K3R
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N6 | N2 | sing | 1.40Å | 1.40Å | Aromatic |
| N6 | C5 | doub | 1.31Å | 1.33Å | Aromatic |
| C1 | N2 | sing | 1.46Å | 1.46Å | |
| N2 | C3 | sing | 1.35Å | 1.35Å | Aromatic |
| C5 | C4 | sing | 1.41Å | 1.42Å | Aromatic |
| C3 | C4 | doub | 1.36Å | 1.37Å | Aromatic |
| C4 | C7 | sing | 1.48Å | 1.50Å | |
| C7 | C38 | doub | 1.39Å | 1.41Å | Aromatic |
| C7 | C8 | sing | 1.39Å | 1.40Å | Aromatic |
| C38 | C37 | sing | 1.38Å | 1.40Å | Aromatic |
| C8 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C37 | C10 | doub | 1.38Å | 1.40Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.51Å | 1.52Å | |
| C31 | C30 | sing | 1.54Å | 1.56Å | |
| C31 | C32 | sing | 1.55Å | 1.56Å | |
| C27 | C26 | sing | 1.53Å | 1.53Å | |
| C27 | C28 | sing | 1.53Å | 1.53Å | |
| C30 | N29 | sing | 1.47Å | 1.49Å | |
| N29 | C33 | sing | 1.48Å | 1.48Å | |
| N29 | C28 | sing | 1.47Å | 1.48Å | |
| N21 | C20 | sing | 1.33Å | 1.33Å | Aromatic |
| N21 | C22 | doub | 1.33Å | 1.34Å | Aromatic |
| C20 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | C23 | sing | 1.41Å | 1.40Å | Aromatic |
| C22 | N36 | sing | 1.37Å | 1.38Å | Aromatic |
| C23 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | N36 | sing | 1.38Å | 1.40Å | Aromatic |
| C19 | C15 | sing | 1.47Å | 1.47Å | |
| N36 | C35 | sing | 1.36Å | 1.38Å | Aromatic |
| C26 | O25 | sing | 1.43Å | 1.44Å | |
| C24 | O25 | sing | 1.36Å | 1.37Å | |
| C24 | C34 | sing | 1.41Å | 1.41Å | Aromatic |
| C33 | C32 | sing | 1.55Å | 1.55Å | |
| N16 | C15 | doub | 1.34Å | 1.35Å | Aromatic |
| N16 | C17 | sing | 1.32Å | 1.33Å | Aromatic |
| C15 | C14 | sing | 1.40Å | 1.42Å | Aromatic |
| C35 | C34 | doub | 1.35Å | 1.36Å | Aromatic |
| C17 | N18 | doub | 1.32Å | 1.34Å | Aromatic |
| C14 | C13 | doub | 1.39Å | 1.40Å | Aromatic |
| N18 | C13 | sing | 1.33Å | 1.34Å | Aromatic |
| C13 | N12 | sing | 1.39Å | 1.40Å | |
| N12 | C11 | sing | 1.47Å | 1.48Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C8 | H6 | sing | 1.08Å | 1.08Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C17 | H9 | sing | 1.08Å | 1.08Å | |
| C23 | H10 | sing | 1.08Å | 1.08Å | |
| C27 | H11 | sing | 1.09Å | 1.10Å | |
| C27 | H12 | sing | 1.09Å | 1.10Å | |
| C30 | H13 | sing | 1.09Å | 1.10Å | |
| C30 | H14 | sing | 1.09Å | 1.10Å | |
