 118.3° |
| C23 | N10 | C09 | 118.4° | 120.8° |
| N10 | C23 | H19 | 107.9° | 109.6° |
| N10 | C23 | H20 | 107.9° | 109.6° |
| C11 | N10 | C09 | 121.0° | 120.9° |
| N10 | C11 | H11 | 109.2° | 109.7° |
| N10 | C11 | H12 | 109.2° | 109.6° |
| N10 | C09 | C08 | 116.3° | 120.0° |
| N10 | C09 | O24 | 118.4° | 119.9° |
| C08 | C09 | O24 | 125.3° | 120.0° |
| C09 | C08 | C07 | 111.1° | 109.4° |
| C09 | C08 | H9 | 109.0° | 109.5° |
| C09 | C08 | H10 | 109.0° | 109.4° |
| C08 | C07 | C06 | 121.3° | 120.0° |
| C08 | C07 | C25 | 119.0° | 120.0° |
| C07 | C08 | H9 | 109.1° | 109.5° |
| C07 | C08 | H10 | 109.1° | 109.5° |
| C07 | C06 | C05 | 121.5° | 120.0° |
| C06 | C07 | C25 | 119.7° | 120.0° |
| C07 | C06 | H8 | 119.3° | 120.0° |
| C06 | C05 | C04 | 119.0° | 120.0° |
| C06 | C05 | H7 | 120.5° | 120.0° |
| C05 | C06 | H8 | 119.2° | 120.0° |
| C07 | C25 | C26 | 119.1° | 120.0° |
| C07 | C25 | H21 | 120.4° | 120.0° |
| C05 | C04 | C26 | 118.7° | 120.0° |
| C05 | C04 | C02 | 121.0° | 120.0° |
| C04 | C05 | H7 | 120.5° | 120.0° |
| C25 | C26 | C04 | 122.0° | 119.9° |
| C26 | C25 | H21 | 120.5° | 120.0° |
| C25 | C26 | H22 | 119.0° | 120.0° |
| C26 | C04 | C02 | 120.3° | 120.0° |
| C04 | C26 | H22 | 119.0° | 120.0° |
| C04 | C02 | C03 | 109.4° | 109.5° |
| C04 | C02 | C01 | 110.5° | 109.5° |
| C04 | C02 | H3 | 107.3° | 109.4° |
| C03 | C02 | C01 | 115.0° | 109.5° |
| C03 | C02 | H3 | 107.2° | 109.4° |
| C02 | C03 | H4 | 109.5° | 109.5° |
| C02 | C03 | H5 | 109.4° | 109.5° |
| C02 | C03 | H6 | 109.5° | 109.5° |
| C02 | C01 | O04 | 113.0° | 109.5° |
| C02 | C01 | H1 | 108.6° | 109.5° |
| C02 | C01 | H2 | 108.5° | 109.4° |
| C01 | C02 | H3 | 107.1° | 109.5° |
| O04 | C01 | H1 | 108.5° | 109.5° |
| O04 | C01 | H2 | 108.6° | 109.5° |
| C01 | O04 | H23 | 109.5° | 114.0° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H4 | C03 | H5 | 109.5° | 109.4° |
| H4 | C03 | H6 | 109.4° | 109.4° |
| H5 | C03 | H6 | 109.5° | 109.5° |
| H9 | C08 | H10 | 109.5° | 109.5° |
| H11 | C11 | H12 | 109.5° | 109.6° |
| H13 | C12 | H14 | 109.5° | 109.5° |
| H17 | C22 | H18 | 109.5° | 109.5° |
| H19 | C23 | H20 | 109.5° | 109.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N19 | C18 | C17 | C20 | 19.8° | 55.8° |
| N19 | C18 | C17 | N16 | 161.3° | 123.9° |
| C18 | C17 | C20 | N16 | 178.9° | 179.8° |
| C18 | C17 | C20 | C21 | 178.7° | 180.0° |
| C18 | C17 | N16 | N15 | 179.8° | 180.0° |
| C18 | C17 | C20 | H15 | 1.2° | 0.3° |
