A1JUB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C21 | C22 | doub | 1.38Å | 1.53Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.31Å | Aromatic |
| C22 | C16 | sing | 1.39Å | 1.31Å | Aromatic |
| C20 | C18 | doub | 1.38Å | 1.53Å | Aromatic |
| C16 | N15 | sing | 1.40Å | 1.45Å | |
| C16 | C17 | doub | 1.39Å | 1.53Å | Aromatic |
| C14 | N15 | sing | 1.47Å | 1.45Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| N15 | C24 | sing | 1.47Å | 1.45Å | |
| C18 | C17 | sing | 1.38Å | 1.32Å | Aromatic |
| C18 | CL19 | sing | 1.74Å | 1.78Å | |
| C17 | CL23 | sing | 1.74Å | 1.78Å | |
| C24 | C25 | sing | 1.53Å | 1.52Å | |
| C13 | N12 | sing | 1.47Å | 1.45Å | |
| N12 | C25 | sing | 1.47Å | 1.45Å | |
| N12 | C11 | sing | 1.47Å | 1.45Å | |
| C11 | C10 | sing | 1.53Å | 1.53Å | |
| C10 | C07 | sing | 1.53Å | 1.53Å | |
| C06 | C07 | sing | 1.53Å | 1.52Å | |
| C06 | C05 | sing | 1.53Å | 1.53Å | |
| C07 | C08 | sing | 1.53Å | 1.52Å | |
| C05 | C04 | sing | 1.53Å | 1.53Å | |
| C08 | C09 | sing | 1.53Å | 1.53Å | |
| C04 | C09 | sing | 1.53Å | 1.53Å | |
| C04 | N03 | sing | 1.47Å | 1.45Å | |
| N03 | C02 | sing | 1.35Å | 1.45Å | |
| C02 | O01 | doub | 1.21Å | 1.18Å | |
| C02 | O26 | sing | 1.35Å | 1.40Å | |
| C30 | C27 | sing | 1.53Å | 1.53Å | |
| O26 | C27 | sing | 1.45Å | 1.40Å | |
| C27 | C28 | sing | 1.53Å | 1.53Å | |
| C27 | C29 | sing | 1.53Å | 1.53Å | |
| C04 | H1 | sing | 1.09Å | 1.10Å | |
| C05 | H2 | sing | 1.09Å | 1.10Å | |
| C05 | H3 | sing | 1.09Å | 1.10Å | |
| C06 | H4 | sing | 1.09Å | 1.10Å | |
| C06 | H5 | sing | 1.09Å | 1.10Å | |
| C07 | H6 | sing | 1.09Å | 1.10Å | |
| C08 | H7 | sing | 1.09Å | 1.10Å | |
| C08 | H8 | sing | 1.09Å | 1.10Å | |
| C09 | H9 | sing | 1.09Å | 1.10Å | |
| C09 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C20 | H19 | sing | 1.08Å | 1.08Å | |
| C21 | H20 | sing | 1.08Å | 1.08Å | |
| C22 | H21 | sing | 1.08Å | 1.08Å | |
| C24 | H22 | sing | 1.09Å | 1.10Å | |
| C24 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C28 | H26 | sing | 1.09Å | 1.10Å | |
| C28 | H27 | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H30 | sing | 1.09Å | 1.10Å | |
| C29 | H31 | sing | 1.09Å | 1.10Å | |
| C30 | H32 | sing | 1.09Å | 1.10Å | |
| C30 | H33 | sing | 1.09Å | 1.10Å | |
| C30 | H34 | sing | 1.09Å | 1.10Å | |
