HT9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C24 | C16 | sing | 1.51Å | 1.49Å | |
| C16 | C15 | doub | 1.35Å | 1.38Å | Aromatic |
| C16 | C17 | sing | 1.47Å | 1.43Å | Aromatic |
| C27 | C15 | sing | 1.51Å | 1.50Å | |
| C27 | C28 | sing | 1.53Å | 1.52Å | |
| C35 | C10 | sing | 1.51Å | 1.50Å | |
| C15 | C18 | sing | 1.47Å | 1.42Å | Aromatic |
| C20 | C17 | sing | 1.40Å | 1.39Å | Aromatic |
| C20 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C28 | C29 | sing | 1.51Å | 1.52Å | |
| C17 | N4 | doub | 1.33Å | 1.38Å | Aromatic |
| O5 | C29 | doub | 1.21Å | 1.24Å | |
| C29 | O6 | sing | 1.34Å | 1.25Å | |
| C10 | C13 | sing | 1.41Å | 1.46Å | Aromatic |
| C10 | C11 | doub | 1.35Å | 1.36Å | Aromatic |
| C13 | N3 | sing | 1.38Å | 1.37Å | Aromatic |
| C18 | N4 | sing | 1.34Å | 1.38Å | Aromatic |
| C18 | C19 | doub | 1.39Å | 1.39Å | Aromatic |
| C22 | C21 | sing | 1.53Å | 1.53Å | |
| C22 | C23 | sing | 1.51Å | 1.52Å | |
| C11 | C21 | sing | 1.51Å | 1.50Å | |
| C11 | C12 | sing | 1.41Å | 1.45Å | Aromatic |
| C19 | C3 | sing | 1.40Å | 1.38Å | Aromatic |
| N3 | C12 | sing | 1.38Å | 1.37Å | Aromatic |
| O2 | C23 | doub | 1.21Å | 1.25Å | |
| C23 | O1 | sing | 1.34Å | 1.25Å | |
| C12 | C14 | doub | 1.39Å | 1.38Å | Aromatic |
| C3 | N1 | doub | 1.33Å | 1.37Å | Aromatic |
| C3 | C2 | sing | 1.47Å | 1.46Å | Aromatic |
| N1 | C4 | sing | 1.33Å | 1.37Å | Aromatic |
| C36 | C2 | sing | 1.51Å | 1.50Å | |
| C14 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | C1 | doub | 1.35Å | 1.36Å | Aromatic |
| O3 | C26 | doub | 1.21Å | 1.25Å | |
| N2 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| N2 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | C5 | doub | 1.41Å | 1.43Å | Aromatic |
| C4 | C1 | sing | 1.47Å | 1.46Å | Aromatic |
| C4 | C9 | doub | 1.41Å | 1.39Å | Aromatic |
| O4 | C26 | sing | 1.34Å | 1.25Å | |
| C1 | C34 | sing | 1.51Å | 1.50Å | |
| C26 | C25 | sing | 1.51Å | 1.52Å | |
| C7 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C6 | doub | 1.41Å | 1.43Å | Aromatic |
| C5 | C6 | sing | 1.36Å | 1.38Å | Aromatic |
| C5 | C30 | sing | 1.51Å | 1.50Å | |
| C34 | C25 | sing | 1.53Å | 1.53Å | |
| C31 | C30 | sing | 1.53Å | 1.53Å | |
| C31 | C32 | sing | 1.51Å | 1.52Å | |
| C6 | C33 | sing | 1.51Å | 1.50Å | |
| O7 | C32 | doub | 1.21Å | 1.25Å | |
| C32 | O8 | sing | 1.34Å | 1.24Å | |
| C14 | H1 | sing | 1.09Å | 1.08Å | |
