M1R
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C24 | C25 | doub | 1.36Å | 1.41Å | Aromatic |
| C24 | C22 | sing | 1.41Å | 1.42Å | Aromatic |
| C25 | C26 | sing | 1.39Å | 1.41Å | Aromatic |
| C21 | C22 | doub | 1.40Å | 1.42Å | Aromatic |
| C21 | C20 | sing | 1.36Å | 1.42Å | Aromatic |
| C22 | C23 | sing | 1.42Å | 1.42Å | Aromatic |
| C26 | C27 | doub | 1.36Å | 1.42Å | Aromatic |
| C20 | C19 | doub | 1.39Å | 1.41Å | Aromatic |
| C23 | C27 | sing | 1.40Å | 1.42Å | Aromatic |
| C23 | C18 | doub | 1.41Å | 1.43Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.41Å | Aromatic |
| C18 | N9 | sing | 1.39Å | 1.40Å | |
| C36 | C35 | sing | 1.55Å | 1.56Å | |
| C36 | C37 | sing | 1.55Å | 1.56Å | |
| C10 | N9 | sing | 1.47Å | 1.46Å | |
| C10 | C2 | sing | 1.50Å | 1.55Å | |
| N9 | C8 | sing | 1.47Å | 1.48Å | |
| C35 | N34 | sing | 1.48Å | 1.52Å | |
| C37 | C33 | sing | 1.54Å | 1.57Å | |
| N3 | C2 | doub | 1.33Å | 1.36Å | Aromatic |
| N3 | C4 | sing | 1.32Å | 1.35Å | Aromatic |
| C2 | C1 | sing | 1.37Å | 1.41Å | Aromatic |
| C8 | C7 | sing | 1.53Å | 1.54Å | |
| N34 | C33 | sing | 1.47Å | 1.48Å | |
| N34 | C38 | sing | 1.47Å | 1.50Å | |
| O11 | C4 | sing | 1.35Å | 1.34Å | |
| O11 | C28 | sing | 1.43Å | 1.42Å | |
| C4 | N5 | doub | 1.32Å | 1.35Å | Aromatic |
| C33 | C28 | sing | 1.53Å | 1.52Å | |
| C1 | C7 | sing | 1.51Å | 1.55Å | |
| C1 | C6 | doub | 1.40Å | 1.43Å | Aromatic |
| N5 | C6 | sing | 1.33Å | 1.34Å | Aromatic |
| C6 | N12 | sing | 1.39Å | 1.36Å | |
| N12 | C13 | sing | 1.47Å | 1.48Å | |
| N12 | C17 | sing | 1.47Å | 1.47Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C17 | C16 | sing | 1.53Å | 1.53Å | |
| C14 | N15 | sing | 1.47Å | 1.49Å | |
| C16 | N15 | sing | 1.47Å | 1.47Å | |
| N15 | C29 | sing | 1.35Å | 1.39Å | |
| O31 | C29 | doub | 1.21Å | 1.24Å | |
| C29 | C30 | sing | 1.51Å | 1.45Å | |
| C30 | C32 | sing | 1.53Å | 1.42Å | |
| C14 | H1 | sing | 1.09Å | 1.10Å | |
| C14 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C17 | H6 | sing | 1.09Å | 1.10Å | |
| C16 | H7 | sing | 1.09Å | 1.10Å | |
| C16 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C7 | H13 | sing | 1.09Å | 1.10Å | |
| C7 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.08Å | 1.08Å | |
| C20 | H16 | sing | 1.08Å | 1.08Å | |
| C21 | H17 | sing | 1.08Å | 1.08Å | |
| C24 | H18 | sing | 1.08Å | 1.08Å | |
| C25 | H19 | sing | 1.08Å | 1.08Å | |
| C26 | H20 | sing | 1.08Å | 1.08Å | |
| C27 | H21 | sing | 1.08Å | 1.08Å | |
| C28 | H22 | sing | 1.09Å | 1.10Å | |
| C28 | H23 | sing | 1.09Å | 1.10Å | |
| C30 | H24 | sing | 1.09Å | 1.10Å | |
| C30 | H25 | sing | 1.09Å | 1.10Å | |
| C32 | H26 | sing | 1.09Å | 1.10Å | |
| C32 | H27 | sing | 1.09Å | 1.10Å | |