| N03 | H35 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C22 | C21 | C20 | 120.0° | 120.1° |
| C21 | C22 | C16 | 120.3° | 119.9° |
| C22 | C21 | H20 | 120.0° | 119.9° |
| C21 | C22 | H21 | 119.9° | 120.1° |
| C21 | C20 | C18 | 119.9° | 120.2° |
| C21 | C20 | H19 | 120.1° | 120.0° |
| C20 | C21 | H20 | 120.0° | 119.9° |
| C22 | C16 | N15 | 119.0° | 120.1° |
| C22 | C16 | C17 | 119.8° | 119.9° |
| C16 | C22 | H21 | 119.9° | 120.0° |
| C20 | C18 | C17 | 120.1° | 120.0° |
| C20 | C18 | CL19 | 120.0° | 120.0° |
| C18 | C20 | H19 | 120.0° | 119.9° |
| N15 | C16 | C17 | 121.2° | 120.1° |
| C16 | N15 | C14 | 120.0° | 111.0° |
| C16 | N15 | C24 | 121.5° | 111.0° |
| C16 | C17 | C18 | 120.0° | 119.9° |
| C16 | C17 | CL23 | 120.7° | 120.1° |
| N15 | C14 | C13 | 115.2° | 109.3° |
| C14 | N15 | C24 | 118.4° | 110.9° |
| N15 | C14 | H17 | 108.0° | 109.5° |
| N15 | C14 | H18 | 108.0° | 109.5° |
| C14 | C13 | N12 | 113.1° | 109.4° |
| C14 | C13 | H15 | 108.6° | 109.5° |
| C14 | C13 | H16 | 108.6° | 109.5° |
| C13 | C14 | H17 | 108.0° | 109.5° |
| C13 | C14 | H18 | 108.0° | 109.5° |
| N15 | C24 | C25 | 109.9° | 109.3° |
| N15 | C24 | H22 | 109.4° | 109.5° |
| N15 | C24 | H23 | 109.4° | 109.5° |
| C17 | C18 | CL19 | 119.8° | 120.0° |
| C18 | C17 | CL23 | 119.3° | 120.0° |
| C24 | C25 | N12 | 106.5° | 109.4° |
| C25 | C24 | H22 | 109.4° | 109.5° |
| C25 | C24 | H23 | 109.3° | 109.4° |
| C24 | C25 | H24 | 110.2° | 109.5° |
| C24 | C25 | H25 | 110.2° | 109.5° |
| C13 | N12 | C25 | 111.2° | 110.9° |
| C13 | N12 | C11 | 108.4° | 111.0° |
| N12 | C13 | H15 | 108.6° | 109.5° |
| N12 | C13 | H16 | 108.6° | 109.5° |
| C25 | N12 | C11 | 108.8° | 111.0° |
| N12 | C25 | H24 | 110.2° | 109.5° |
| N12 | C25 | H25 | 110.2° | 109.5° |
| N12 | C11 | C10 | 109.7° | 109.5° |
| N12 | C11 | H13 | 109.4° | 109.5° |
| N12 | C11 | H14 | 109.4° | 109.5° |
| C11 | C10 | C07 | 108.7° | 109.5° |
| C11 | C10 | H11 | 109.7° | 109.5° |
| C11 | C10 | H12 | 109.7° | 109.5° |
| C10 | C11 | H13 | 109.4° | 109.5° |
| C10 | C11 | H14 | 109.4° | 109.4° |
| C10 | C07 | C06 | 109.9° | 109.5° |
| C10 | C07 | C08 | 109.5° | 109.4° |
| C10 | C07 | H6 | 109.4° | 109.5° |
| C07 | C10 | H11 | 109.6° | 109.5° |
| C07 | C10 | H12 | 109.7° | 109.5° |
| C07 | C06 | C05 | 109.4° | 109.4° |
| C06 | C07 | C08 | 109.0° | 109.5° |
| C07 | C06 | H4 | 109.5° | 109.5° |