| C17 | C20 | C21 | H15 | 180.0° | 179.7° |
| C20 | C17 | N16 | N15 | 0.9° | 0.3° |
| C17 | C20 | C21 | C14 | 0.3° | 0.0° |
| C17 | C20 | C21 | H16 | 179.7° | 179.9° |
| N16 | C17 | C20 | C21 | 0.1° | 0.3° |
| C17 | N16 | N15 | C14 | 1.8° | 0.0° |
| N16 | C17 | C20 | H15 | 179.9° | 180.0° |
| C20 | C21 | C14 | H16 | 180.0° | 179.9° |
| C20 | C21 | C14 | N15 | 0.6° | 0.3° |
| C20 | C21 | C14 | N13 | 179.6° | 180.0° |
| N16 | N15 | C14 | C21 | 1.7° | 0.3° |
| N16 | N15 | C14 | N13 | 178.5° | 180.0° |
| C21 | C14 | N15 | N13 | 179.8° | 179.7° |
| C21 | C14 | N13 | C22 | 13.0° | 180.0° |
| C21 | C14 | N13 | C12 | 175.6° | 55.7° |
| C14 | C21 | C20 | H15 | 179.7° | 179.7° |
| N15 | C14 | N13 | C22 | 166.9° | 0.3° |
| N15 | C14 | N13 | C12 | 4.2° | 124.5° |
| N15 | C14 | C21 | H16 | 179.4° | 179.7° |
| C14 | N13 | C22 | C12 | 163.6° | 124.1° |
| C14 | N13 | C22 | C23 | 155.4° | 172.7° |
| C14 | N13 | C12 | C11 | 144.8° | 172.8° |
| C14 | N13 | C12 | H13 | 95.0° | 52.8° |
| C14 | N13 | C12 | H14 | 24.7° | 67.3° |
| N13 | C14 | C21 | H16 | 0.4° | 0.1° |
| C14 | N13 | C22 | H17 | 34.9° | 67.3° |
| C14 | N13 | C22 | H18 | 84.1° | 52.8° |
| N13 | C22 | C23 | H17 | 120.5° | 120.0° |
| N13 | C22 | C23 | H18 | 120.5° | 120.0° |
| C22 | N13 | C12 | C11 | 51.6° | 63.1° |
| N13 | C22 | C23 | N10 | 32.7° | 53.9° |
| C22 | N13 | C12 | H13 | 68.5° | 176.9° |
| C22 | N13 | C12 | H14 | 171.8° | 56.8° |
| N13 | C22 | H17 | H18 | 118.4° | 120.1° |
| N13 | C22 | C23 | H19 | 88.2° | 65.9° |
| N13 | C22 | C23 | H20 | 153.6° | 173.6° |
| C12 | N13 | C22 | C23 | 41.0° | 63.1° |
| N13 | C12 | C11 | H13 | 120.2° | 120.0° |
| N13 | C12 | C11 | H14 | 120.2° | 120.0° |
| N13 | C12 | C11 | N10 | 52.7° | 53.8° |
| N13 | C12 | C11 | H11 | 172.8° | 173.6° |
| N13 | C12 | C11 | H12 | 67.5° | 66.0° |
| N13 | C12 | H13 | H14 | 119.5° | 120.1° |
| C12 | N13 | C22 | H17 | 161.6° | 56.9° |
| C12 | N13 | C22 | H18 | 79.5° | 176.9° |
| C22 | C23 | N10 | H19 | 120.9° | 119.7° |
| C22 | C23 | N10 | H20 | 120.9° | 119.7° |
| C22 | C23 | N10 | C11 | 39.3° | 51.2° |
| C22 | C23 | N10 | C09 | 144.1° | 128.8° |
| C23 | C22 | H17 | H18 | 118.4° | 120.0° |
| C22 | C23 | H19 | H20 | 117.1° | 120.4° |
| C12 | C11 | N10 | C23 | 49.0° | 51.1° |
| C12 | C11 | N10 | H11 | 120.2° | 119.7° |
| C12 | C11 | N10 | H12 | 120.2° | 119.9° |
| C12 | C11 | N10 | C09 | 134.4° | 128.8° |
| C12 | C11 | H11 | H12 | 119.5° | 120.5° |