| C32 | H28 | sing | 1.09Å | 1.10Å | |
| C33 | H29 | sing | 1.09Å | 1.10Å | |
| C35 | H31 | sing | 1.09Å | 1.10Å | |
| C35 | H32 | sing | 1.09Å | 1.10Å | |
| C36 | H33 | sing | 1.09Å | 1.10Å | |
| C36 | H34 | sing | 1.09Å | 1.10Å | |
| C37 | H35 | sing | 1.09Å | 1.10Å | |
| C37 | H36 | sing | 1.09Å | 1.10Å | |
| C38 | H37 | sing | 1.09Å | 1.10Å | |
| C38 | H38 | sing | 1.09Å | 1.10Å | |
| C38 | H39 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C25 | C24 | C22 | 117.4° | 119.7° |
| C24 | C25 | C26 | 121.3° | 120.9° |
| C25 | C24 | H18 | 121.3° | 120.2° |
| C24 | C25 | H19 | 119.4° | 119.6° |
| C24 | C22 | C21 | 118.2° | 121.3° |
| C24 | C22 | C23 | 122.8° | 119.3° |
| C22 | C24 | H18 | 121.3° | 120.1° |
| C25 | C26 | C27 | 120.2° | 121.0° |
| C26 | C25 | H19 | 119.3° | 119.5° |
| C25 | C26 | H20 | 119.9° | 119.5° |
| C22 | C21 | C20 | 119.0° | 120.0° |
| C21 | C22 | C23 | 119.0° | 119.5° |
| C22 | C21 | H17 | 120.5° | 120.0° |
| C21 | C20 | C19 | 122.6° | 121.1° |
| C21 | C20 | H16 | 118.7° | 119.5° |
| C20 | C21 | H17 | 120.5° | 120.1° |
| C22 | C23 | C27 | 118.2° | 119.5° |
| C22 | C23 | C18 | 121.1° | 119.3° |
| C26 | C27 | C23 | 120.1° | 119.6° |
| C27 | C26 | H20 | 119.9° | 119.5° |
| C26 | C27 | H21 | 120.0° | 120.2° |
| C20 | C19 | C18 | 118.6° | 120.7° |
| C20 | C19 | H15 | 120.7° | 119.7° |
| C19 | C20 | H16 | 118.7° | 119.4° |
| C27 | C23 | C18 | 120.6° | 121.2° |
| C23 | C27 | H21 | 119.9° | 120.2° |
| C23 | C18 | C19 | 119.6° | 119.4° |
| C23 | C18 | N9 | 122.8° | 120.3° |
| C19 | C18 | N9 | 117.6° | 120.3° |
| C18 | C19 | H15 | 120.7° | 119.6° |
| C18 | N9 | C10 | 112.7° | 111.0° |
| C18 | N9 | C8 | 124.0° | 111.0° |
| C35 | C36 | C37 | 105.4° | 101.7° |
| C36 | C35 | N34 | 106.8° | 104.8° |
| C36 | C35 | H31 | 110.1° | 110.4° |
| C36 | C35 | H32 | 110.2° | 110.5° |
| C35 | C36 | H33 | 110.5° | 111.0° |
| C35 | C36 | H34 | 110.5° | 111.0° |
| C36 | C37 | C33 | 105.6° | 102.9° |
| C37 | C36 | H33 | 110.5° | 110.9° |
| C37 | C36 | H34 | 110.5° | 111.0° |
| C36 | C37 | H35 | 110.4° | 110.7° |
| C36 | C37 | H36 | 110.4° | 110.7° |
| N9 | C10 | C2 | 115.4° | 110.4° |
| C10 | N9 | C8 | 119.1° | 110.3° |
| N9 | C10 | H9 | 108.0° | 109.3° |
| N9 | C10 | H10 | 108.0° | 109.3° |
| C10 | C2 | N3 | 119.7° | 119.1° |
| C10 | C2 | C1 | 120.8° | 121.9° |
| C2 | C10 | H9 | 108.0° | 109.3° |
| C2 | C10 | H10 | 108.0° | 109.3° |
| N9 | C8 | C7 | 109.3° | 108.6° |
| N9 | C8 | H11 | 109.5° | 109.7° |
| N9 | C8 | H12 | 109.5° | 109.8° |
| C35 | N34 | C33 | 110.3° | 108.6° |
| C35 | N34 | C38 | 111.8° | 111.0° |
| N34 | C35 | H31 | 110.2° | 110.4° |
| N34 | C35 | H32 | 110.1° | 110.3° |
| C37 | C33 | N34 | 107.4° | 107.3° |
