SDJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | C2 | sing | 1.47Å | 1.45Å | |
| N | C3 | sing | 1.40Å | 1.35Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C4 | C3 | doub | 1.39Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| O | C | doub | 1.21Å | 1.21Å | |
| C1 | C | sing | 1.51Å | 1.51Å | |
| C3 | C8 | sing | 1.39Å | 1.40Å | Aromatic |
| C | N1 | sing | 1.35Å | 1.34Å | |
| C5 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| N1 | C17 | sing | 1.47Å | 1.47Å | |
| N1 | C9 | sing | 1.47Å | 1.46Å | |
| C10 | C9 | sing | 1.52Å | 1.52Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C10 | C15 | sing | 1.53Å | 1.50Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C16 | C15 | sing | 1.53Å | 1.52Å | |
| C14 | C13 | sing | 1.53Å | 1.51Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C12 | C11 | sing | 1.53Å | 1.52Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| C8 | C7 | doub | 1.38Å | 1.40Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| N3 | C23 | sing | 1.34Å | 1.35Å | Aromatic |
| N3 | C24 | doub | 1.30Å | 1.33Å | Aromatic |
| C23 | C22 | doub | 1.35Å | 1.37Å | Aromatic |
| C18 | N2 | sing | 1.47Å | 1.45Å | |
| C24 | N4 | sing | 1.35Å | 1.33Å | Aromatic |
| N2 | C19 | sing | 1.47Å | 1.47Å | |
| C22 | N4 | sing | 1.37Å | 1.33Å | Aromatic |
| C22 | C21 | sing | 1.51Å | 1.49Å | |
| C19 | C21 | sing | 1.53Å | 1.51Å | |
| C19 | C20 | sing | 1.51Å | 1.53Å | |
| C20 | O1 | doub | 1.21Å | 1.21Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| N | H3 | sing | 0.97Å | 1.00Å | |
| C20 | H4 | sing | 1.08Å | 1.08Å | |
| C19 | H5 | sing | 1.09Å | 1.10Å | |
| C21 | H6 | sing | 1.09Å | 1.10Å | |
| C21 | H7 | sing | 1.09Å | 1.10Å | |
| N4 | H8 | sing | 0.97Å | 1.00Å | |
| C24 | H9 | sing | 1.08Å | 1.08Å | |
| C23 | H11 | sing | 1.08Å | 1.08Å | |
| N2 | H12 | sing | 1.01Å | 1.00Å | |
| C18 | H14 | sing | 1.09Å | 1.10Å | |
| C18 | H15 | sing | 1.09Å | 1.10Å | |
| C17 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| C13 | H22 | sing | 1.09Å | 1.10Å | |
| C13 | H23 | sing | 1.09Å | 1.10Å | |
| C12 | H24 | sing | 1.09Å | 1.10Å | |
| C12 | H25 | sing | 1.09Å | 1.10Å | |
| C11 | H26 | sing | 1.09Å | 1.10Å | |
| C11 | H27 | sing | 1.09Å | 1.10Å | |
| C10 | H28 | sing | 1.09Å | 1.10Å | |
| C9 | H29 | sing | 1.09Å | 1.10Å | |
| C9 | H30 | sing | 1.09Å | 1.10Å | |