| C31 | H15 | sing | 1.09Å | 1.10Å | |
| C31 | H16 | sing | 1.09Å | 1.10Å | |
| C32 | H17 | sing | 1.09Å | 1.10Å | |
| C32 | H18 | sing | 1.09Å | 1.10Å | |
| C33 | H19 | sing | 1.09Å | 1.10Å | |
| C33 | H20 | sing | 1.09Å | 1.10Å | |
| C34 | H21 | sing | 1.08Å | 1.08Å | |
| C35 | H22 | sing | 1.08Å | 1.08Å | |
| C37 | H23 | sing | 1.08Å | 1.08Å | |
| C38 | H24 | sing | 1.08Å | 1.08Å | |
| C9 | H25 | sing | 1.08Å | 1.08Å | |
| N12 | H26 | sing | 0.97Å | 1.00Å | |
| C14 | H27 | sing | 1.08Å | 1.08Å | |
| C20 | H28 | sing | 1.08Å | 1.08Å | |
| C26 | H29 | sing | 1.09Å | 1.10Å | |
| C26 | H30 | sing | 1.09Å | 1.10Å | |
| C28 | H31 | sing | 1.09Å | 1.10Å | |
| C28 | H32 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | N6 | C5 | 108.0° | 108.5° |
| N6 | N2 | C1 | 126.9° | 125.9° |
| N6 | N2 | C3 | 107.7° | 108.2° |
| N6 | C5 | C4 | 109.2° | 108.1° |
| N6 | C5 | H5 | 125.4° | 125.9° |
| C1 | N2 | C3 | 125.4° | 125.9° |
| N2 | C1 | H1 | 109.5° | 109.5° |
| N2 | C1 | H2 | 109.5° | 109.5° |
| N2 | C1 | H3 | 109.5° | 109.5° |
| N2 | C3 | C4 | 109.4° | 107.6° |
| N2 | C3 | H4 | 125.3° | 126.2° |
| C5 | C4 | C3 | 105.7° | 107.5° |
| C5 | C4 | C7 | 128.5° | 126.2° |
| C4 | C5 | H5 | 125.4° | 125.9° |
| C3 | C4 | C7 | 125.7° | 126.2° |
| C4 | C3 | H4 | 125.3° | 126.2° |
| C4 | C7 | C38 | 120.6° | 120.2° |
| C4 | C7 | C8 | 119.8° | 120.1° |
| C38 | C7 | C8 | 119.7° | 119.8° |
| C7 | C38 | C37 | 120.0° | 119.9° |
| C7 | C38 | H24 | 120.0° | 120.1° |
| C7 | C8 | C9 | 119.9° | 119.8° |
| C7 | C8 | H6 | 120.1° | 120.1° |
| C38 | C37 | C10 | 119.4° | 120.1° |
| C38 | C37 | H23 | 120.3° | 120.0° |
| C37 | C38 | H24 | 120.0° | 120.0° |
| C8 | C9 | C10 | 120.5° | 120.1° |
| C9 | C8 | H6 | 120.1° | 120.1° |
| C8 | C9 | H25 | 119.7° | 119.9° |
| C37 | C10 | C9 | 120.5° | 120.2° |
| C37 | C10 | C11 | 121.3° | 119.8° |
| C10 | C37 | H23 | 120.3° | 119.9° |
| C9 | C10 | C11 | 118.1° | 119.9° |
| C10 | C9 | H25 | 119.7° | 119.9° |
| C10 | C11 | N12 | 114.6° | 109.5° |
| C10 | C11 | H7 | 108.2° | 109.5° |
| C10 | C11 | H8 | 108.2° | 109.5° |
| C30 | C31 | C32 | 102.0° | 103.0° |
| C31 | C30 | N29 | 104.8° | 107.2° |
| C31 | C30 | H13 | 110.6° | 109.9° |
| C31 | C30 | H14 | 110.7° | 110.0° |
| C30 | C31 | H15 | 111.3° | 110.7° |
| C30 | C31 | H16 | 111.3° | 110.7° |