| C37 | C33 | C28 | 112.0° | 109.9° |
| C37 | C33 | H29 | 108.8° | 109.9° |
| C33 | C37 | H35 | 110.4° | 110.6° |
| C33 | C37 | H36 | 110.4° | 110.9° |
| C2 | N3 | C4 | 120.7° | 121.1° |
| N3 | C2 | C1 | 119.4° | 119.0° |
| N3 | C4 | O11 | 116.0° | 119.2° |
| N3 | C4 | N5 | 123.6° | 121.7° |
| C2 | C1 | C7 | 119.3° | 121.9° |
| C2 | C1 | C6 | 115.6° | 118.7° |
| C8 | C7 | C1 | 110.6° | 109.8° |
| C7 | C8 | H11 | 109.5° | 109.6° |
| C7 | C8 | H12 | 109.5° | 109.6° |
| C8 | C7 | H13 | 109.2° | 109.5° |
| C8 | C7 | H14 | 109.2° | 109.4° |
| C33 | N34 | C38 | 102.3° | 111.0° |
| N34 | C33 | C28 | 109.5° | 109.9° |
| N34 | C33 | H29 | 109.8° | 109.9° |
| N34 | C38 | H37 | 109.5° | 109.5° |
| N34 | C38 | H38 | 109.4° | 109.5° |
| N34 | C38 | H39 | 109.5° | 109.5° |
| C4 | O11 | C28 | 124.0° | 117.0° |
| O11 | C4 | N5 | 120.4° | 119.1° |
| O11 | C28 | C33 | 107.3° | 109.4° |
| O11 | C28 | H22 | 110.0° | 109.5° |
| O11 | C28 | H23 | 110.0° | 109.5° |
| C4 | N5 | C6 | 116.4° | 120.5° |
| C33 | C28 | H22 | 110.0° | 109.5° |
| C33 | C28 | H23 | 110.0° | 109.4° |
| C28 | C33 | H29 | 109.3° | 109.9° |
| C7 | C1 | C6 | 125.0° | 119.4° |
| C1 | C7 | H13 | 109.2° | 109.4° |
| C1 | C7 | H14 | 109.2° | 109.3° |
| C1 | C6 | N5 | 124.3° | 119.0° |
| C1 | C6 | N12 | 121.8° | 120.5° |
| N5 | C6 | N12 | 113.9° | 120.4° |
| C6 | N12 | C13 | 116.5° | 111.0° |
| C6 | N12 | C17 | 115.9° | 111.0° |
| C13 | N12 | C17 | 122.5° | 111.3° |
| N12 | C13 | C14 | 109.7° | 109.3° |
| N12 | C13 | H3 | 109.4° | 109.5° |
| N12 | C13 | H4 | 109.4° | 109.5° |
| N12 | C17 | C16 | 102.6° | 109.3° |
| N12 | C17 | H5 | 111.2° | 109.5° |
| N12 | C17 | H6 | 111.2° | 109.5° |
| C13 | C14 | N15 | 112.3° | 108.5° |
| C13 | C14 | H1 | 108.8° | 109.7° |
| C13 | C14 | H2 | 108.8° | 109.8° |
| C14 | C13 | H3 | 109.4° | 109.5° |
| C14 | C13 | H4 | 109.4° | 109.5° |
| C17 | C16 | N15 | 114.3° | 108.5° |
| C16 | C17 | H5 | 111.2° | 109.5° |
| C16 | C17 | H6 | 111.2° | 109.5° |
| C17 | C16 | H7 | 108.2° | 109.6° |
| C17 | C16 | H8 | 108.3° | 109.7° |
| C14 | N15 | C16 | 114.3° | 118.3° |
| C14 | N15 | C29 | 119.3° | 120.8° |
| N15 | C14 | H1 | 108.7° | 109.6° |
| N15 | C14 | H2 | 108.7° | 109.6° |
| C16 | N15 | C29 | 126.0° | 120.9° |
| N15 | C16 | H7 | 108.3° | 109.6° |
| N15 | C16 | H8 | 108.2° | 109.7° |
| N15 | C29 | O31 | 114.0° | 120.0° |
| N15 | C29 | C30 | 122.7° | 120.0° |
| O31 | C29 | C30 | 123.0° | 120.0° |
| C29 | C30 | C32 | 117.6° | 109.5° |
| C29 | C30 | H24 | 107.4° | 109.5° |
| C29 | C30 | H25 | 107.4° | 109.5° |
| C32 | C30 | H24 | 107.4° | 109.4° |
| C32 | C30 | H25 | 107.4° | 109.5° |
| C30 | C32 | H26 | 109.5° | 109.5° |
| C30 | C32 | H27 | 109.5° | 109.4° |