| C2 | H31 | sing | 1.09Å | 1.10Å | |
| C2 | H32 | sing | 1.09Å | 1.10Å | |
| C8 | H33 | sing | 1.08Å | 1.08Å | |
| C7 | H34 | sing | 1.08Å | 1.08Å | |
| C6 | H35 | sing | 1.08Å | 1.08Å | |
| C5 | H36 | sing | 1.08Å | 1.08Å | |
| C4 | H37 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N | C3 | 123.3° | 120.0° |
| N | C2 | C1 | 112.5° | 109.4° |
| C2 | N | H3 | 105.9° | 120.0° |
| N | C2 | H31 | 108.7° | 109.5° |
| N | C2 | H32 | 108.7° | 109.5° |
| N | C3 | C4 | 119.3° | 120.1° |
| N | C3 | C8 | 121.8° | 120.0° |
| C3 | N | H3 | 105.9° | 120.0° |
| C2 | C1 | C | 115.4° | 109.5° |
| C2 | C1 | H1 | 108.0° | 109.5° |
| C2 | C1 | H2 | 108.0° | 109.5° |
| C1 | C2 | H31 | 108.7° | 109.5° |
| C1 | C2 | H32 | 108.7° | 109.4° |
| C3 | C4 | C5 | 121.0° | 119.9° |
| C4 | C3 | C8 | 118.9° | 119.8° |
| C3 | C4 | H37 | 119.5° | 120.0° |
| C4 | C5 | C6 | 120.2° | 120.1° |
| C4 | C5 | H36 | 119.9° | 119.9° |
| C5 | C4 | H37 | 119.5° | 120.1° |
| O | C | C1 | 120.9° | 120.0° |
| O | C | N1 | 123.2° | 120.0° |
| C1 | C | N1 | 115.9° | 120.0° |
| C | C1 | H1 | 108.0° | 109.5° |
| C | C1 | H2 | 108.0° | 109.4° |
| C3 | C8 | C7 | 120.5° | 119.9° |
| C3 | C8 | H33 | 119.7° | 120.0° |
| C | N1 | C17 | 118.1° | 120.6° |
| C | N1 | C9 | 124.8° | 120.7° |
| C5 | C6 | C7 | 120.5° | 120.1° |
| C5 | C6 | H35 | 119.7° | 119.9° |
| C6 | C5 | H36 | 119.9° | 120.0° |
| C17 | N1 | C9 | 117.1° | 118.7° |
| N1 | C17 | C16 | 110.9° | 108.7° |
| N1 | C17 | C18 | 106.9° | 109.6° |
| N1 | C17 | H16 | 108.9° | 109.6° |
| N1 | C9 | C10 | 111.6° | 109.1° |
| N1 | C9 | H29 | 108.9° | 109.5° |
| N1 | C9 | H30 | 108.9° | 109.6° |
| C9 | C10 | C11 | 109.4° | 109.3° |
| C9 | C10 | C15 | 111.8° | 109.6° |
| C9 | C10 | H28 | 108.4° | 109.6° |
| C10 | C9 | H29 | 108.9° | 109.5° |
| C10 | C9 | H30 | 108.9° | 109.4° |
| C11 | C10 | C15 | 110.0° | 109.5° |
| C10 | C11 | C12 | 110.9° | 109.6° |
| C10 | C11 | H26 | 109.1° | 109.4° |
| C10 | C11 | H27 | 109.1° | 109.4° |
| C11 | C10 | H28 | 108.4° | 109.5° |
| C10 | C15 | C16 | 109.3° | 109.5° |
| C10 | C15 | C14 | 109.0° | 109.7° |
| C10 | C15 | H19 | 109.9° | 109.5° |
| C15 | C10 | H28 | 108.7° | 109.4° |
| C17 | C16 | C15 | 116.2° | 109.4° |
| C16 | C17 | C18 | 113.5° | 109.6° |
| C16 | C17 | H16 | 108.1° | 109.7° |
| C17 | C16 | H17 | 107.8° | 109.5° |
| C17 | C16 | H18 | 107.8° | 109.5° |
| C16 | C15 | C14 | 109.7° | 109.2° |