| C07 | C06 | H5 | 109.5° | 109.4° |
| C06 | C07 | H6 | 109.5° | 109.5° |
| C06 | C05 | C04 | 115.0° | 109.5° |
| C06 | C05 | H2 | 108.1° | 109.4° |
| C06 | C05 | H3 | 108.1° | 109.5° |
| C05 | C06 | H4 | 109.5° | 109.5° |
| C05 | C06 | H5 | 109.4° | 109.5° |
| C07 | C08 | C09 | 109.4° | 109.5° |
| C08 | C07 | H6 | 109.5° | 109.5° |
| C07 | C08 | H7 | 109.5° | 109.5° |
| C07 | C08 | H8 | 109.5° | 109.5° |
| C05 | C04 | C09 | 110.7° | 109.5° |
| C05 | C04 | N03 | 108.5° | 109.4° |
| C05 | C04 | H1 | 109.2° | 109.5° |
| C04 | C05 | H2 | 108.1° | 109.5° |
| C04 | C05 | H3 | 108.1° | 109.5° |
| C08 | C09 | C04 | 114.0° | 109.5° |
| C09 | C08 | H7 | 109.5° | 109.4° |
| C09 | C08 | H8 | 109.5° | 109.5° |
| C08 | C09 | H9 | 108.3° | 109.4° |
| C08 | C09 | H10 | 108.3° | 109.5° |
| C09 | C04 | N03 | 109.1° | 109.5° |
| C09 | C04 | H1 | 109.1° | 109.5° |
| C04 | C09 | H9 | 108.3° | 109.5° |
| C04 | C09 | H10 | 108.3° | 109.5° |
| C04 | N03 | C02 | 120.4° | 120.0° |
| N03 | C04 | H1 | 110.2° | 109.5° |
| C04 | N03 | H35 | 119.8° | 120.0° |
| N03 | C02 | O01 | 120.2° | 120.0° |
| N03 | C02 | O26 | 119.6° | 120.0° |
| C02 | N03 | H35 | 119.8° | 120.0° |
| O01 | C02 | O26 | 120.2° | 119.9° |
| C02 | O26 | C27 | 114.6° | 117.0° |
| C30 | C27 | O26 | 110.1° | 109.4° |
| C30 | C27 | C28 | 109.1° | 109.5° |
| C30 | C27 | C29 | 109.8° | 109.5° |
| C27 | C30 | H32 | 109.5° | 109.5° |
| C27 | C30 | H33 | 109.5° | 109.5° |
| C27 | C30 | H34 | 109.5° | 109.4° |
| O26 | C27 | C28 | 109.0° | 109.5° |
| O26 | C27 | C29 | 109.6° | 109.5° |
| C28 | C27 | C29 | 109.2° | 109.5° |
| C27 | C28 | H26 | 109.5° | 109.5° |
| C27 | C28 | H27 | 109.4° | 109.5° |
| C27 | C28 | H28 | 109.4° | 109.4° |
| C27 | C29 | H29 | 109.5° | 109.5° |
| C27 | C29 | H30 | 109.5° | 109.5° |
| C27 | C29 | H31 | 109.5° | 109.5° |
| H2 | C05 | H3 | 109.5° | 109.5° |
| H4 | C06 | H5 | 109.5° | 109.5° |
| H7 | C08 | H8 | 109.5° | 109.4° |
| H9 | C09 | H10 | 109.5° | 109.5° |
| H11 | C10 | H12 | 109.5° | 109.4° |
| H13 | C11 | H14 | 109.5° | 109.5° |
| H15 | C13 | H16 | 109.4° | 109.5° |
| H17 | C14 | H18 | 109.5° | 109.5° |
| H22 | C24 | H23 | 109.5° | 109.5° |
| H24 | C25 | H25 | 109.5° | 109.5° |
| H26 | C28 | H27 | 109.5° | 109.5° |
| H26 | C28 | H28 | 109.5° | 109.4° |
| H27 | C28 | H28 | 109.4° | 109.5° |