| C30 | C32 | H28 | 109.5° | 109.5° |
| H1 | C14 | H2 | 109.5° | 109.6° |
| H3 | C13 | H4 | 109.5° | 109.5° |
| H5 | C17 | H6 | 109.5° | 109.5° |
| H7 | C16 | H8 | 109.5° | 109.8° |
| H9 | C10 | H10 | 109.5° | 109.1° |
| H11 | C8 | H12 | 109.5° | 109.6° |
| H13 | C7 | H14 | 109.5° | 109.4° |
| H22 | C28 | H23 | 109.5° | 109.5° |
| H24 | C30 | H25 | 109.5° | 109.5° |
| H26 | C32 | H27 | 109.5° | 109.4° |
| H26 | C32 | H28 | 109.4° | 109.5° |
| H27 | C32 | H28 | 109.5° | 109.4° |
| H31 | C35 | H32 | 109.5° | 110.4° |
| H33 | C36 | H34 | 109.5° | 111.0° |
| H35 | C37 | H36 | 109.5° | 110.8° |
| H37 | C38 | H38 | 109.5° | 109.5° |
| H37 | C38 | H39 | 109.5° | 109.4° |
| H38 | C38 | H39 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C25 | C24 | C22 | H18 | 180.0° | 180.0° |
| C24 | C25 | C26 | H19 | 180.0° | 180.0° |
| C25 | C24 | C22 | C21 | 179.2° | 180.0° |
| C25 | C24 | C22 | C23 | 0.5° | 0.0° |
| C24 | C25 | C26 | C27 | 0.0° | 0.0° |
| C24 | C25 | C26 | H20 | 180.0° | 180.0° |
| C22 | C24 | C25 | C26 | 0.6° | 0.0° |
| C24 | C22 | C21 | C23 | 179.7° | 180.0° |
| C24 | C22 | C21 | C20 | 178.6° | 179.8° |
| C24 | C22 | C23 | C27 | 0.3° | 0.0° |
| C24 | C22 | C23 | C18 | 179.6° | 179.5° |
| C24 | C22 | C21 | H17 | 1.4° | 0.0° |
| C22 | C24 | C25 | H19 | 179.4° | 180.0° |
| C25 | C26 | C27 | H20 | 180.0° | 179.9° |
| C25 | C26 | C27 | C23 | 0.8° | 0.0° |
| C26 | C25 | C24 | H18 | 179.4° | 180.0° |
| C25 | C26 | C27 | H21 | 179.2° | 180.0° |
| C22 | C21 | C20 | H17 | 180.0° | 179.8° |
| C22 | C21 | C20 | C19 | 1.7° | 0.0° |
| C21 | C22 | C23 | C27 | 180.0° | 179.9° |
| C21 | C22 | C23 | C18 | 0.1° | 0.5° |
| C22 | C21 | C20 | H16 | 178.3° | 180.0° |
| C21 | C22 | C24 | H18 | 0.8° | 0.0° |
| C20 | C21 | C22 | C23 | 1.1° | 0.2° |
| C21 | C20 | C19 | H16 | 180.0° | 180.0° |
| C21 | C20 | C19 | C18 | 1.2° | 0.0° |
| C21 | C20 | C19 | H15 | 178.8° | 180.0° |
| C22 | C23 | C27 | C26 | 0.9° | 0.0° |
| C22 | C23 | C27 | C18 | 179.8° | 179.4° |
| C22 | C23 | C18 | C19 | 0.3° | 0.5° |
| C22 | C23 | C18 | N9 | 179.1° | 179.8° |
| C23 | C22 | C21 | H17 | 178.9° | 180.0° |
| C23 | C22 | C24 | H18 | 179.5° | 180.0° |
| C22 | C23 | C27 | H21 | 179.1° | 180.0° |
| C26 | C27 | C23 | H21 | 180.0° | 180.0° |
| C26 | C27 | C23 | C18 | 178.9° | 179.5° |
| C27 | C26 | C25 | H19 | 179.9° | 180.0° |
| C20 | C19 | C18 | C23 | 0.2° | 0.3° |
| C20 | C19 | C18 | H15 | 180.0° | 180.0° |
| C20 | C19 | C18 | N9 | 179.6° | 180.0° |
| C19 | C20 | C21 | H17 | 178.3° | 179.7° |
| C27 | C23 | C18 | C19 | 179.5° | 180.0° |
| C27 | C23 | C18 | N9 | 1.1° | 0.4° |
| C23 | C27 | C26 | H20 | 179.2° | 179.9° |
| C23 | C18 | C19 | N9 | 179.5° | 179.7° |