| C19 | H2 | sing | 1.09Å | 1.08Å | |
| C20 | H3 | sing | 1.09Å | 1.08Å | |
| C21 | H4 | sing | 1.09Å | 1.10Å | |
| C21 | H5 | sing | 1.09Å | 1.10Å | |
| C22 | H6 | sing | 1.09Å | 1.10Å | |
| C22 | H7 | sing | 1.09Å | 1.10Å | |
| C24 | H8 | sing | 1.09Å | 1.10Å | |
| C24 | H9 | sing | 1.09Å | 1.10Å | |
| C24 | H10 | sing | 1.09Å | 1.10Å | |
| C25 | H11 | sing | 1.09Å | 1.10Å | |
| C25 | H12 | sing | 1.09Å | 1.10Å | |
| C27 | H13 | sing | 1.09Å | 1.10Å | |
| C27 | H14 | sing | 1.09Å | 1.10Å | |
| C28 | H15 | sing | 1.09Å | 1.10Å | |
| C28 | H16 | sing | 1.09Å | 1.10Å | |
| C30 | H17 | sing | 1.09Å | 1.10Å | |
| C30 | H18 | sing | 1.09Å | 1.10Å | |
| C31 | H19 | sing | 1.09Å | 1.10Å | |
| C31 | H20 | sing | 1.09Å | 1.10Å | |
| C33 | H21 | sing | 1.09Å | 1.10Å | |
| C33 | H22 | sing | 1.09Å | 1.10Å | |
| C33 | H23 | sing | 1.09Å | 1.10Å | |
| C34 | H24 | sing | 1.09Å | 1.10Å | |
| C34 | H25 | sing | 1.09Å | 1.10Å | |
| C35 | H26 | sing | 1.09Å | 1.10Å | |
| C35 | H27 | sing | 1.09Å | 1.10Å | |
| C35 | H28 | sing | 1.09Å | 1.10Å | |
| C36 | H29 | sing | 1.09Å | 1.10Å | |
| C36 | H30 | sing | 1.09Å | 1.10Å | |
| C36 | H31 | sing | 1.09Å | 1.10Å | |
| C9 | H32 | sing | 1.09Å | 1.08Å | |
| N3 | H34 | sing | 0.97Å | 1.00Å | |
| O1 | H35 | sing | 0.97Å | 0.95Å | |
| O4 | H36 | sing | 0.97Å | 0.95Å | |
| O6 | H37 | sing | 0.97Å | 0.95Å | |
| O8 | H38 | sing | 0.97Å | 0.95Å | |
| N2 | H33 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C24 | C16 | C15 | 126.5° | 126.8° |
| C24 | C16 | C17 | 125.3° | 126.7° |
| C16 | C24 | H8 | 109.5° | 109.5° |
| C16 | C24 | H9 | 109.5° | 109.5° |
| C16 | C24 | H10 | 109.5° | 109.5° |
| C15 | C16 | C17 | 108.1° | 106.5° |
| C16 | C15 | C27 | 127.4° | 126.7° |
| C16 | C15 | C18 | 107.7° | 106.5° |
| C16 | C17 | C20 | 131.1° | 123.9° |
| C16 | C17 | N4 | 106.7° | 108.4° |
| C15 | C27 | C28 | 113.3° | 109.5° |
| C27 | C15 | C18 | 124.9° | 126.8° |
| C15 | C27 | H13 | 108.5° | 109.5° |
| C15 | C27 | H14 | 108.5° | 109.4° |
| C27 | C28 | C29 | 113.8° | 109.5° |
| C28 | C27 | H13 | 108.5° | 109.5° |
| C28 | C27 | H14 | 108.5° | 109.5° |
| C27 | C28 | H15 | 108.4° | 109.5° |
| C27 | C28 | H16 | 108.4° | 109.5° |
| C35 | C10 | C13 | 126.7° | 126.1° |
| C35 | C10 | C11 | 126.7° | 125.9° |
| C10 | C35 | H26 | 109.5° | 109.4° |
| C10 | C35 | H27 | 109.4° | 109.5° |
| C10 | C35 | H28 | 109.5° | 109.6° |