| H29 | C29 | H30 | 109.5° | 109.5° |
| H29 | C29 | H31 | 109.4° | 109.5° |
| H30 | C29 | H31 | 109.4° | 109.5° |
| H32 | C30 | H33 | 109.4° | 109.5° |
| H32 | C30 | H34 | 109.5° | 109.4° |
| H33 | C30 | H34 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C22 | C21 | C20 | H20 | 180.0° | 179.5° |
| C21 | C22 | C16 | H21 | 180.0° | 179.5° |
| C22 | C21 | C20 | C18 | 0.1° | 0.2° |
| C21 | C22 | C16 | N15 | 179.9° | 179.7° |
| C21 | C22 | C16 | C17 | 0.0° | 0.5° |
| C22 | C21 | C20 | H19 | 179.9° | 179.8° |
| C20 | C21 | C22 | C16 | 0.1° | 0.5° |
| C21 | C20 | C18 | H19 | 180.0° | 180.0° |
| C21 | C20 | C18 | C17 | 0.0° | 0.0° |
| C21 | C20 | C18 | CL19 | 179.9° | 180.0° |
| C20 | C21 | C22 | H21 | 179.9° | 180.0° |
| C22 | C16 | N15 | C17 | 179.9° | 179.8° |
| C22 | C16 | N15 | C14 | 53.2° | 113.1° |
| C22 | C16 | N15 | C24 | 125.9° | 10.7° |
| C22 | C16 | C17 | C18 | 0.1° | 0.3° |
| C22 | C16 | C17 | CL23 | 179.9° | 179.8° |
| C16 | C22 | C21 | H20 | 179.9° | 180.0° |
| C20 | C18 | C17 | C16 | 0.1° | 0.0° |
| C20 | C18 | C17 | CL19 | 180.0° | 180.0° |
| C20 | C18 | C17 | CL23 | 179.9° | 180.0° |
| C18 | C20 | C21 | H20 | 179.9° | 179.7° |
| C16 | N15 | C14 | C24 | 179.1° | 123.8° |
| C16 | N15 | C14 | C13 | 150.4° | 176.8° |
| N15 | C16 | C17 | C18 | 180.0° | 180.0° |
| N15 | C16 | C17 | CL23 | 0.1° | 0.0° |
| C16 | N15 | C24 | C25 | 135.6° | 176.8° |
| C16 | N15 | C14 | H17 | 29.5° | 63.2° |
| C16 | N15 | C14 | H18 | 88.8° | 56.9° |
| N15 | C16 | C22 | H21 | 0.0° | 0.2° |
| C16 | N15 | C24 | H22 | 104.3° | 56.9° |
| C16 | N15 | C24 | H23 | 15.5° | 63.2° |
| C17 | C16 | N15 | C14 | 126.9° | 67.2° |
| C17 | C16 | N15 | C24 | 54.0° | 169.0° |
| C16 | C17 | C18 | CL23 | 179.9° | 180.0° |
| C16 | C17 | C18 | CL19 | 180.0° | 180.0° |
| C17 | C16 | C22 | H21 | 180.0° | 180.0° |
| N15 | C14 | C13 | H17 | 120.8° | 120.0° |
| N15 | C14 | C13 | H18 | 120.8° | 120.0° |
| C14 | N15 | C24 | C25 | 45.3° | 59.3° |
| N15 | C14 | C13 | N12 | 32.6° | 58.4° |
| N15 | C14 | C13 | H15 | 87.9° | 61.6° |
| N15 | C14 | C13 | H16 | 153.2° | 178.4° |
| N15 | C14 | H17 | H18 | 117.4° | 120.1° |
| C14 | N15 | C24 | H22 | 74.8° | 179.3° |
| C14 | N15 | C24 | H23 | 165.4° | 60.6° |
| C13 | C14 | N15 | C24 | 30.5° | 59.4° |
| C14 | C13 | N12 | H15 | 120.6° | 120.0° |
| C14 | C13 | N12 | H16 | 120.6° | 120.0° |