| C11 | C12 | H13 | H14 | 119.5° | 120.0° |
| C23 | N10 | C11 | C09 | 176.5° | 180.0° |
| C23 | N10 | C09 | C08 | 2.0° | 0.0° |
| C23 | N10 | C09 | O24 | 178.0° | 180.0° |
| C23 | N10 | C11 | H11 | 169.2° | 170.9° |
| C23 | N10 | C11 | H12 | 71.1° | 68.7° |
| N10 | C23 | C22 | H17 | 153.2° | 66.1° |
| N10 | C23 | C22 | H18 | 87.9° | 173.8° |
| N10 | C23 | H19 | H20 | 117.2° | 120.5° |
| C11 | N10 | C09 | C08 | 178.7° | 180.0° |
| C11 | N10 | C09 | O24 | 1.4° | 0.0° |
| N10 | C11 | H11 | H12 | 119.5° | 120.4° |
| N10 | C11 | C12 | H13 | 67.5° | 173.8° |
| N10 | C11 | C12 | H14 | 172.8° | 66.2° |
| C11 | N10 | C23 | H19 | 81.6° | 68.5° |
| C11 | N10 | C23 | H20 | 160.1° | 170.9° |
| N10 | C09 | C08 | O24 | 180.0° | 180.0° |
| N10 | C09 | C08 | C07 | 165.3° | 180.0° |
| N10 | C09 | C08 | H9 | 45.1° | 60.0° |
| N10 | C09 | C08 | H10 | 74.4° | 60.0° |
| C09 | N10 | C11 | H11 | 14.3° | 9.1° |
| C09 | N10 | C11 | H12 | 105.4° | 111.3° |
| C09 | N10 | C23 | H19 | 95.0° | 111.5° |
| C09 | N10 | C23 | H20 | 23.2° | 9.1° |
| C09 | C08 | C07 | H9 | 120.2° | 120.0° |
| C09 | C08 | C07 | H10 | 120.3° | 120.0° |
| C09 | C08 | C07 | C06 | 84.8° | 90.0° |
| C09 | C08 | C07 | C25 | 94.3° | 90.0° |
| C09 | C08 | H9 | H10 | 119.2° | 120.0° |
| O24 | C09 | C08 | C07 | 14.7° | 0.0° |
| O24 | C09 | C08 | H9 | 134.9° | 120.0° |
| O24 | C09 | C08 | H10 | 105.6° | 120.0° |
| C08 | C07 | C06 | C25 | 179.1° | 179.9° |
| C08 | C07 | C06 | C05 | 179.9° | 180.0° |
| C08 | C07 | C25 | C26 | 179.6° | 180.0° |
| C08 | C07 | C06 | H8 | 0.1° | 0.0° |
| C07 | C08 | H9 | H10 | 119.3° | 120.0° |
| C08 | C07 | C25 | H21 | 0.4° | 0.1° |
| C07 | C06 | C05 | H8 | 180.0° | 180.0° |
| C07 | C06 | C05 | C04 | 1.5° | 0.0° |
| C06 | C07 | C25 | C26 | 0.5° | 0.0° |
| C07 | C06 | C05 | H7 | 178.5° | 179.9° |
| C06 | C07 | C08 | H9 | 35.4° | 150.0° |
| C06 | C07 | C08 | H10 | 154.9° | 29.9° |
| C06 | C07 | C25 | H21 | 179.5° | 180.0° |
| C05 | C06 | C07 | C25 | 1.0° | 0.0° |
| C06 | C05 | C04 | H7 | 180.0° | 179.9° |
| C06 | C05 | C04 | C26 | 1.3° | 0.0° |
| C06 | C05 | C04 | C02 | 179.3° | 179.7° |
| C07 | C25 | C26 | H21 | 180.0° | 180.0° |
| C07 | C25 | C26 | C04 | 0.4° | 0.0° |
| C25 | C07 | C06 | H8 | 179.0° | 180.0° |
| C25 | C07 | C08 | H9 | 145.5° | 30.0° |
| C25 | C07 | C08 | H10 | 26.0° | 150.0° |
| C07 | C25 | C26 | H22 | 179.7° | 179.7° |
| C05 | C04 | C26 | C25 | 0.8° | 0.0° |
| C05 | C04 | C26 | C02 | 178.0° | 179.7° |