| C15 | C18 | N4 | 107.5° | 108.2° |
| C15 | C18 | C19 | 127.7° | 123.5° |
| C17 | C20 | C13 | 126.5° | 123.2° |
| C20 | C17 | N4 | 122.3° | 127.7° |
| C17 | C20 | H3 | 116.8° | 118.5° |
| C20 | C13 | C10 | 125.2° | 124.2° |
| C20 | C13 | N3 | 124.5° | 128.0° |
| C13 | C20 | H3 | 116.7° | 118.3° |
| C28 | C29 | O5 | 118.1° | 120.0° |
| C28 | C29 | O6 | 118.2° | 120.0° |
| C29 | C28 | H15 | 108.4° | 109.5° |
| C29 | C28 | H16 | 108.4° | 109.5° |
| C17 | N4 | C18 | 109.9° | 110.3° |
| O5 | C29 | O6 | 123.6° | 120.0° |
| C29 | O6 | H37 | 109.5° | 117.0° |
| C13 | C10 | C11 | 106.6° | 108.1° |
| C10 | C13 | N3 | 110.3° | 107.8° |
| C10 | C11 | C21 | 128.4° | 126.0° |
| C10 | C11 | C12 | 105.5° | 108.1° |
| C13 | N3 | C12 | 105.5° | 108.1° |
| C13 | N3 | H34 | 127.3° | 126.0° |
| N4 | C18 | C19 | 124.8° | 128.3° |
| C18 | C19 | C3 | 126.0° | 123.9° |
| C18 | C19 | H2 | 117.0° | 118.1° |
| C21 | C22 | C23 | 114.2° | 109.5° |
| C22 | C21 | C11 | 114.5° | 109.5° |
| C22 | C21 | H4 | 108.2° | 109.5° |
| C22 | C21 | H5 | 108.2° | 109.4° |
| C21 | C22 | H6 | 108.3° | 109.5° |
| C21 | C22 | H7 | 108.3° | 109.5° |
| C22 | C23 | O2 | 118.2° | 120.0° |
| C22 | C23 | O1 | 118.1° | 120.0° |
| C23 | C22 | H6 | 108.3° | 109.5° |
| C23 | C22 | H7 | 108.3° | 109.4° |
| C21 | C11 | C12 | 126.0° | 126.0° |
| C11 | C21 | H4 | 108.2° | 109.5° |
| C11 | C21 | H5 | 108.2° | 109.5° |
| C11 | C12 | N3 | 110.9° | 107.9° |
| C11 | C12 | C14 | 125.1° | 124.4° |
| C19 | C3 | N1 | 124.8° | 128.5° |
| C19 | C3 | C2 | 125.4° | 123.3° |
| C3 | C19 | H2 | 117.0° | 118.0° |
| N3 | C12 | C14 | 123.9° | 127.7° |
| C12 | N3 | H34 | 127.3° | 126.0° |
| O2 | C23 | O1 | 123.6° | 120.0° |
| C23 | O1 | H35 | 109.5° | 117.0° |
| C12 | C14 | C8 | 127.3° | 122.1° |
| C12 | C14 | H1 | 116.4° | 118.9° |
| N1 | C3 | C2 | 109.8° | 108.3° |
| C3 | N1 | C4 | 105.2° | 110.2° |
| C3 | C2 | C36 | 126.9° | 126.8° |
| C3 | C2 | C1 | 105.4° | 106.4° |
| N1 | C4 | C1 | 110.6° | 108.4° |
| N1 | C4 | C9 | 124.1° | 127.9° |
| C36 | C2 | C1 | 127.5° | 126.8° |
| C2 | C36 | H29 | 109.5° | 109.5° |
| C2 | C36 | H30 | 109.5° | 109.5° |
| C2 | C36 | H31 | 109.5° | 109.5° |
| C14 | C8 | N2 | 124.4° | 127.4° |
| C14 | C8 | C5 | 128.3° | 124.6° |
| C8 | C14 | H1 | 116.3° | 119.0° |
| C2 | C1 | C4 | 105.3° | 106.5° |
| C2 | C1 | C34 | 128.5° | 126.7° |
| O3 | C26 | O4 | 123.5° | 119.9° |