| C15 | C16 | H17 | 107.8° | 109.5° |
| C15 | C16 | H18 | 107.8° | 109.5° |
| C16 | C15 | H19 | 109.6° | 109.5° |
| C13 | C14 | C15 | 111.2° | 109.6° |
| C14 | C13 | C12 | 114.0° | 109.5° |
| C13 | C14 | H20 | 109.1° | 109.5° |
| C13 | C14 | H21 | 109.1° | 109.4° |
| C14 | C13 | H22 | 108.3° | 109.5° |
| C14 | C13 | H23 | 108.3° | 109.5° |
| C14 | C15 | H19 | 109.4° | 109.5° |
| C15 | C14 | H20 | 109.0° | 109.5° |
| C15 | C14 | H21 | 109.0° | 109.4° |
| C11 | C12 | C13 | 111.9° | 109.4° |
| C11 | C12 | H24 | 108.9° | 109.4° |
| C11 | C12 | H25 | 108.8° | 109.5° |
| C12 | C11 | H26 | 109.1° | 109.5° |
| C12 | C11 | H27 | 109.1° | 109.4° |
| C12 | C13 | H22 | 108.3° | 109.5° |
| C12 | C13 | H23 | 108.3° | 109.4° |
| C13 | C12 | H24 | 108.9° | 109.6° |
| C13 | C12 | H25 | 108.8° | 109.5° |
| C17 | C18 | N2 | 111.3° | 109.5° |
| C17 | C18 | H14 | 109.0° | 109.5° |
| C17 | C18 | H15 | 109.0° | 109.4° |
| C18 | C17 | H16 | 108.3° | 109.6° |
| C8 | C7 | C6 | 118.9° | 120.1° |
| C7 | C8 | H33 | 119.7° | 120.0° |
| C8 | C7 | H34 | 120.6° | 119.9° |
| C6 | C7 | H34 | 120.6° | 119.9° |
| C7 | C6 | H35 | 119.8° | 120.0° |
| C23 | N3 | C24 | 107.5° | 109.3° |
| N3 | C23 | C22 | 107.9° | 107.9° |
| N3 | C23 | H11 | 126.1° | 126.0° |
| N3 | C24 | N4 | 108.9° | 108.7° |
| N3 | C24 | H9 | 125.6° | 125.7° |
| C23 | C22 | N4 | 107.0° | 106.9° |
| C23 | C22 | C21 | 129.1° | 126.5° |
| C22 | C23 | H11 | 126.1° | 126.0° |
| C18 | N2 | C19 | 109.2° | 111.0° |
| C18 | N2 | H12 | 109.5° | 111.0° |
| N2 | C18 | H14 | 109.0° | 109.5° |
| N2 | C18 | H15 | 109.0° | 109.5° |
| C24 | N4 | C22 | 108.7° | 107.2° |
| C24 | N4 | H8 | 125.6° | 126.4° |
| N4 | C24 | H9 | 125.6° | 125.6° |
| N2 | C19 | C21 | 108.9° | 109.4° |
| N2 | C19 | C20 | 112.3° | 109.4° |
| N2 | C19 | H5 | 109.0° | 109.5° |
| C19 | N2 | H12 | 109.5° | 111.0° |
| N4 | C22 | C21 | 123.8° | 126.6° |
| C22 | N4 | H8 | 125.6° | 126.4° |
| C22 | C21 | C19 | 117.2° | 109.5° |
| C22 | C21 | H6 | 107.5° | 109.5° |
| C22 | C21 | H7 | 107.5° | 109.5° |
| C21 | C19 | C20 | 110.0° | 109.5° |
| C21 | C19 | H5 | 108.4° | 109.5° |
| C19 | C21 | H6 | 107.5° | 109.5° |
| C19 | C21 | H7 | 107.5° | 109.4° |
| C19 | C20 | O1 | 123.0° | 120.0° |
| C19 | C20 | H4 | 118.5° | 120.0° |
| C20 | C19 | H5 | 108.1° | 109.5° |
| O1 | C20 | H4 | 118.5° | 120.0° |
| H1 | C1 | H2 | 109.4° | 109.5° |