| C31 | C32 | C33 | 103.5° | 101.6° |
| C32 | C31 | H15 | 111.3° | 110.7° |
| C32 | C31 | H16 | 111.3° | 110.7° |
| C31 | C32 | H17 | 110.9° | 111.0° |
| C31 | C32 | H18 | 111.0° | 111.0° |
| C26 | C27 | C28 | 112.6° | 109.5° |
| C27 | C26 | O25 | 110.9° | 109.4° |
| C26 | C27 | H11 | 108.7° | 109.5° |
| C26 | C27 | H12 | 108.7° | 109.5° |
| C27 | C26 | H29 | 109.1° | 109.5° |
| C27 | C26 | H30 | 109.1° | 109.5° |
| C27 | C28 | N29 | 107.6° | 109.5° |
| C28 | C27 | H11 | 108.7° | 109.4° |
| C28 | C27 | H12 | 108.7° | 109.4° |
| C27 | C28 | H31 | 109.9° | 109.5° |
| C27 | C28 | H32 | 109.9° | 109.5° |
| C30 | N29 | C33 | 108.6° | 108.5° |
| C30 | N29 | C28 | 113.0° | 111.0° |
| N29 | C30 | H13 | 110.6° | 109.9° |
| N29 | C30 | H14 | 110.6° | 109.9° |
| C33 | N29 | C28 | 111.7° | 111.0° |
| N29 | C33 | C32 | 107.3° | 104.9° |
| N29 | C33 | H19 | 110.0° | 110.3° |
| N29 | C33 | H20 | 110.0° | 110.5° |
| N29 | C28 | H31 | 109.9° | 109.4° |
| N29 | C28 | H32 | 109.9° | 109.5° |
| C20 | N21 | C22 | 109.5° | 109.7° |
| N21 | C20 | C19 | 108.0° | 108.3° |
| N21 | C20 | H28 | 126.0° | 125.9° |
| N21 | C22 | C23 | 131.4° | 131.9° |
| N21 | C22 | N36 | 109.6° | 108.5° |
| C20 | C19 | N36 | 107.4° | 106.6° |
| C20 | C19 | C15 | 125.2° | 126.7° |
| C19 | C20 | H28 | 126.0° | 125.8° |
| C23 | C22 | N36 | 119.0° | 119.7° |
| C22 | C23 | C24 | 120.7° | 119.2° |
| C22 | C23 | H10 | 119.6° | 120.4° |
| C22 | N36 | C19 | 105.5° | 106.9° |
| C22 | N36 | C35 | 120.6° | 120.7° |
| C23 | C24 | O25 | 121.6° | 120.3° |
| C23 | C24 | C34 | 118.7° | 119.4° |
| C24 | C23 | H10 | 119.7° | 120.4° |
| N36 | C19 | C15 | 127.4° | 126.7° |
| C19 | N36 | C35 | 133.9° | 132.3° |
| C19 | C15 | N16 | 119.7° | 120.5° |
| C19 | C15 | C14 | 120.4° | 120.6° |
| N36 | C35 | C34 | 121.4° | 120.9° |
| N36 | C35 | H22 | 119.3° | 119.6° |
| C26 | O25 | C24 | 121.7° | 117.0° |
| O25 | C26 | H29 | 109.1° | 109.5° |
| O25 | C26 | H30 | 109.1° | 109.5° |
| O25 | C24 | C34 | 119.7° | 120.3° |
| C24 | C34 | C35 | 119.7° | 120.1° |
| C24 | C34 | H21 | 120.1° | 119.9° |
| C33 | C32 | H17 | 111.0° | 111.1° |
| C33 | C32 | H18 | 110.9° | 111.0° |
| C32 | C33 | H19 | 110.0° | 110.4° |
| C32 | C33 | H20 | 110.0° | 110.3° |
| C15 | N16 | C17 | 120.1° | 120.7° |
| N16 | C15 | C14 | 119.8° | 118.9° |
| N16 | C17 | N18 | 121.6° | 122.1° |