| O3 | C26 | C25 | 118.1° | 120.0° |
| C8 | N2 | C7 | 110.1° | 108.2° |
| N2 | C8 | C5 | 107.3° | 108.0° |
| C8 | N2 | H33 | 124.9° | 126.0° |
| N2 | C7 | C9 | 124.5° | 127.9° |
| N2 | C7 | C6 | 106.7° | 107.7° |
| C7 | N2 | H33 | 124.9° | 125.9° |
| C8 | C5 | C6 | 107.4° | 108.1° |
| C8 | C5 | C30 | 125.7° | 126.0° |
| C1 | C4 | C9 | 125.3° | 123.7° |
| C4 | C1 | C34 | 126.1° | 126.8° |
| C4 | C9 | C7 | 127.8° | 123.2° |
| C4 | C9 | H32 | 116.1° | 118.3° |
| O4 | C26 | C25 | 118.4° | 120.0° |
| C26 | O4 | H36 | 109.5° | 117.0° |
| C1 | C34 | C25 | 112.8° | 109.4° |
| C1 | C34 | H24 | 108.6° | 109.5° |
| C1 | C34 | H25 | 108.6° | 109.5° |
| C26 | C25 | C34 | 114.3° | 109.5° |
| C26 | C25 | H11 | 108.2° | 109.5° |
| C26 | C25 | H12 | 108.3° | 109.4° |
| C9 | C7 | C6 | 128.8° | 124.4° |
| C7 | C9 | H32 | 116.1° | 118.6° |
| C7 | C6 | C5 | 108.4° | 108.0° |
| C7 | C6 | C33 | 124.8° | 126.0° |
| C6 | C5 | C30 | 126.9° | 126.0° |
| C5 | C6 | C33 | 126.8° | 126.0° |
| C5 | C30 | C31 | 115.9° | 109.5° |
| C5 | C30 | H17 | 107.9° | 109.5° |
| C5 | C30 | H18 | 107.8° | 109.5° |
| C34 | C25 | H11 | 108.2° | 109.5° |
| C34 | C25 | H12 | 108.2° | 109.5° |
| C25 | C34 | H24 | 108.6° | 109.4° |
| C25 | C34 | H25 | 108.6° | 109.5° |
| C30 | C31 | C32 | 115.2° | 109.4° |
| C31 | C30 | H17 | 107.8° | 109.4° |
| C31 | C30 | H18 | 107.8° | 109.5° |
| C30 | C31 | H19 | 108.1° | 109.4° |
| C30 | C31 | H20 | 108.0° | 109.5° |
| C31 | C32 | O7 | 117.9° | 120.1° |
| C31 | C32 | O8 | 118.5° | 120.0° |
| C32 | C31 | H19 | 108.0° | 109.5° |
| C32 | C31 | H20 | 108.0° | 109.4° |
| C6 | C33 | H21 | 109.5° | 109.5° |
| C6 | C33 | H22 | 109.4° | 109.5° |
| C6 | C33 | H23 | 109.4° | 109.5° |
| O7 | C32 | O8 | 123.5° | 120.0° |
| C32 | O8 | H38 | 109.5° | 117.0° |
| H4 | C21 | H5 | 109.5° | 109.5° |
| H6 | C22 | H7 | 109.5° | 109.5° |
| H8 | C24 | H9 | 109.5° | 109.4° |
| H8 | C24 | H10 | 109.5° | 109.5° |
| H9 | C24 | H10 | 109.5° | 109.5° |
| H11 | C25 | H12 | 109.5° | 109.5° |
| H13 | C27 | H14 | 109.4° | 109.5° |
| H15 | C28 | H16 | 109.5° | 109.4° |
| H17 | C30 | H18 | 109.5° | 109.5° |
| H19 | C31 | H20 | 109.5° | 109.5° |
| H21 | C33 | H22 | 109.5° | 109.4° |
| H21 | C33 | H23 | 109.5° | 109.4° |
| H22 | C33 | H23 | 109.5° | 109.5° |
| H24 | C34 | H25 | 109.5° | 109.5° |
| H26 | C35 | H27 | 109.4° | 109.4° |
| H26 | C35 | H28 | 109.5° | 109.5° |