| H6 | C21 | H7 | 109.5° | 109.5° |
| H14 | C18 | H15 | 109.4° | 109.5° |
| H17 | C16 | H18 | 109.5° | 109.5° |
| H20 | C14 | H21 | 109.5° | 109.5° |
| H22 | C13 | H23 | 109.5° | 109.5° |
| H24 | C12 | H25 | 109.5° | 109.5° |
| H26 | C11 | H27 | 109.4° | 109.5° |
| H29 | C9 | H30 | 109.5° | 109.6° |
| H31 | C2 | H32 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N | C3 | H3 | 121.9° | 180.0° |
| N | C2 | C1 | H31 | 120.4° | 120.0° |
| N | C2 | C1 | H32 | 120.5° | 119.9° |
| C2 | N | C3 | C4 | 152.3° | 0.3° |
| N | C2 | C1 | C | 173.7° | 180.0° |
| C2 | N | C3 | C8 | 26.8° | 180.0° |
| N | C2 | C1 | H1 | 65.4° | 60.0° |
| N | C2 | C1 | H2 | 52.8° | 60.1° |
| N | C2 | H31 | H32 | 118.7° | 120.0° |
| C3 | N | C2 | C1 | 46.3° | 179.9° |
| N | C3 | C4 | C8 | 179.1° | 179.6° |
| N | C3 | C4 | C5 | 179.5° | 179.8° |
| N | C3 | C8 | C7 | 178.5° | 180.0° |
| C3 | N | C2 | H31 | 74.1° | 60.0° |
| C3 | N | C2 | H32 | 166.8° | 60.0° |
| N | C3 | C8 | H33 | 1.5° | 0.1° |
| N | C3 | C4 | H37 | 0.5° | 0.1° |
| C2 | C1 | C | O | 14.3° | 0.1° |
| C2 | C1 | C | H1 | 120.9° | 120.1° |
| C2 | C1 | C | H2 | 120.9° | 120.0° |
| C2 | C1 | C | N1 | 168.3° | 179.7° |
| C2 | C1 | H1 | H2 | 117.3° | 120.0° |
| C1 | C2 | N | H3 | 75.6° | 0.0° |
| C1 | C2 | H31 | H32 | 118.6° | 120.0° |
| C3 | C4 | C5 | H37 | 180.0° | 179.7° |
| C3 | C4 | C5 | C6 | 1.3° | 0.6° |
| C4 | C3 | C8 | C7 | 0.6° | 0.3° |
| C4 | C3 | N | H3 | 30.4° | 179.7° |
| C4 | C3 | C8 | H33 | 179.4° | 179.7° |
| C3 | C4 | C5 | H36 | 178.7° | 179.7° |
| C5 | C4 | C3 | C8 | 0.4° | 0.6° |
| C4 | C5 | C6 | H36 | 180.0° | 179.7° |
| C4 | C5 | C6 | C7 | 1.2° | 0.4° |
| C4 | C5 | C6 | H35 | 178.8° | 179.8° |
| O | C | C1 | N1 | 177.4° | 179.8° |
| O | C | N1 | C17 | 6.1° | 0.0° |
| O | C | N1 | C9 | 176.1° | 179.7° |
| O | C | C1 | H1 | 106.6° | 120.0° |
| O | C | C1 | H2 | 135.2° | 120.1° |
| C1 | C | N1 | C17 | 176.6° | 179.8° |
| C1 | C | N1 | C9 | 1.2° | 0.0° |
| C | C1 | H1 | H2 | 117.3° | 119.9° |
| C | C1 | C2 | H31 | 53.3° | 60.0° |
| C | C1 | C2 | H32 | 65.8° | 60.1° |
| C3 | C8 | C7 | H33 | 180.0° | 179.9° |
| C3 | C8 | C7 | C6 | 0.7° | 0.1° |
| C8 | C3 | N | H3 | 148.6° | 0.0° |
| C3 | C8 | C7 | H34 | 179.3° | 180.0° |
| C8 | C3 | C4 | H37 | 179.6° | 179.7° |
| C | N1 | C17 | C9 | 178.0° | 179.7° |
| C | N1 | C9 | C10 | 130.8° | 126.4° |