| C23 | C18 | N9 | C10 | 71.5° | 115.8° |
| C23 | C18 | N9 | C8 | 131.9° | 121.1° |
| C23 | C18 | C19 | H15 | 179.8° | 179.8° |
| C18 | C23 | C27 | H21 | 1.1° | 0.6° |
| C19 | C18 | N9 | C10 | 107.9° | 63.9° |
| C19 | C18 | N9 | C8 | 48.7° | 59.2° |
| C18 | C19 | C20 | H16 | 178.8° | 180.0° |
| C18 | N9 | C10 | C8 | 157.9° | 123.5° |
| C18 | N9 | C10 | C2 | 177.5° | 176.0° |
| C18 | N9 | C8 | C7 | 153.3° | 165.4° |
| C18 | N9 | C10 | H9 | 56.7° | 63.7° |
| C18 | N9 | C10 | H10 | 61.6° | 55.7° |
| C18 | N9 | C8 | H11 | 33.3° | 74.8° |
| C18 | N9 | C8 | H12 | 86.7° | 45.7° |
| N9 | C18 | C19 | H15 | 0.4° | 0.1° |
| C35 | C36 | C37 | H33 | 119.4° | 118.1° |
| C35 | C36 | C37 | H34 | 119.4° | 118.1° |
| C36 | C35 | N34 | H31 | 119.6° | 118.8° |
| C36 | C35 | N34 | H32 | 119.6° | 118.9° |
| C35 | C36 | C37 | C33 | 21.6° | 35.5° |
| C36 | C35 | N34 | C33 | 7.3° | 24.1° |
| C36 | C35 | N34 | C38 | 105.8° | 98.2° |
| C36 | C35 | H31 | H32 | 121.3° | 122.4° |
| C35 | C36 | H33 | H34 | 121.8° | 123.9° |
| C35 | C36 | C37 | H35 | 140.9° | 82.7° |
| C35 | C36 | C37 | H36 | 97.8° | 154.0° |
| C37 | C36 | C35 | N34 | 18.0° | 37.0° |
| C36 | C37 | C33 | H35 | 119.4° | 118.3° |
| C36 | C37 | C33 | H36 | 119.4° | 118.4° |
| C36 | C37 | C33 | N34 | 17.5° | 22.1° |
| C36 | C37 | C33 | C28 | 137.8° | 141.6° |
| C36 | C37 | C33 | H29 | 101.3° | 97.4° |
| C37 | C36 | C35 | H31 | 101.6° | 155.8° |
| C37 | C36 | C35 | H32 | 137.5° | 81.9° |
| C37 | C36 | H33 | H34 | 121.9° | 123.8° |
| C36 | C37 | H35 | H36 | 121.8° | 123.2° |
| N9 | C10 | C2 | H9 | 120.9° | 120.3° |
| N9 | C10 | C2 | H10 | 120.9° | 120.3° |
| N9 | C10 | C2 | N3 | 170.3° | 162.6° |
| N9 | C10 | C2 | C1 | 6.9° | 17.5° |
| C10 | N9 | C8 | C7 | 51.4° | 71.1° |
| N9 | C10 | H9 | H10 | 117.3° | 119.5° |
| C10 | N9 | C8 | H11 | 171.4° | 48.7° |
| C10 | N9 | C8 | H12 | 68.6° | 169.2° |
| C2 | C10 | N9 | C8 | 19.7° | 52.5° |
| C10 | C2 | N3 | C1 | 177.2° | 179.9° |
| C10 | C2 | N3 | C4 | 178.1° | 179.8° |
| C10 | C2 | C1 | C7 | 1.4° | 0.4° |
| C10 | C2 | C1 | C6 | 178.1° | 179.7° |
| C2 | C10 | H9 | H10 | 117.3° | 119.5° |
| N9 | C8 | C7 | H11 | 120.0° | 119.8° |
| N9 | C8 | C7 | H12 | 120.0° | 119.9° |
| N9 | C8 | C7 | C1 | 56.1° | 50.1° |
| C8 | N9 | C10 | H9 | 101.2° | 172.8° |
| C8 | N9 | C10 | H10 | 140.5° | 67.8° |
| N9 | C8 | H11 | H12 | 120.1° | 120.5° |
| N9 | C8 | C7 | H13 | 64.1° | 70.0° |
| N9 | C8 | C7 | H14 | 176.3° | 170.0° |
| C35 | N34 | C33 | C37 | 6.4° | 1.0° |
| C35 | N34 | C33 | C38 | 119.1° | 122.3° |
| C35 | N34 | C33 | C28 | 128.3° | 118.4° |
| C35 | N34 | C33 | H29 | 111.7° | 120.5° |
| N34 | C35 | H31 | H32 | 121.2° | 122.3° |
| N34 | C35 | C36 | H33 | 101.4° | 81.0° |