| H27 | C35 | H28 | 109.5° | 109.5° |
| H29 | C36 | H30 | 109.5° | 109.5° |
| H29 | C36 | H31 | 109.4° | 109.4° |
| H30 | C36 | H31 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C24 | C16 | C15 | C17 | 179.9° | 180.0° |
| C24 | C16 | C15 | C27 | 1.1° | 0.1° |
| C24 | C16 | C15 | C18 | 179.8° | 180.0° |
| C24 | C16 | C17 | C20 | 1.3° | 2.0° |
| C24 | C16 | C17 | N4 | 179.9° | 178.6° |
| C16 | C24 | H8 | H9 | 120.0° | 120.0° |
| C16 | C24 | H8 | H10 | 120.0° | 120.0° |
| C16 | C24 | H9 | H10 | 120.0° | 120.0° |
| C16 | C15 | C27 | C18 | 178.4° | 179.9° |
| C16 | C15 | C27 | C28 | 102.4° | 95.0° |
| C15 | C16 | C17 | C20 | 178.6° | 178.0° |
| C15 | C16 | C17 | N4 | 0.0° | 1.4° |
| C16 | C15 | C18 | N4 | 0.6° | 1.4° |
| C16 | C15 | C18 | C19 | 179.2° | 177.1° |
| C15 | C16 | C24 | H8 | 180.0° | 90.0° |
| C15 | C16 | C24 | H9 | 60.0° | 150.0° |
| C15 | C16 | C24 | H10 | 60.0° | 30.0° |
| C16 | C15 | C27 | H13 | 18.2° | 145.0° |
| C16 | C15 | C27 | H14 | 137.1° | 25.0° |
| C17 | C16 | C15 | C27 | 179.0° | 180.0° |
| C17 | C16 | C15 | C18 | 0.4° | 0.0° |
| C16 | C17 | C20 | N4 | 178.4° | 179.3° |
| C16 | C17 | C20 | C13 | 172.8° | 176.1° |
| C16 | C17 | N4 | C18 | 0.4° | 2.4° |
| C16 | C17 | C20 | H3 | 7.1° | 3.9° |
| C17 | C16 | C24 | H8 | 0.1° | 90.0° |
| C17 | C16 | C24 | H9 | 119.9° | 29.9° |
| C17 | C16 | C24 | H10 | 120.1° | 150.0° |
| C15 | C27 | C28 | H13 | 120.6° | 120.0° |
| C15 | C27 | C28 | H14 | 120.6° | 120.0° |
| C15 | C27 | C28 | C29 | 125.6° | 180.0° |
| C27 | C15 | C18 | N4 | 179.3° | 178.6° |
| C27 | C15 | C18 | C19 | 0.5° | 3.0° |
| C15 | C27 | H13 | H14 | 118.3° | 120.0° |
| C15 | C27 | C28 | H15 | 4.9° | 60.0° |
| C15 | C27 | C28 | H16 | 113.8° | 60.0° |
| C28 | C27 | C15 | C18 | 76.1° | 85.0° |
| C27 | C28 | C29 | H15 | 120.6° | 120.0° |
| C27 | C28 | C29 | H16 | 120.7° | 120.0° |
| C27 | C28 | C29 | O5 | 119.9° | 0.0° |
| C27 | C28 | C29 | O6 | 60.0° | 180.0° |
| C28 | C27 | H13 | H14 | 118.2° | 120.0° |
| C27 | C28 | H15 | H16 | 118.0° | 120.0° |
| C35 | C10 | C13 | C20 | 6.0° | 1.7° |
| C35 | C10 | C13 | C11 | 178.6° | 179.3° |
| C35 | C10 | C13 | N3 | 173.1° | 178.4° |
| C35 | C10 | C11 | C21 | 7.2° | 1.2° |
| C35 | C10 | C11 | C12 | 168.9° | 179.9° |
| C10 | C35 | H26 | H27 | 120.0° | 120.0° |
| C10 | C35 | H26 | H28 | 120.0° | 120.1° |
| C10 | C35 | H27 | H28 | 120.0° | 120.1° |
| C15 | C18 | N4 | C17 | 0.6° | 2.3° |