| C | N1 | C17 | C16 | 137.6° | 126.2° |
| C | N1 | C17 | C18 | 98.1° | 114.0° |
| N1 | C | C1 | H1 | 70.8° | 60.2° |
| N1 | C | C1 | H2 | 47.4° | 59.7° |
| C | N1 | C17 | H16 | 18.8° | 6.3° |
| C | N1 | C9 | H29 | 10.5° | 6.5° |
| C | N1 | C9 | H30 | 108.9° | 113.9° |
| C5 | C6 | C7 | C8 | 0.1° | 0.1° |
| C5 | C6 | C7 | H35 | 180.0° | 179.9° |
| C5 | C6 | C7 | H34 | 179.9° | 180.0° |
| C6 | C5 | C4 | H37 | 178.7° | 179.7° |
| C17 | N1 | C9 | C10 | 51.3° | 53.3° |
| N1 | C17 | C16 | C18 | 120.4° | 119.7° |
| N1 | C17 | C16 | H16 | 119.3° | 119.8° |
| N1 | C17 | C16 | C15 | 44.1° | 54.8° |
| N1 | C17 | C18 | H16 | 117.2° | 120.3° |
| N1 | C17 | C18 | N2 | 176.9° | 55.0° |
| N1 | C17 | C18 | H14 | 62.8° | 64.9° |
| N1 | C17 | C18 | H15 | 56.6° | 175.0° |
| N1 | C17 | C16 | H17 | 165.1° | 174.7° |
| N1 | C17 | C16 | H18 | 76.8° | 65.2° |
| C17 | N1 | C9 | H29 | 171.7° | 173.3° |
| C17 | N1 | C9 | H30 | 69.0° | 66.4° |
| N1 | C9 | C10 | H29 | 120.3° | 119.9° |
| N1 | C9 | C10 | H30 | 120.3° | 119.9° |
| N1 | C9 | C10 | C11 | 178.3° | 174.2° |
| N1 | C9 | C10 | C15 | 56.2° | 54.2° |
| C9 | N1 | C17 | C16 | 44.4° | 53.5° |
| C9 | N1 | C17 | C18 | 79.9° | 66.2° |
| C9 | N1 | C17 | H16 | 163.2° | 173.4° |
| N1 | C9 | C10 | H28 | 63.6° | 65.8° |
| N1 | C9 | H29 | H30 | 119.0° | 120.3° |
| C9 | C10 | C11 | C15 | 123.2° | 120.0° |
| C9 | C10 | C11 | H28 | 118.1° | 120.1° |
| C9 | C10 | C15 | H28 | 119.7° | 120.1° |
| C9 | C10 | C15 | C16 | 55.2° | 60.9° |
| C9 | C10 | C15 | C14 | 175.1° | 179.3° |
| C9 | C10 | C11 | C12 | 176.1° | 179.7° |
| C9 | C10 | C15 | H19 | 65.1° | 59.2° |
| C9 | C10 | C11 | H26 | 55.9° | 59.7° |
| C9 | C10 | C11 | H27 | 63.6° | 60.3° |
| C10 | C9 | H29 | H30 | 119.0° | 120.0° |
| C11 | C10 | C15 | H28 | 118.6° | 120.0° |
| C11 | C10 | C15 | C16 | 176.9° | 179.2° |
| C11 | C10 | C15 | C14 | 63.2° | 59.5° |
| C10 | C11 | C12 | H26 | 120.2° | 120.0° |
| C10 | C11 | C12 | H27 | 120.2° | 120.0° |
| C10 | C11 | C12 | C13 | 51.4° | 60.0° |
| C11 | C10 | C15 | H19 | 56.7° | 60.7° |
| C10 | C11 | C12 | H24 | 69.0° | 179.9° |
| C10 | C11 | C12 | H25 | 171.7° | 59.9° |
| C10 | C11 | H26 | H27 | 119.3° | 119.9° |
| C11 | C10 | C9 | H29 | 61.3° | 65.9° |
| C11 | C10 | C9 | H30 | 58.0° | 54.3° |
| C10 | C15 | C16 | C17 | 50.5° | 61.2° |
| C10 | C15 | C16 | C14 | 119.4° | 120.1° |
| C10 | C15 | C16 | H19 | 120.5° | 120.1° |