| N34 | C35 | C36 | H34 | 137.3° | 155.1° |
| C35 | N34 | C38 | H37 | 180.0° | 179.2° |
| C35 | N34 | C38 | H38 | 60.0° | 59.2° |
| C35 | N34 | C38 | H39 | 60.0° | 60.9° |
| C37 | C33 | N34 | C28 | 121.9° | 119.4° |
| C37 | C33 | N34 | H29 | 118.1° | 119.5° |
| C37 | C33 | N34 | C38 | 125.5° | 121.2° |
| C37 | C33 | C28 | O11 | 50.4° | 175.3° |
| C37 | C33 | C28 | H29 | 120.6° | 121.1° |
| C37 | C33 | C28 | H22 | 69.2° | 64.6° |
| C37 | C33 | C28 | H23 | 170.1° | 55.4° |
| C33 | C37 | C36 | H33 | 97.8° | 82.6° |
| C33 | C37 | C36 | H34 | 140.9° | 153.6° |
| C33 | C37 | H35 | H36 | 121.8° | 123.4° |
| C2 | N3 | C4 | O11 | 179.9° | 180.0° |
| C2 | N3 | C4 | N5 | 0.8° | 0.0° |
| N3 | C2 | C1 | C7 | 178.5° | 179.7° |
| N3 | C2 | C1 | C6 | 1.0° | 0.2° |
| N3 | C2 | C10 | H9 | 49.4° | 42.2° |
| N3 | C2 | C10 | H10 | 68.9° | 77.2° |
| C4 | N3 | C2 | C1 | 1.0° | 0.1° |
| N3 | C4 | O11 | N5 | 179.3° | 180.0° |
| N3 | C4 | O11 | C28 | 179.6° | 0.0° |
| N3 | C4 | N5 | C6 | 0.7° | 0.1° |
| C2 | C1 | C7 | C8 | 33.2° | 16.6° |
| C2 | C1 | C7 | C6 | 179.5° | 180.0° |
| C2 | C1 | C6 | N5 | 0.9° | 0.2° |
| C2 | C1 | C6 | N12 | 177.7° | 179.8° |
| C1 | C2 | C10 | H9 | 127.7° | 137.8° |
| C1 | C2 | C10 | H10 | 114.0° | 102.8° |
| C2 | C1 | C7 | H13 | 87.0° | 103.5° |
| C2 | C1 | C7 | H14 | 153.3° | 136.7° |
| C8 | C7 | C1 | H13 | 120.2° | 120.2° |
| C8 | C7 | C1 | H14 | 120.2° | 120.0° |
| C8 | C7 | C1 | C6 | 146.3° | 163.4° |
| C7 | C8 | H11 | H12 | 120.1° | 120.3° |
| C8 | C7 | H13 | H14 | 119.5° | 119.9° |
| N34 | C33 | C28 | O11 | 68.6° | 66.8° |
| N34 | C33 | C28 | H29 | 120.4° | 121.1° |
| N34 | C33 | C28 | H22 | 171.7° | 53.2° |
| N34 | C33 | C28 | H23 | 51.0° | 173.3° |
| C33 | N34 | C35 | H31 | 112.2° | 142.9° |
| C33 | N34 | C35 | H32 | 126.9° | 94.8° |
| N34 | C33 | C37 | H35 | 136.9° | 96.1° |
| N34 | C33 | C37 | H36 | 101.9° | 140.5° |
| C33 | N34 | C38 | H37 | 62.0° | 60.0° |
| C33 | N34 | C38 | H38 | 178.0° | 180.0° |
| C33 | N34 | C38 | H39 | 58.0° | 60.0° |
| C38 | N34 | C33 | C28 | 112.6° | 119.3° |
| C38 | N34 | C33 | H29 | 7.4° | 1.7° |
| C38 | N34 | C35 | H31 | 134.6° | 20.6° |
| C38 | N34 | C35 | H32 | 13.7° | 142.9° |
| N34 | C38 | H37 | H38 | 120.0° | 120.0° |
| N34 | C38 | H37 | H39 | 120.0° | 120.0° |
| N34 | C38 | H38 | H39 | 120.0° | 120.0° |
| C4 | O11 | C28 | C33 | 176.8° | 179.9° |
| O11 | C4 | N5 | C6 | 179.9° | 179.9° |
| C4 | O11 | C28 | H22 | 57.1° | 60.1° |
| C4 | O11 | C28 | H23 | 63.6° | 60.0° |
| C28 | O11 | C4 | N5 | 0.3° | 180.0° |
| O11 | C28 | C33 | H22 | 119.7° | 120.0° |
| O11 | C28 | C33 | H23 | 119.6° | 120.0° |
| O11 | C28 | H22 | H23 | 121.0° | 120.1° |
| O11 | C28 | C33 | H29 | 171.0° | 54.3° |