| C15 | C18 | N4 | C19 | 179.8° | 178.4° |
| C15 | C18 | C19 | C3 | 147.5° | 178.1° |
| C15 | C18 | C19 | H2 | 32.5° | 2.2° |
| C18 | C15 | C27 | H13 | 163.3° | 34.9° |
| C18 | C15 | C27 | H14 | 44.5° | 155.0° |
| C17 | C20 | C13 | H3 | 180.0° | 179.9° |
| C17 | C20 | C13 | C10 | 137.0° | 179.8° |
| C17 | C20 | C13 | N3 | 41.9° | 0.4° |
| C20 | C17 | N4 | C18 | 179.1° | 177.0° |
| C13 | C20 | C17 | N4 | 8.8° | 4.6° |
| C20 | C13 | C10 | N3 | 179.0° | 179.8° |
| C20 | C13 | C10 | C11 | 175.5° | 179.0° |
| C20 | C13 | N3 | C12 | 177.5° | 177.8° |
| C20 | C13 | N3 | H34 | 2.6° | 2.2° |
| C28 | C29 | O5 | O6 | 179.9° | 180.0° |
| C29 | C28 | C27 | H13 | 113.9° | 60.0° |
| C29 | C28 | C27 | H14 | 5.0° | 60.0° |
| C29 | C28 | H15 | H16 | 118.0° | 120.0° |
| C28 | C29 | O6 | H37 | 179.9° | 180.0° |
| C17 | N4 | C18 | C19 | 179.2° | 176.0° |
| N4 | C17 | C20 | H3 | 171.2° | 175.4° |
| O5 | C29 | C28 | H15 | 119.4° | 120.0° |
| O5 | C29 | C28 | H16 | 0.7° | 120.1° |
| O5 | C29 | O6 | H37 | 0.0° | 0.0° |
| O6 | C29 | C28 | H15 | 60.6° | 60.0° |
| O6 | C29 | C28 | H16 | 179.3° | 59.9° |
| C13 | C10 | C11 | C21 | 174.2° | 179.5° |
| C13 | C10 | C11 | C12 | 9.7° | 0.7° |
| C10 | C13 | N3 | C12 | 1.6° | 2.1° |
| C10 | C13 | C20 | H3 | 43.0° | 0.2° |
| C13 | C10 | C35 | H26 | 90.8° | 0.0° |
| C13 | C10 | C35 | H27 | 149.2° | 120.0° |
| C13 | C10 | C35 | H28 | 29.2° | 120.0° |
| C10 | C13 | N3 | H34 | 178.4° | 178.0° |
| C11 | C10 | C13 | N3 | 5.5° | 0.9° |
| C10 | C11 | C21 | C22 | 86.0° | 94.9° |
| C10 | C11 | C21 | C12 | 175.4° | 178.7° |
| C10 | C11 | C12 | N3 | 11.4° | 2.0° |
| C10 | C11 | C12 | C14 | 169.1° | 177.4° |
| C10 | C11 | C21 | H4 | 34.7° | 145.1° |
| C10 | C11 | C21 | H5 | 153.3° | 25.0° |
| C11 | C10 | C35 | H26 | 90.9° | 179.2° |
| C11 | C10 | C35 | H27 | 29.1° | 60.9° |
| C11 | C10 | C35 | H28 | 149.1° | 59.2° |
| C13 | N3 | C12 | C11 | 7.8° | 2.5° |
| C13 | N3 | C12 | H34 | 180.0° | 180.0° |
| C13 | N3 | C12 | C14 | 172.6° | 176.9° |
| N3 | C13 | C20 | H3 | 138.1° | 179.7° |
| N4 | C18 | C19 | C3 | 32.2° | 3.8° |
| N4 | C18 | C19 | H2 | 147.8° | 175.9° |
| C18 | C19 | C3 | H2 | 180.0° | 179.7° |
| C18 | C19 | C3 | N1 | 15.3° | 2.9° |
| C18 | C19 | C3 | C2 | 163.9° | 176.6° |
| C21 | C22 | C23 | H6 | 120.7° | 120.1° |
| C21 | C22 | C23 | H7 | 120.7° | 119.9° |
| C22 | C21 | C11 | H4 | 120.7° | 120.0° |