| C14 | C13 | N12 | C25 | 52.9° | 59.3° |
| C14 | C13 | N12 | C11 | 172.5° | 176.8° |
| C14 | C13 | H15 | H16 | 118.4° | 120.0° |
| C13 | C14 | H17 | H18 | 117.4° | 120.1° |
| N15 | C24 | C25 | H22 | 120.1° | 120.0° |
| N15 | C24 | C25 | H23 | 120.1° | 120.0° |
| N15 | C24 | C25 | N12 | 62.1° | 58.3° |
| C24 | N15 | C14 | H17 | 151.4° | 60.6° |
| C24 | N15 | C14 | H18 | 90.3° | 179.3° |
| N15 | C24 | H22 | H23 | 119.8° | 120.1° |
| N15 | C24 | C25 | H24 | 178.3° | 178.4° |
| N15 | C24 | C25 | H25 | 57.4° | 61.6° |
| C17 | C18 | C20 | H19 | 180.0° | 180.0° |
| CL19 | C18 | C17 | CL23 | 0.1° | 0.0° |
| CL19 | C18 | C20 | H19 | 0.0° | 0.0° |
| C24 | C25 | N12 | C13 | 67.5° | 59.3° |
| C24 | C25 | N12 | H24 | 119.5° | 120.0° |
| C24 | C25 | N12 | H25 | 119.6° | 120.0° |
| C24 | C25 | N12 | C11 | 173.2° | 176.8° |
| C25 | C24 | H22 | H23 | 119.8° | 120.0° |
| C24 | C25 | H24 | H25 | 121.4° | 120.0° |
| C13 | N12 | C25 | C11 | 119.3° | 123.9° |
| C13 | N12 | C11 | C10 | 147.4° | 170.0° |
| C13 | N12 | C11 | H13 | 92.6° | 50.0° |
| C13 | N12 | C11 | H14 | 27.3° | 70.0° |
| N12 | C13 | H15 | H16 | 118.3° | 120.1° |
| N12 | C13 | C14 | H17 | 153.5° | 61.6° |
| N12 | C13 | C14 | H18 | 88.2° | 178.4° |
| C13 | N12 | C25 | H24 | 173.0° | 179.3° |
| C13 | N12 | C25 | H25 | 52.1° | 60.7° |
| C25 | N12 | C11 | C10 | 91.6° | 66.1° |
| C25 | N12 | C11 | H13 | 28.4° | 173.8° |
| C25 | N12 | C11 | H14 | 148.3° | 53.8° |
| C25 | N12 | C13 | H15 | 67.6° | 60.7° |
| C25 | N12 | C13 | H16 | 173.5° | 179.3° |
| N12 | C25 | C24 | H22 | 57.9° | 178.3° |
| N12 | C25 | C24 | H23 | 177.8° | 61.6° |
| N12 | C25 | H24 | H25 | 121.4° | 120.0° |
| N12 | C11 | C10 | H13 | 120.0° | 120.1° |
| N12 | C11 | C10 | H14 | 120.0° | 120.0° |
| N12 | C11 | C10 | C07 | 174.6° | 180.0° |
| N12 | C11 | C10 | H11 | 54.7° | 60.0° |
| N12 | C11 | C10 | H12 | 65.5° | 60.0° |
| N12 | C11 | H13 | H14 | 119.9° | 120.0° |
| C11 | N12 | C13 | H15 | 51.9° | 63.2° |
| C11 | N12 | C13 | H16 | 67.0° | 56.8° |
| C11 | N12 | C25 | H24 | 53.7° | 56.8° |
| C11 | N12 | C25 | H25 | 67.2° | 63.2° |
| C11 | C10 | C07 | H11 | 119.9° | 120.0° |
| C11 | C10 | C07 | H12 | 119.9° | 120.0° |
| C11 | C10 | C07 | C06 | 137.7° | 175.0° |
| C11 | C10 | C07 | C08 | 102.6° | 65.0° |
| C11 | C10 | C07 | H6 | 17.4° | 54.9° |