| C10 | C15 | C14 | C13 | 57.7° | 59.7° |
| C10 | C15 | C14 | H19 | 120.1° | 120.1° |
| C15 | C10 | C11 | C12 | 60.7° | 59.7° |
| C10 | C15 | C16 | H17 | 171.5° | 178.8° |
| C10 | C15 | C16 | H18 | 70.5° | 58.8° |
| C10 | C15 | C14 | H20 | 62.6° | 179.8° |
| C10 | C15 | C14 | H21 | 178.0° | 60.2° |
| C15 | C10 | C11 | H26 | 179.1° | 60.4° |
| C15 | C10 | C11 | H27 | 59.5° | 179.7° |
| C15 | C10 | C9 | H29 | 176.6° | 174.2° |
| C15 | C10 | C9 | H30 | 64.1° | 65.6° |
| C17 | C16 | C15 | H17 | 121.0° | 120.0° |
| C17 | C16 | C15 | H18 | 121.0° | 120.0° |
| C17 | C16 | C15 | C14 | 169.9° | 178.7° |
| C16 | C17 | C18 | H16 | 120.1° | 120.5° |
| C16 | C17 | C18 | N2 | 60.4° | 174.2° |
| C16 | C17 | C18 | H14 | 59.9° | 54.2° |
| C16 | C17 | C18 | H15 | 179.3° | 65.8° |
| C17 | C16 | H17 | H18 | 116.9° | 120.0° |
| C17 | C16 | C15 | H19 | 70.0° | 58.9° |
| C16 | C15 | C14 | C13 | 177.3° | 179.7° |
| C16 | C15 | C14 | H19 | 120.2° | 119.9° |
| C15 | C16 | C17 | C18 | 76.3° | 65.0° |
| C15 | C16 | C17 | H16 | 163.5° | 174.6° |
| C15 | C16 | H17 | H18 | 116.9° | 120.0° |
| C16 | C15 | C14 | H20 | 57.1° | 60.2° |
| C16 | C15 | C14 | H21 | 62.4° | 59.8° |
| C16 | C15 | C10 | H28 | 64.5° | 59.2° |
| C13 | C14 | C15 | H20 | 120.3° | 120.1° |
| C13 | C14 | C15 | H21 | 120.3° | 119.9° |
| C14 | C13 | C12 | C11 | 47.1° | 60.2° |
| C14 | C13 | C12 | H22 | 120.7° | 120.0° |
| C14 | C13 | C12 | H23 | 120.7° | 120.0° |
| C13 | C14 | C15 | H19 | 62.4° | 60.4° |
| C13 | C14 | H20 | H21 | 119.2° | 119.9° |
| C14 | C13 | H22 | H23 | 117.9° | 120.0° |
| C14 | C13 | C12 | H24 | 73.3° | 179.9° |
| C14 | C13 | C12 | H25 | 167.4° | 59.8° |
| C15 | C14 | C13 | C12 | 50.1° | 60.1° |
| C14 | C15 | C16 | H17 | 69.1° | 58.8° |
| C14 | C15 | C16 | H18 | 48.9° | 61.3° |
| C15 | C14 | H20 | H21 | 119.2° | 119.9° |
| C15 | C14 | C13 | H22 | 70.6° | 60.0° |
| C15 | C14 | C13 | H23 | 170.8° | 180.0° |
| C14 | C15 | C10 | H28 | 55.4° | 60.6° |
| C11 | C12 | C13 | H24 | 120.4° | 120.0° |
| C11 | C12 | C13 | H25 | 120.3° | 119.9° |
| C11 | C12 | C13 | H22 | 73.6° | 59.8° |
| C11 | C12 | C13 | H23 | 167.7° | 179.8° |
| C11 | C12 | H24 | H25 | 118.9° | 120.0° |
| C12 | C11 | H26 | H27 | 119.3° | 119.9° |
| C12 | C11 | C10 | H28 | 58.0° | 60.3° |
| C12 | C13 | C14 | H20 | 70.1° | 179.8° |
| C12 | C13 | C14 | H21 | 170.4° | 59.9° |