| N16 | C17 | H9 | 119.2° | 119.0° |
| C15 | C14 | C13 | 117.5° | 118.2° |
| C15 | C14 | H27 | 121.3° | 121.0° |
| C35 | C34 | H21 | 120.2° | 120.0° |
| C34 | C35 | H22 | 119.3° | 119.5° |
| C17 | N18 | C13 | 121.5° | 121.0° |
| N18 | C17 | H9 | 119.1° | 118.9° |
| C14 | C13 | N18 | 119.3° | 119.1° |
| C14 | C13 | N12 | 120.0° | 120.4° |
| C13 | C14 | H27 | 121.2° | 120.9° |
| N18 | C13 | N12 | 120.7° | 120.5° |
| C13 | N12 | C11 | 122.2° | 120.0° |
| C13 | N12 | H26 | 106.2° | 120.0° |
| N12 | C11 | H7 | 108.2° | 109.4° |
| N12 | C11 | H8 | 108.2° | 109.4° |
| C11 | N12 | H26 | 106.2° | 120.0° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.4° | 109.4° |
| H7 | C11 | H8 | 109.4° | 109.5° |
| H11 | C27 | H12 | 109.5° | 109.4° |
| H13 | C30 | H14 | 109.5° | 109.9° |
| H15 | C31 | H16 | 109.5° | 110.8° |
| H17 | C32 | H18 | 109.4° | 110.8° |
| H19 | C33 | H20 | 109.5° | 110.3° |
| H29 | C26 | H30 | 109.5° | 109.5° |
| H31 | C28 | H32 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N6 | N2 | C1 | C3 | 179.6° | 179.5° |
| N2 | N6 | C5 | C4 | 0.2° | 0.2° |
| N6 | N2 | C3 | C4 | 1.1° | 0.4° |
| N6 | N2 | C1 | H1 | 0.0° | 89.6° |
| N6 | N2 | C1 | H2 | 120.0° | 30.4° |
| N6 | N2 | C1 | H3 | 120.0° | 150.4° |
| N6 | N2 | C3 | H4 | 178.8° | 179.9° |
| N2 | N6 | C5 | H5 | 179.8° | 179.8° |
| C5 | N6 | N2 | C1 | 179.5° | 180.0° |
| C5 | N6 | N2 | C3 | 0.8° | 0.4° |
| N6 | C5 | C4 | H5 | 180.0° | 180.0° |
| N6 | C5 | C4 | C3 | 0.4° | 0.0° |
| N6 | C5 | C4 | C7 | 176.9° | 180.0° |
| C1 | N2 | C3 | C4 | 179.2° | 180.0° |
| N2 | C1 | H1 | H2 | 120.0° | 120.0° |
| N2 | C1 | H1 | H3 | 120.0° | 120.0° |
| N2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | N2 | C3 | H4 | 0.8° | 0.3° |
| N2 | C3 | C4 | C5 | 1.0° | 0.3° |
| N2 | C3 | C4 | H4 | 180.0° | 179.7° |
| N2 | C3 | C4 | C7 | 176.4° | 179.8° |
| C3 | N2 | C1 | H1 | 179.6° | 90.0° |
| C3 | N2 | C1 | H2 | 60.4° | 150.0° |
| C3 | N2 | C1 | H3 | 59.6° | 30.0° |
| C5 | C4 | C3 | C7 | 177.4° | 179.9° |
| C5 | C4 | C7 | C38 | 22.5° | 0.1° |
| C5 | C4 | C7 | C8 | 159.5° | 179.7° |
| C5 | C4 | C3 | H4 | 179.0° | 179.9° |
| C3 | C4 | C7 | C38 | 154.3° | 180.0° |
| C3 | C4 | C7 | C8 | 23.7° | 0.4° |
| C3 | C4 | C5 | H5 | 179.5° | 180.0° |
| C4 | C7 | C38 | C8 | 178.0° | 179.6° |
| C4 | C7 | C38 | C37 | 179.7° | 180.0° |