| C11 | C10 | H11 | H12 | 120.4° | 120.0° |
| C10 | C11 | H13 | H14 | 119.9° | 119.9° |
| C10 | C07 | C06 | C08 | 120.0° | 120.0° |
| C10 | C07 | C06 | H6 | 120.2° | 120.0° |
| C10 | C07 | C06 | C05 | 178.8° | 180.0° |
| C10 | C07 | C08 | H6 | 120.0° | 120.0° |
| C10 | C07 | C08 | C09 | 177.4° | 180.0° |
| C10 | C07 | C06 | H4 | 58.8° | 60.0° |
| C10 | C07 | C06 | H5 | 61.2° | 60.0° |
| C10 | C07 | C08 | H7 | 62.6° | 60.0° |
| C10 | C07 | C08 | H8 | 57.4° | 59.9° |
| C07 | C10 | H11 | H12 | 120.4° | 120.0° |
| C07 | C10 | C11 | H13 | 65.4° | 59.9° |
| C07 | C10 | C11 | H14 | 54.6° | 60.0° |
| C07 | C06 | C05 | H4 | 120.0° | 120.0° |
| C07 | C06 | C05 | H5 | 120.0° | 120.0° |
| C06 | C07 | C08 | H6 | 119.7° | 120.0° |
| C07 | C06 | C05 | C04 | 54.5° | 60.0° |
| C06 | C07 | C08 | C09 | 62.3° | 60.0° |
| C07 | C06 | C05 | H2 | 66.3° | 180.0° |
| C07 | C06 | C05 | H3 | 175.3° | 60.0° |
| C07 | C06 | H4 | H5 | 120.1° | 120.0° |
| C06 | C07 | C08 | H7 | 57.7° | 60.0° |
| C06 | C07 | C08 | H8 | 177.7° | 179.9° |
| C06 | C07 | C10 | H11 | 17.9° | 65.0° |
| C06 | C07 | C10 | H12 | 102.4° | 55.0° |
| C05 | C06 | C07 | C08 | 61.2° | 60.0° |
| C06 | C05 | C04 | H2 | 120.8° | 119.9° |
| C06 | C05 | C04 | H3 | 120.8° | 120.0° |
| C06 | C05 | C04 | C09 | 46.7° | 60.1° |
| C06 | C05 | C04 | N03 | 166.4° | 180.0° |
| C06 | C05 | C04 | H1 | 73.5° | 60.0° |
| C06 | C05 | H2 | H3 | 117.5° | 119.9° |
| C05 | C06 | H4 | H5 | 120.0° | 120.1° |
| C05 | C06 | C07 | H6 | 58.6° | 60.0° |
| C07 | C08 | C09 | H7 | 120.0° | 120.0° |
| C07 | C08 | C09 | H8 | 120.0° | 120.0° |
| C07 | C08 | C09 | C04 | 56.2° | 60.0° |
| C08 | C07 | C06 | H4 | 178.9° | 60.0° |
| C08 | C07 | C06 | H5 | 58.8° | 180.0° |
| C07 | C08 | H7 | H8 | 120.0° | 120.0° |
| C07 | C08 | C09 | H9 | 176.9° | 60.0° |
| C07 | C08 | C09 | H10 | 64.4° | 180.0° |
| C08 | C07 | C10 | H11 | 137.5° | 55.0° |
| C08 | C07 | C10 | H12 | 17.3° | 175.0° |
| C05 | C04 | C09 | C08 | 47.4° | 60.0° |
| C05 | C04 | C09 | N03 | 119.3° | 119.9° |
| C05 | C04 | C09 | H1 | 120.2° | 120.0° |
| C05 | C04 | N03 | H1 | 119.5° | 120.0° |
| C05 | C04 | N03 | C02 | 173.6° | 85.0° |
| C04 | C05 | H2 | H3 | 117.5° | 120.1° |
| C04 | C05 | C06 | H4 | 174.5° | 59.9° |
| C04 | C05 | C06 | H5 | 65.5° | 180.0° |
| C05 | C04 | C09 | H9 | 168.0° | 59.9° |