| C4 | N5 | C6 | C1 | 0.7° | 0.0° |
| C4 | N5 | C6 | N12 | 177.9° | 180.0° |
| C33 | C28 | H22 | H23 | 121.0° | 120.0° |
| C28 | C33 | C37 | H35 | 102.9° | 23.3° |
| C28 | C33 | C37 | H36 | 18.4° | 100.1° |
| C7 | C1 | C6 | N5 | 178.6° | 179.8° |
| C7 | C1 | C6 | N12 | 2.8° | 0.2° |
| C1 | C7 | C8 | H11 | 176.1° | 69.7° |
| C1 | C7 | C8 | H12 | 63.9° | 169.9° |
| C1 | C7 | H13 | H14 | 119.5° | 119.7° |
| C1 | C6 | N5 | N12 | 178.7° | 180.0° |
| C1 | C6 | N12 | C13 | 38.7° | 117.6° |
| C1 | C6 | N12 | C17 | 165.8° | 118.1° |
| C6 | C1 | C7 | H13 | 93.5° | 76.4° |
| C6 | C1 | C7 | H14 | 26.1° | 43.4° |
| N5 | C6 | N12 | C13 | 140.0° | 62.4° |
| N5 | C6 | N12 | C17 | 15.5° | 61.9° |
| C6 | N12 | C13 | C17 | 153.7° | 124.2° |
| C6 | N12 | C13 | C14 | 136.6° | 172.7° |
| C6 | N12 | C17 | C16 | 169.5° | 172.7° |
| C6 | N12 | C13 | H3 | 16.5° | 52.8° |
| C6 | N12 | C13 | H4 | 103.4° | 67.3° |
| C6 | N12 | C17 | H5 | 50.6° | 67.3° |
| C6 | N12 | C17 | H6 | 71.7° | 52.7° |
| N12 | C13 | C14 | H3 | 120.0° | 119.9° |
| N12 | C13 | C14 | H4 | 120.0° | 120.0° |
| C13 | N12 | C17 | C16 | 36.7° | 63.1° |
| N12 | C13 | C14 | N15 | 51.6° | 53.8° |
| N12 | C13 | C14 | H1 | 68.8° | 173.6° |
| N12 | C13 | C14 | H2 | 172.0° | 66.0° |
| N12 | C13 | H3 | H4 | 119.9° | 120.1° |
| C13 | N12 | C17 | H5 | 155.6° | 56.8° |
| C13 | N12 | C17 | H6 | 82.2° | 176.9° |
| C17 | N12 | C13 | C14 | 17.2° | 63.1° |
| N12 | C17 | C16 | H5 | 118.9° | 120.0° |
| N12 | C17 | C16 | H6 | 118.9° | 120.0° |
| N12 | C17 | C16 | N15 | 63.0° | 53.8° |
| C17 | N12 | C13 | H3 | 137.2° | 177.0° |
| C17 | N12 | C13 | H4 | 102.9° | 56.9° |
| N12 | C17 | H5 | H6 | 123.2° | 120.1° |
| N12 | C17 | C16 | H7 | 57.8° | 65.9° |
| N12 | C17 | C16 | H8 | 176.3° | 173.6° |
| C13 | C14 | N15 | H1 | 120.4° | 119.8° |
| C13 | C14 | N15 | H2 | 120.4° | 119.9° |
| C13 | C14 | N15 | C16 | 27.2° | 51.2° |
| C13 | C14 | N15 | C29 | 159.1° | 128.8° |
| C13 | C14 | H1 | H2 | 118.7° | 120.6° |
| C14 | C13 | H3 | H4 | 119.9° | 120.1° |
| C17 | C16 | N15 | C14 | 32.3° | 51.1° |
| C17 | C16 | N15 | H7 | 120.7° | 119.7° |
| C17 | C16 | N15 | H8 | 120.7° | 119.8° |
| C17 | C16 | N15 | C29 | 140.8° | 128.8° |
| C16 | C17 | H5 | H6 | 123.2° | 120.0° |
| C17 | C16 | H7 | H8 | 117.8° | 120.5° |
| C14 | N15 | C16 | C29 | 173.2° | 180.0° |
| C14 | N15 | C29 | O31 | 1.8° | 0.0° |
| C14 | N15 | C29 | C30 | 175.2° | 179.9° |
| N15 | C14 | H1 | H2 | 118.7° | 120.3° |
| N15 | C14 | C13 | H3 | 171.6° | 173.7° |
| N15 | C14 | C13 | H4 | 68.4° | 66.2° |
| C14 | N15 | C16 | H7 | 88.4° | 68.5° |
| C14 | N15 | C16 | H8 | 153.1° | 170.9° |
| C16 | N15 | C29 | O31 | 171.1° | 179.9° |
| C16 | N15 | C29 | C30 | 2.3° | 0.0° |