| C4 | C7 | C8 | C9 | 179.0° | 180.0° |
| C7 | C4 | C3 | H4 | 3.6° | 0.1° |
| C7 | C4 | C5 | H5 | 3.1° | 0.0° |
| C4 | C7 | C8 | H6 | 1.0° | 0.1° |
| C4 | C7 | C38 | H24 | 0.3° | 0.1° |
| C7 | C38 | C37 | H24 | 180.0° | 179.9° |
| C38 | C7 | C8 | C9 | 1.0° | 0.3° |
| C7 | C38 | C37 | C10 | 2.3° | 0.1° |
| C38 | C7 | C8 | H6 | 179.0° | 179.8° |
| C7 | C38 | C37 | H23 | 177.7° | 179.7° |
| C8 | C7 | C38 | C37 | 2.3° | 0.4° |
| C7 | C8 | C9 | H6 | 180.0° | 179.9° |
| C7 | C8 | C9 | C10 | 0.2° | 0.1° |
| C8 | C7 | C38 | H24 | 177.7° | 179.7° |
| C7 | C8 | C9 | H25 | 179.8° | 180.0° |
| C38 | C37 | C10 | H23 | 180.0° | 179.8° |
| C38 | C37 | C10 | C9 | 1.2° | 0.2° |
| C38 | C37 | C10 | C11 | 175.5° | 179.9° |
| C8 | C9 | C10 | C37 | 0.1° | 0.2° |
| C8 | C9 | C10 | H25 | 180.0° | 179.9° |
| C8 | C9 | C10 | C11 | 176.9° | 179.9° |
| C37 | C10 | C9 | C11 | 176.8° | 179.8° |
| C37 | C10 | C11 | N12 | 38.0° | 90.0° |
| C37 | C10 | C11 | H7 | 158.8° | 150.1° |
| C37 | C10 | C11 | H8 | 82.8° | 30.0° |
| C10 | C37 | C38 | H24 | 177.7° | 180.0° |
| C37 | C10 | C9 | H25 | 179.8° | 179.8° |
| C9 | C10 | C11 | N12 | 145.2° | 90.2° |
| C10 | C9 | C8 | H6 | 179.8° | 180.0° |
| C9 | C10 | C11 | H7 | 24.5° | 29.7° |
| C9 | C10 | C11 | H8 | 94.0° | 149.8° |
| C9 | C10 | C37 | H23 | 178.9° | 180.0° |
| C10 | C11 | N12 | C13 | 87.4° | 180.0° |
| C10 | C11 | N12 | H7 | 120.8° | 120.0° |
| C10 | C11 | N12 | H8 | 120.8° | 120.1° |
| C10 | C11 | H7 | H8 | 117.7° | 120.1° |
| C11 | C10 | C37 | H23 | 4.5° | 0.2° |
| C11 | C10 | C9 | H25 | 3.1° | 0.0° |
| C10 | C11 | N12 | H26 | 34.4° | 0.0° |
| C30 | C31 | C32 | H15 | 118.8° | 118.4° |
| C30 | C31 | C32 | H16 | 118.8° | 118.4° |
| C31 | C30 | N29 | H13 | 119.3° | 119.4° |
| C31 | C30 | N29 | H14 | 119.3° | 119.6° |
| C31 | C30 | N29 | C33 | 24.9° | 1.0° |
| C31 | C30 | N29 | C28 | 149.4° | 123.3° |
| C30 | C31 | C32 | C33 | 34.0° | 35.6° |
| C31 | C30 | H13 | H14 | 122.2° | 121.2° |
| C30 | C31 | H15 | H16 | 123.5° | 123.3° |
| C30 | C31 | C32 | H17 | 85.1° | 153.8° |
| C30 | C31 | C32 | H18 | 153.0° | 82.5° |
| C32 | C31 | C30 | N29 | 36.4° | 22.3° |
| C31 | C32 | C33 | N29 | 20.0° | 37.1° |
| C31 | C32 | C33 | H17 | 119.1° | 118.1° |
| C31 | C32 | C33 | H18 | 119.1° | 118.1° |
| C32 | C31 | C30 | H13 | 155.7° | 97.1° |