| C05 | C04 | C09 | H10 | 73.3° | 180.0° |
| C05 | C04 | N03 | H35 | 6.4° | 94.9° |
| C08 | C09 | C04 | H9 | 120.7° | 120.0° |
| C08 | C09 | C04 | H10 | 120.7° | 120.0° |
| C08 | C09 | C04 | N03 | 166.7° | 180.0° |
| C08 | C09 | C04 | H1 | 72.8° | 60.0° |
| C09 | C08 | C07 | H6 | 57.4° | 60.0° |
| C09 | C08 | H7 | H8 | 120.0° | 120.0° |
| C08 | C09 | H9 | H10 | 118.0° | 120.0° |
| C09 | C04 | N03 | H1 | 119.8° | 120.0° |
| C09 | C04 | N03 | C02 | 52.9° | 155.0° |
| C09 | C04 | C05 | H2 | 74.1° | 180.0° |
| C09 | C04 | C05 | H3 | 167.5° | 60.0° |
| C04 | C09 | C08 | H7 | 63.8° | 60.0° |
| C04 | C09 | C08 | H8 | 176.2° | 180.0° |
| C04 | C09 | H9 | H10 | 117.9° | 120.0° |
| C09 | C04 | N03 | H35 | 127.1° | 25.0° |
| C04 | N03 | C02 | H35 | 180.0° | 180.0° |
| C04 | N03 | C02 | O01 | 21.2° | 0.0° |
| C04 | N03 | C02 | O26 | 158.6° | 179.7° |
| N03 | C04 | C05 | H2 | 45.6° | 60.0° |
| N03 | C04 | C05 | H3 | 72.8° | 60.0° |
| N03 | C04 | C09 | H9 | 72.6° | 60.0° |
| N03 | C04 | C09 | H10 | 46.0° | 60.0° |
| N03 | C02 | O01 | O26 | 179.8° | 179.7° |
| N03 | C02 | O26 | C27 | 102.6° | 179.7° |
| C02 | N03 | C04 | H1 | 66.9° | 35.0° |
| O01 | C02 | O26 | C27 | 77.5° | 0.0° |
| O01 | C02 | N03 | H35 | 158.8° | 180.0° |
| C02 | O26 | C27 | C30 | 50.5° | 180.0° |
| C02 | O26 | C27 | C28 | 170.2° | 60.0° |
| C02 | O26 | C27 | C29 | 70.3° | 60.0° |
| O26 | C02 | N03 | H35 | 21.3° | 0.3° |
| C30 | C27 | O26 | C28 | 119.7° | 120.0° |
| C30 | C27 | O26 | C29 | 120.9° | 120.0° |
| C30 | C27 | C28 | C29 | 120.0° | 120.0° |
| C30 | C27 | C28 | H26 | 180.0° | 180.0° |
| C30 | C27 | C28 | H27 | 60.0° | 59.9° |
| C30 | C27 | C28 | H28 | 60.0° | 60.0° |
| C30 | C27 | C29 | H29 | 180.0° | 60.0° |
| C30 | C27 | C29 | H30 | 60.0° | 60.0° |
| C30 | C27 | C29 | H31 | 60.0° | 180.0° |
| C27 | C30 | H32 | H33 | 120.0° | 120.1° |
| C27 | C30 | H32 | H34 | 120.0° | 119.9° |
| C27 | C30 | H33 | H34 | 120.0° | 120.0° |
| O26 | C27 | C28 | C29 | 119.7° | 120.0° |
| O26 | C27 | C28 | H26 | 59.7° | 60.1° |
| O26 | C27 | C28 | H27 | 60.3° | 60.0° |
| O26 | C27 | C28 | H28 | 179.7° | 180.0° |
| O26 | C27 | C29 | H29 | 58.9° | 180.0° |
| O26 | C27 | C29 | H30 | 179.0° | 60.0° |
| O26 | C27 | C29 | H31 | 61.0° | 60.0° |
| O26 | C27 | C30 | H32 | 180.0° | 60.1° |
| O26 | C27 | C30 | H33 | 60.0° | 60.0° |