| C05 | C04 | C02 | C03 | 53.8° | 59.8° |
| C05 | C04 | C02 | C01 | 73.8° | 60.3° |
| C05 | C04 | C02 | H3 | 169.8° | 179.7° |
| C04 | C05 | C06 | H8 | 178.5° | 180.0° |
| C05 | C04 | C26 | H22 | 179.2° | 179.8° |
| C25 | C26 | C04 | H22 | 180.0° | 179.8° |
| C25 | C26 | C04 | C02 | 178.8° | 179.7° |
| C26 | C04 | C02 | C03 | 128.3° | 120.0° |
| C26 | C04 | C02 | C01 | 104.2° | 120.0° |
| C26 | C04 | C02 | H3 | 12.2° | 0.0° |
| C26 | C04 | C05 | H7 | 178.7° | 179.9° |
| C04 | C26 | C25 | H21 | 179.6° | 180.0° |
| C04 | C02 | C03 | C01 | 125.0° | 120.0° |
| C04 | C02 | C03 | H3 | 116.1° | 119.9° |
| C04 | C02 | C01 | H3 | 116.5° | 120.0° |
| C04 | C02 | C01 | O04 | 58.6° | 175.0° |
| C04 | C02 | C01 | H1 | 179.1° | 65.0° |
| C04 | C02 | C01 | H2 | 61.9° | 55.0° |
| C04 | C02 | C03 | H4 | 180.0° | 60.0° |
| C04 | C02 | C03 | H5 | 60.0° | 60.0° |
| C04 | C02 | C03 | H6 | 60.0° | 180.0° |
| C02 | C04 | C05 | H7 | 0.7° | 0.2° |
| C02 | C04 | C26 | H22 | 1.2° | 0.0° |
| C03 | C02 | C01 | H3 | 119.0° | 120.0° |
| C03 | C02 | C01 | O04 | 176.9° | 65.0° |
| C03 | C02 | C01 | H1 | 56.5° | 55.0° |
| C03 | C02 | C01 | H2 | 62.5° | 175.0° |
| C02 | C03 | H4 | H5 | 120.0° | 120.0° |
| C02 | C03 | H4 | H6 | 120.0° | 120.0° |
| C02 | C03 | H5 | H6 | 120.0° | 120.1° |
| C02 | C01 | O04 | H1 | 120.5° | 120.0° |
| C02 | C01 | O04 | H2 | 120.5° | 119.9° |
| C02 | C01 | H1 | H2 | 118.4° | 120.0° |
| C01 | C02 | C03 | H4 | 55.0° | 180.0° |
| C01 | C02 | C03 | H5 | 175.0° | 60.1° |
| C01 | C02 | C03 | H6 | 64.9° | 60.0° |
| C02 | C01 | O04 | H23 | 180.0° | 180.0° |
| O04 | C01 | H1 | H2 | 118.4° | 120.0° |
| O04 | C01 | C02 | H3 | 57.9° | 55.0° |
| H1 | C01 | C02 | H3 | 62.6° | 175.0° |
| H1 | C01 | O04 | H23 | 59.5° | 60.0° |
| H2 | C01 | C02 | H3 | 178.4° | 65.0° |
| H2 | C01 | O04 | H23 | 59.5° | 60.1° |
| H3 | C02 | C03 | H4 | 63.9° | 60.0° |
| H3 | C02 | C03 | H5 | 56.0° | 179.9° |
| H3 | C02 | C03 | H6 | 176.1° | 60.0° |
| H4 | C03 | H5 | H6 | 120.0° | 119.9° |
| H7 | C05 | C06 | H8 | 1.5° | 0.1° |
| H11 | C11 | C12 | H13 | 52.7° | 66.4° |
| H11 | C11 | C12 | H14 | 67.0° | 53.6° |
| H12 | C11 | C12 | H13 | 172.4° | 54.0° |
| H12 | C11 | C12 | H14 | 52.7° | 174.0° |
| H15 | C20 | C21 | H16 | 0.3° | 0.4° |
| H17 | C22 | C23 | H19 | 32.3° | 174.1° |
| H17 | C22 | C23 | H20 | 85.9° | 53.6° |
| H18 | C22 | C23 | H19 | 151.2° | 54.1° |
| H18 | C22 | C23 | H20 | 33.0° | 66.5° |
| H21 | C25 | C26 | H22 | 0.3° | 0.2° |