| C32 | C31 | C30 | H14 | 82.8° | 141.8° |
| C32 | C31 | H15 | H16 | 123.5° | 123.2° |
| C31 | C32 | H17 | H18 | 122.8° | 123.8° |
| C31 | C32 | C33 | H19 | 99.7° | 81.8° |
| C31 | C32 | C33 | H20 | 139.7° | 156.1° |
| C26 | C27 | C28 | H11 | 120.5° | 120.0° |
| C26 | C27 | C28 | H12 | 120.5° | 120.1° |
| C26 | C27 | C28 | N29 | 172.8° | 180.0° |
| C27 | C26 | O25 | H29 | 120.2° | 119.9° |
| C27 | C26 | O25 | H30 | 120.2° | 120.0° |
| C27 | C26 | O25 | C24 | 152.2° | 180.0° |
| C26 | C27 | H11 | H12 | 118.6° | 120.1° |
| C27 | C26 | H29 | H30 | 119.3° | 120.0° |
| C26 | C27 | C28 | H31 | 53.1° | 60.0° |
| C26 | C27 | C28 | H32 | 67.5° | 60.0° |
| C27 | C28 | N29 | C30 | 74.5° | 170.0° |
| C27 | C28 | N29 | C33 | 162.6° | 69.1° |
| C27 | C28 | N29 | H31 | 119.7° | 120.0° |
| C27 | C28 | N29 | H32 | 119.7° | 120.0° |
| C28 | C27 | C26 | O25 | 66.2° | 180.0° |
| C28 | C27 | H11 | H12 | 118.5° | 119.9° |
| C28 | C27 | C26 | H29 | 173.5° | 60.1° |
| C28 | C27 | C26 | H30 | 54.0° | 60.0° |
| C27 | C28 | H31 | H32 | 120.8° | 120.0° |
| C30 | N29 | C33 | C28 | 125.3° | 122.3° |
| C30 | N29 | C33 | C32 | 2.9° | 24.1° |
| N29 | C30 | H13 | H14 | 122.1° | 121.0° |
| N29 | C30 | C31 | H15 | 155.2° | 96.1° |
| N29 | C30 | C31 | H16 | 82.4° | 140.6° |
| C30 | N29 | C33 | H19 | 122.6° | 94.8° |
| C30 | N29 | C33 | H20 | 116.7° | 143.0° |
| C30 | N29 | C28 | H31 | 165.7° | 69.9° |
| C30 | N29 | C28 | H32 | 45.2° | 50.0° |
| N29 | C33 | C32 | H19 | 119.7° | 118.8° |
| N29 | C33 | C32 | H20 | 119.6° | 119.0° |
| C33 | N29 | C30 | H13 | 144.1° | 120.4° |
| C33 | N29 | C30 | H14 | 94.4° | 118.6° |
| N29 | C33 | C32 | H17 | 99.0° | 155.2° |
| N29 | C33 | C32 | H18 | 139.1° | 81.0° |
| N29 | C33 | H19 | H20 | 121.0° | 122.4° |
| C33 | N29 | C28 | H31 | 42.9° | 50.9° |
| C33 | N29 | C28 | H32 | 77.7° | 170.8° |
| C28 | N29 | C33 | C32 | 128.2° | 146.4° |
| N29 | C28 | C27 | H11 | 66.7° | 60.0° |
| N29 | C28 | C27 | H12 | 52.3° | 59.9° |
| C28 | N29 | C30 | H13 | 91.3° | 117.3° |
| C28 | N29 | C30 | H14 | 30.2° | 3.7° |
| C28 | N29 | C33 | H19 | 112.1° | 27.5° |
| C28 | N29 | C33 | H20 | 8.6° | 94.7° |
| N29 | C28 | H31 | H32 | 120.9° | 119.9° |
| N21 | C20 | C19 | H28 | 180.0° | 179.9° |
| C20 | N21 | C22 | C23 | 179.2° | 180.0° |
| C20 | N21 | C22 | N36 | 0.2° | 0.0° |
| N21 | C20 | C19 | N36 | 0.2° | 0.1° |