| C12 | C13 | H22 | H23 | 117.9° | 120.0° |
| C13 | C12 | H24 | H25 | 118.9° | 120.1° |
| C13 | C12 | C11 | H26 | 171.6° | 59.9° |
| C13 | C12 | C11 | H27 | 68.9° | 179.9° |
| C17 | C18 | N2 | H14 | 120.3° | 120.0° |
| C17 | C18 | N2 | H15 | 120.3° | 120.0° |
| C17 | C18 | N2 | C19 | 145.4° | 180.0° |
| C17 | C18 | N2 | H12 | 25.4° | 56.1° |
| C17 | C18 | H14 | H15 | 119.2° | 120.0° |
| C18 | C17 | C16 | H17 | 44.7° | 55.0° |
| C18 | C17 | C16 | H18 | 162.7° | 175.1° |
| C8 | C7 | C6 | H34 | 180.0° | 179.9° |
| C8 | C7 | C6 | H35 | 179.9° | 180.0° |
| C6 | C7 | C8 | H33 | 179.3° | 180.0° |
| C7 | C6 | C5 | H36 | 178.8° | 180.0° |
| N3 | C23 | C22 | H11 | 180.0° | 179.6° |
| C23 | N3 | C24 | N4 | 0.3° | 0.2° |
| N3 | C23 | C22 | N4 | 0.1° | 0.4° |
| N3 | C23 | C22 | C21 | 178.5° | 179.9° |
| C23 | N3 | C24 | H9 | 179.7° | 179.8° |
| C24 | N3 | C23 | C22 | 0.2° | 0.4° |
| N3 | C24 | N4 | H9 | 180.0° | 179.9° |
| N3 | C24 | N4 | C22 | 0.3° | 0.0° |
| N3 | C24 | N4 | H8 | 179.7° | 179.9° |
| C24 | N3 | C23 | H11 | 179.8° | 180.0° |
| C23 | C22 | N4 | C24 | 0.1° | 0.3° |
| C23 | C22 | N4 | C21 | 178.6° | 179.7° |
| C23 | C22 | C21 | C19 | 3.5° | 85.3° |
| C23 | C22 | C21 | H6 | 117.6° | 154.7° |
| C23 | C22 | C21 | H7 | 124.6° | 34.7° |
| C23 | C22 | N4 | H8 | 179.9° | 179.8° |
| C18 | N2 | C19 | H12 | 120.0° | 123.9° |
| C18 | N2 | C19 | C21 | 173.9° | 155.0° |
| C18 | N2 | C19 | C20 | 63.9° | 85.0° |
| C18 | N2 | C19 | H5 | 55.9° | 35.0° |
| N2 | C18 | H14 | H15 | 119.1° | 120.0° |
| N2 | C18 | C17 | H16 | 59.7° | 65.3° |
| C24 | N4 | C22 | H8 | 180.0° | 179.9° |
| C24 | N4 | C22 | C21 | 178.5° | 180.0° |
| N2 | C19 | C21 | C22 | 92.5° | 65.0° |
| N2 | C19 | C21 | C20 | 123.5° | 119.9° |
| N2 | C19 | C21 | H5 | 118.4° | 120.0° |
| N2 | C19 | C20 | H5 | 120.3° | 120.1° |
| N2 | C19 | C20 | O1 | 174.4° | 0.0° |
| N2 | C19 | C20 | H4 | 5.7° | 180.0° |
| N2 | C19 | C21 | H6 | 146.4° | 55.0° |
| N2 | C19 | C21 | H7 | 28.6° | 175.0° |
| C19 | N2 | C18 | H14 | 94.3° | 60.0° |
| C19 | N2 | C18 | H15 | 25.1° | 60.0° |
| N4 | C22 | C21 | C19 | 178.3° | 95.0° |
| N4 | C22 | C21 | H6 | 60.6° | 25.0° |
| N4 | C22 | C21 | H7 | 57.2° | 145.0° |
| C22 | N4 | C24 | H9 | 179.8° | 179.9° |
| N4 | C22 | C23 | H11 | 180.0° | 180.0° |
| C22 | C21 | C19 | H6 | 121.1° | 120.0° |
| C22 | C21 | C19 | H7 | 121.1° | 120.0° |