| O26 | C27 | C30 | H34 | 60.0° | 180.0° |
| C27 | C28 | H26 | H27 | 120.0° | 120.0° |
| C27 | C28 | H26 | H28 | 120.0° | 119.9° |
| C27 | C28 | H27 | H28 | 119.9° | 119.9° |
| C28 | C27 | C29 | H29 | 60.4° | 60.0° |
| C28 | C27 | C29 | H30 | 59.6° | 180.0° |
| C28 | C27 | C29 | H31 | 179.6° | 60.0° |
| C28 | C27 | C30 | H32 | 60.4° | 59.9° |
| C28 | C27 | C30 | H33 | 59.6° | 180.0° |
| C28 | C27 | C30 | H34 | 179.6° | 60.0° |
| C29 | C27 | C28 | H26 | 60.0° | 59.9° |
| C29 | C27 | C28 | H27 | 180.0° | 180.0° |
| C29 | C27 | C28 | H28 | 60.1° | 60.0° |
| C27 | C29 | H29 | H30 | 120.0° | 120.0° |
| C27 | C29 | H29 | H31 | 120.0° | 120.0° |
| C27 | C29 | H30 | H31 | 120.0° | 120.0° |
| C29 | C27 | C30 | H32 | 59.3° | 180.0° |
| C29 | C27 | C30 | H33 | 179.3° | 60.0° |
| C29 | C27 | C30 | H34 | 60.7° | 60.0° |
| H1 | C04 | C05 | H2 | 165.7° | 60.0° |
| H1 | C04 | C05 | H3 | 47.3° | 180.0° |
| H1 | C04 | C09 | H9 | 47.8° | 180.0° |
| H1 | C04 | C09 | H10 | 166.5° | 60.0° |
| H1 | C04 | N03 | H35 | 113.1° | 145.0° |
| H2 | C05 | C06 | H4 | 53.7° | 60.1° |
| H2 | C05 | C06 | H5 | 173.7° | 60.0° |
| H3 | C05 | C06 | H4 | 64.7° | 180.0° |
| H3 | C05 | C06 | H5 | 55.3° | 59.9° |
| H4 | C06 | C07 | H6 | 61.4° | 180.0° |
| H5 | C06 | C07 | H6 | 178.5° | 60.0° |
| H6 | C07 | C08 | H7 | 177.4° | 180.0° |
| H6 | C07 | C08 | H8 | 62.6° | 60.0° |
| H6 | C07 | C10 | H11 | 102.4° | 175.0° |
| H6 | C07 | C10 | H12 | 137.3° | 65.0° |
| H7 | C08 | C09 | H9 | 56.9° | 180.0° |
| H7 | C08 | C09 | H10 | 175.6° | 60.0° |
| H8 | C08 | C09 | H9 | 63.1° | 60.1° |
| H8 | C08 | C09 | H10 | 55.5° | 60.0° |
| H11 | C10 | C11 | H13 | 174.7° | 180.0° |
| H11 | C10 | C11 | H14 | 65.3° | 60.0° |
| H12 | C10 | C11 | H13 | 54.5° | 60.1° |
| H12 | C10 | C11 | H14 | 174.4° | 180.0° |
| H15 | C13 | C14 | H17 | 32.9° | 178.5° |
| H15 | C13 | C14 | H18 | 151.2° | 58.4° |
| H16 | C13 | C14 | H17 | 86.0° | 58.4° |
| H16 | C13 | C14 | H18 | 32.3° | 61.6° |
| H19 | C20 | C21 | H20 | 0.1° | 0.3° |
| H20 | C21 | C22 | H21 | 0.1° | 0.5° |
| H22 | C24 | C25 | H24 | 61.6° | 61.6° |
| H22 | C24 | C25 | H25 | 177.5° | 58.4° |
| H23 | C24 | C25 | H24 | 58.3° | 58.4° |
| H23 | C24 | C25 | H25 | 62.7° | 178.4° |
| H26 | C28 | H27 | H28 | 120.0° | 120.0° |
| H29 | C29 | H30 | H31 | 119.9° | 120.0° |
| H32 | C30 | H33 | H34 | 120.0° | 120.0° |