| N21 | C20 | C19 | C15 | 176.6° | 179.8° |
| C22 | N21 | C20 | C19 | 0.0° | 0.1° |
| N21 | C22 | C23 | N36 | 179.4° | 180.0° |
| N21 | C22 | C23 | C24 | 179.5° | 179.9° |
| N21 | C22 | N36 | C19 | 0.3° | 0.0° |
| N21 | C22 | N36 | C35 | 179.2° | 179.8° |
| N21 | C22 | C23 | H10 | 0.4° | 0.0° |
| C22 | N21 | C20 | H28 | 180.0° | 180.0° |
| C20 | C19 | N36 | C22 | 0.3° | 0.0° |
| C20 | C19 | N36 | C15 | 176.3° | 179.8° |
| C20 | C19 | N36 | C35 | 179.0° | 179.8° |
| C20 | C19 | C15 | N16 | 173.5° | 7.6° |
| C20 | C19 | C15 | C14 | 8.7° | 172.8° |
| C22 | C23 | C24 | H10 | 180.0° | 179.9° |
| C23 | C22 | N36 | C19 | 179.2° | 180.0° |
| C23 | C22 | N36 | C35 | 0.3° | 0.2° |
| C22 | C23 | C24 | O25 | 178.3° | 180.0° |
| C22 | C23 | C24 | C34 | 0.6° | 0.0° |
| N36 | C22 | C23 | C24 | 0.2° | 0.0° |
| C22 | N36 | C19 | C35 | 178.7° | 179.7° |
| C22 | N36 | C19 | C15 | 176.5° | 179.8° |
| C22 | N36 | C35 | C34 | 0.3° | 0.4° |
| N36 | C22 | C23 | H10 | 179.8° | 179.9° |
| C22 | N36 | C35 | H22 | 179.7° | 180.0° |
| C23 | C24 | O25 | C26 | 1.4° | 0.1° |
| C23 | C24 | O25 | C34 | 178.9° | 180.0° |
| C23 | C24 | C34 | C35 | 0.6° | 0.2° |
| C23 | C24 | C34 | H21 | 179.4° | 179.9° |
| N36 | C19 | C15 | N16 | 10.9° | 172.2° |
| N36 | C19 | C15 | C14 | 166.9° | 7.4° |
| C19 | N36 | C35 | C34 | 178.8° | 179.9° |
| C19 | N36 | C35 | H22 | 1.1° | 0.3° |
| N36 | C19 | C20 | H28 | 179.8° | 180.0° |
| C15 | C19 | N36 | C35 | 4.8° | 0.1° |
| C19 | C15 | N16 | C14 | 177.8° | 179.6° |
| C19 | C15 | N16 | C17 | 178.7° | 179.7° |
| C19 | C15 | C14 | C13 | 179.8° | 179.9° |
| C19 | C15 | C14 | H27 | 0.2° | 0.1° |
| C15 | C19 | C20 | H28 | 3.4° | 0.1° |
| N36 | C35 | C34 | C24 | 0.2° | 0.4° |
| N36 | C35 | C34 | H22 | 180.0° | 179.6° |
| N36 | C35 | C34 | H21 | 179.8° | 179.8° |
| C26 | O25 | C24 | C34 | 177.5° | 180.0° |
| O25 | C26 | C27 | H11 | 173.3° | 60.0° |
| O25 | C26 | C27 | H12 | 54.2° | 60.0° |
| O25 | C26 | H29 | H30 | 119.3° | 120.1° |
| O25 | C24 | C34 | C35 | 178.3° | 179.8° |
| O25 | C24 | C23 | H10 | 1.7° | 0.1° |
| O25 | C24 | C34 | H21 | 1.7° | 0.0° |
| C24 | O25 | C26 | H29 | 32.0° | 60.1° |
| C24 | O25 | C26 | H30 | 87.6° | 60.0° |
| C24 | C34 | C35 | H21 | 180.0° | 179.8° |
| C34 | C24 | C23 | H10 | 179.3° | 180.0° |
| C24 | C34 | C35 | H22 | 179.9° | 180.0° |