| C16 | N15 | C14 | H1 | 93.2° | 170.9° |
| C16 | N15 | C14 | H2 | 147.7° | 68.8° |
| N15 | C16 | C17 | H5 | 178.1° | 66.2° |
| N15 | C16 | C17 | H6 | 55.9° | 173.8° |
| N15 | C16 | H7 | H8 | 117.8° | 120.5° |
| N15 | C29 | O31 | C30 | 173.4° | 179.9° |
| N15 | C29 | C30 | C32 | 98.7° | 180.0° |
| C29 | N15 | C14 | H1 | 80.5° | 9.0° |
| C29 | N15 | C14 | H2 | 38.7° | 111.3° |
| C29 | N15 | C16 | H7 | 98.5° | 111.5° |
| C29 | N15 | C16 | H8 | 20.1° | 9.1° |
| N15 | C29 | C30 | H24 | 140.1° | 60.1° |
| N15 | C29 | C30 | H25 | 22.5° | 60.0° |
| O31 | C29 | C30 | C32 | 74.1° | 0.1° |
| O31 | C29 | C30 | H24 | 47.0° | 120.0° |
| O31 | C29 | C30 | H25 | 164.7° | 119.9° |
| C29 | C30 | C32 | H24 | 121.1° | 119.9° |
| C29 | C30 | C32 | H25 | 121.2° | 120.1° |
| C29 | C30 | H24 | H25 | 116.3° | 120.1° |
| C29 | C30 | C32 | H26 | 180.0° | 180.0° |
| C29 | C30 | C32 | H27 | 60.0° | 60.1° |
| C29 | C30 | C32 | H28 | 60.0° | 59.9° |
| C32 | C30 | H24 | H25 | 116.3° | 120.0° |
| C30 | C32 | H26 | H27 | 120.0° | 119.9° |
| C30 | C32 | H26 | H28 | 120.0° | 120.1° |
| C30 | C32 | H27 | H28 | 120.0° | 120.0° |
| H1 | C14 | C13 | H3 | 51.2° | 66.5° |
| H1 | C14 | C13 | H4 | 171.2° | 53.5° |
| H2 | C14 | C13 | H3 | 68.0° | 54.0° |
| H2 | C14 | C13 | H4 | 52.0° | 174.0° |
| H5 | C17 | C16 | H7 | 61.1° | 174.2° |
| H5 | C17 | C16 | H8 | 57.4° | 53.6° |
| H6 | C17 | C16 | H7 | 176.7° | 54.1° |
| H6 | C17 | C16 | H8 | 64.8° | 66.4° |
| H11 | C8 | C7 | H13 | 55.9° | 170.2° |
| H11 | C8 | C7 | H14 | 63.7° | 50.2° |
| H12 | C8 | C7 | H13 | 176.0° | 49.8° |
| H12 | C8 | C7 | H14 | 56.3° | 70.1° |
| H15 | C19 | C20 | H16 | 1.2° | 0.0° |
| H16 | C20 | C21 | H17 | 1.7° | 0.2° |
| H18 | C24 | C25 | H19 | 0.6° | 0.0° |
| H19 | C25 | C26 | H20 | 0.0° | 0.0° |
| H20 | C26 | C27 | H21 | 0.8° | 0.0° |
| H22 | C28 | C33 | H29 | 51.4° | 174.3° |
| H23 | C28 | C33 | H29 | 69.3° | 65.7° |
| H24 | C30 | C32 | H26 | 58.8° | 60.1° |
| H24 | C30 | C32 | H27 | 178.9° | 180.0° |
| H24 | C30 | C32 | H28 | 61.1° | 60.0° |
| H25 | C30 | C32 | H26 | 58.9° | 59.9° |
| H25 | C30 | C32 | H27 | 61.2° | 60.0° |
| H25 | C30 | C32 | H28 | 178.8° | 180.0° |
| H26 | C32 | H27 | H28 | 119.9° | 120.0° |
| H29 | C33 | C37 | H35 | 18.1° | 144.4° |
| H29 | C33 | C37 | H36 | 139.3° | 21.0° |
| H31 | C35 | C36 | H33 | 139.0° | 37.8° |
| H31 | C35 | C36 | H34 | 17.7° | 86.0° |
| H32 | C35 | C36 | H33 | 18.1° | 160.2° |
| H32 | C35 | C36 | H34 | 103.1° | 36.3° |
| H33 | C36 | C37 | H35 | 21.6° | 159.2° |
| H33 | C36 | C37 | H36 | 142.8° | 36.0° |
| H34 | C36 | C37 | H35 | 99.7° | 35.4° |
| H34 | C36 | C37 | H36 | 21.5° | 87.9° |
| H37 | C38 | H38 | H39 | 120.0° | 120.0° |