| C22 | C21 | C19 | C20 | 144.0° | 175.0° |
| C22 | C21 | C19 | H5 | 26.0° | 55.0° |
| C22 | C21 | H6 | H7 | 116.5° | 120.0° |
| C21 | C22 | N4 | H8 | 1.6° | 0.1° |
| C21 | C22 | C23 | H11 | 1.5° | 0.3° |
| C21 | C19 | C20 | H5 | 118.2° | 120.0° |
| C21 | C19 | C20 | O1 | 64.1° | 120.0° |
| C21 | C19 | C20 | H4 | 115.9° | 60.1° |
| C19 | C21 | H6 | H7 | 116.5° | 120.0° |
| C21 | C19 | N2 | H12 | 53.9° | 31.1° |
| C19 | C20 | O1 | H4 | 180.0° | 179.9° |
| C20 | C19 | C21 | H6 | 22.9° | 64.9° |
| C20 | C19 | C21 | H7 | 94.9° | 55.0° |
| C20 | C19 | N2 | H12 | 176.1° | 151.0° |
| O1 | C20 | C19 | H5 | 54.1° | 120.0° |
| H1 | C1 | C2 | H31 | 174.2° | 180.0° |
| H1 | C1 | C2 | H32 | 55.1° | 60.0° |
| H2 | C1 | C2 | H31 | 67.6° | 59.9° |
| H2 | C1 | C2 | H32 | 173.3° | 180.0° |
| H3 | N | C2 | H31 | 164.0° | 120.0° |
| H3 | N | C2 | H32 | 44.9° | 120.0° |
| H4 | C20 | C19 | H5 | 126.0° | 59.9° |
| H5 | C19 | C21 | H6 | 95.1° | 175.0° |
| H5 | C19 | C21 | H7 | 147.1° | 65.0° |
| H5 | C19 | N2 | H12 | 64.1° | 88.9° |
| H8 | N4 | C24 | H9 | 0.3° | 0.0° |
| H12 | N2 | C18 | H14 | 145.7° | 63.9° |
| H12 | N2 | C18 | H15 | 94.9° | 176.0° |
| H14 | C18 | C17 | H16 | 180.0° | 174.7° |
| H15 | C18 | C17 | H16 | 60.6° | 54.7° |
| H16 | C17 | C16 | H17 | 75.5° | 65.4° |
| H16 | C17 | C16 | H18 | 42.5° | 54.6° |
| H17 | C16 | C15 | H19 | 51.0° | 61.1° |
| H18 | C16 | C15 | H19 | 169.0° | 178.8° |
| H19 | C15 | C14 | H20 | 177.3° | 59.7° |
| H19 | C15 | C14 | H21 | 57.8° | 179.7° |
| H19 | C15 | C10 | H28 | 175.2° | 179.3° |
| H20 | C14 | C13 | H22 | 169.2° | 60.1° |
| H20 | C14 | C13 | H23 | 50.5° | 59.9° |
| H21 | C14 | C13 | H22 | 49.7° | 179.9° |
| H21 | C14 | C13 | H23 | 69.0° | 60.1° |
| H22 | C13 | C12 | H24 | 166.0° | 60.1° |
| H22 | C13 | C12 | H25 | 46.7° | 179.8° |
| H23 | C13 | C12 | H24 | 47.4° | 59.8° |
| H23 | C13 | C12 | H25 | 71.9° | 60.3° |
| H24 | C12 | C11 | H26 | 51.2° | 60.1° |
| H24 | C12 | C11 | H27 | 170.8° | 59.8° |
| H25 | C12 | C11 | H26 | 68.1° | 179.9° |
| H25 | C12 | C11 | H27 | 51.5° | 60.1° |
| H26 | C11 | C10 | H28 | 62.2° | 179.7° |
| H27 | C11 | C10 | H28 | 178.3° | 59.8° |
| H28 | C10 | C9 | H29 | 56.8° | 54.2° |
| H28 | C10 | C9 | H30 | 176.1° | 174.4° |
| H33 | C8 | C7 | H34 | 0.7° | 0.1° |
| H34 | C7 | C6 | H35 | 0.1° | 0.1° |
| H35 | C6 | C5 | H36 | 1.2° | 0.1° |
| H36 | C5 | C4 | H37 | 1.3° | 0.1° |