| C33 | C32 | C31 | H15 | 152.8° | 82.8° |
| C33 | C32 | C31 | H16 | 84.8° | 154.0° |
| C33 | C32 | H17 | H18 | 122.7° | 123.9° |
| C32 | C33 | H19 | H20 | 121.0° | 122.2° |
| C15 | N16 | C17 | N18 | 3.0° | 0.0° |
| N16 | C15 | C14 | C13 | 2.0° | 0.3° |
| C15 | N16 | C17 | H9 | 177.1° | 179.8° |
| N16 | C15 | C14 | H27 | 178.0° | 179.8° |
| C17 | N16 | C15 | C14 | 3.5° | 0.0° |
| N16 | C17 | N18 | H9 | 180.0° | 179.8° |
| N16 | C17 | N18 | C13 | 0.8° | 0.2° |
| C15 | C14 | C13 | H27 | 180.0° | 179.9° |
| C15 | C14 | C13 | N18 | 0.1° | 0.5° |
| C15 | C14 | C13 | N12 | 177.9° | 179.9° |
| C17 | N18 | C13 | C14 | 0.7° | 0.5° |
| C17 | N18 | C13 | N12 | 178.4° | 180.0° |
| C14 | C13 | N18 | N12 | 177.8° | 179.5° |
| C14 | C13 | N12 | C11 | 175.7° | 0.0° |
| C14 | C13 | N12 | H26 | 53.9° | 180.0° |
| N18 | C13 | N12 | C11 | 2.1° | 179.5° |
| C13 | N18 | C17 | H9 | 179.2° | 180.0° |
| N18 | C13 | N12 | H26 | 123.8° | 0.5° |
| N18 | C13 | C14 | H27 | 179.9° | 179.5° |
| C13 | N12 | C11 | H26 | 121.8° | 180.0° |
| C13 | N12 | C11 | H7 | 33.4° | 60.0° |
| C13 | N12 | C11 | H8 | 151.8° | 60.0° |
| N12 | C13 | C14 | H27 | 2.2° | 0.0° |
| N12 | C11 | H7 | H8 | 117.7° | 120.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H6 | C8 | C9 | H25 | 0.2° | 0.1° |
| H7 | C11 | N12 | H26 | 155.1° | 120.0° |
| H8 | C11 | N12 | H26 | 86.4° | 120.0° |
| H11 | C27 | C26 | H29 | 53.0° | 180.0° |
| H11 | C27 | C26 | H30 | 66.5° | 60.0° |
| H11 | C27 | C28 | H31 | 173.6° | 180.0° |
| H11 | C27 | C28 | H32 | 53.0° | 60.0° |
| H12 | C27 | C26 | H29 | 66.0° | 60.0° |
| H12 | C27 | C26 | H30 | 174.4° | 180.0° |
| H12 | C27 | C28 | H31 | 67.4° | 60.1° |
| H12 | C27 | C28 | H32 | 172.0° | 180.0° |
| H13 | C30 | C31 | H15 | 85.6° | 144.5° |
| H13 | C30 | C31 | H16 | 36.9° | 21.2° |
| H14 | C30 | C31 | H15 | 36.0° | 23.4° |
| H14 | C30 | C31 | H16 | 158.4° | 99.9° |
| H15 | C31 | C32 | H17 | 33.7° | 35.4° |
| H15 | C31 | C32 | H18 | 88.2° | 159.1° |
| H16 | C31 | C32 | H17 | 156.1° | 87.8° |
| H16 | C31 | C32 | H18 | 34.3° | 35.9° |
| H17 | C32 | C33 | H19 | 141.3° | 36.3° |
| H17 | C32 | C33 | H20 | 20.6° | 85.8° |
| H18 | C32 | C33 | H19 | 19.4° | 160.1° |
| H18 | C32 | C33 | H20 | 101.2° | 38.0° |
| H21 | C34 | C35 | H22 | 0.2° | 0.2° |
| H23 | C37 | C38 | H24 | 2.3° | 0.2° |