| C22 | C21 | C11 | H5 | 120.7° | 119.9° |
| C22 | C21 | C11 | C12 | 98.6° | 83.8° |
| C21 | C22 | C23 | O2 | 115.9° | 0.1° |
| C21 | C22 | C23 | O1 | 63.9° | 180.0° |
| C22 | C21 | H4 | H5 | 117.7° | 120.0° |
| C21 | C22 | H6 | H7 | 117.8° | 120.0° |
| C23 | C22 | C21 | C11 | 71.0° | NaN° |
| C22 | C23 | O2 | O1 | 179.8° | 180.0° |
| C23 | C22 | C21 | H4 | 168.2° | 60.0° |
| C23 | C22 | C21 | H5 | 49.7° | 60.0° |
| C23 | C22 | H6 | H7 | 117.9° | 119.9° |
| C22 | C23 | O1 | H35 | 179.8° | 180.0° |
| C21 | C11 | C12 | N3 | 172.4° | 179.2° |
| C21 | C11 | C12 | C14 | 7.2° | 1.4° |
| C11 | C21 | H4 | H5 | 117.7° | 120.0° |
| C11 | C21 | C22 | H6 | 168.3° | 60.0° |
| C11 | C21 | C22 | H7 | 49.7° | 60.1° |
| C11 | C12 | N3 | C14 | 179.6° | 179.4° |
| C11 | C12 | C14 | C8 | 156.1° | 178.1° |
| C11 | C12 | C14 | H1 | 23.9° | 1.5° |
| C12 | C11 | C21 | H4 | 140.7° | 36.3° |
| C12 | C11 | C21 | H5 | 22.1° | 156.3° |
| C11 | C12 | N3 | H34 | 172.1° | 177.5° |
| C19 | C3 | N1 | C2 | 179.3° | 179.5° |
| C19 | C3 | N1 | C4 | 166.8° | 177.2° |
| C19 | C3 | C2 | C36 | 16.8° | 1.7° |
| C19 | C3 | C2 | C1 | 159.7° | 178.3° |
| N3 | C12 | C14 | C8 | 24.4° | 2.6° |
| N3 | C12 | C14 | H1 | 155.6° | 177.7° |
| O2 | C23 | C22 | H6 | 123.4° | 120.0° |
| O2 | C23 | C22 | H7 | 4.8° | 120.0° |
| O2 | C23 | O1 | H35 | 0.0° | 0.0° |
| O1 | C23 | C22 | H6 | 56.8° | 59.9° |
| O1 | C23 | C22 | H7 | 175.4° | 60.0° |
| C12 | C14 | C8 | H1 | 180.0° | 179.6° |
| C12 | C14 | C8 | N2 | 6.4° | 2.1° |
| C12 | C14 | C8 | C5 | 174.8° | 178.5° |
| C14 | C12 | N3 | H34 | 7.4° | 3.1° |
| N1 | C3 | C2 | C36 | 163.9° | 177.8° |
| N1 | C3 | C2 | C1 | 19.7° | 2.1° |
| C3 | N1 | C4 | C1 | 1.4° | 3.2° |
| C3 | N1 | C4 | C9 | 177.9° | 175.9° |
| N1 | C3 | C19 | H2 | 164.7° | 177.5° |
| C2 | C3 | N1 | C4 | 12.6° | 3.3° |
| C3 | C2 | C36 | C1 | 175.7° | 180.0° |
| C3 | C2 | C1 | C4 | 17.5° | 0.2° |
| C3 | C2 | C1 | C34 | 162.3° | 180.0° |
| C2 | C3 | C19 | H2 | 16.1° | 3.1° |
| C3 | C2 | C36 | H29 | 180.0° | 90.0° |
| C3 | C2 | C36 | H30 | 60.0° | 30.0° |
| C3 | C2 | C36 | H31 | 60.0° | 150.0° |
| N1 | C4 | C1 | C2 | 10.8° | 1.7° |
| N1 | C4 | C1 | C9 | 179.3° | 179.2° |
| N1 | C4 | C1 | C34 | 169.0° | 178.1° |
| N1 | C4 | C9 | C7 | 5.2° | 4.5° |
| N1 | C4 | C9 | H32 | 174.8° | 175.6° |
| C36 | C2 | C1 | C4 | 166.1° | 179.7° |
| C36 | C2 | C1 | C34 | 14.1° | 0.1° |
| C2 | C36 | H29 | H30 | 120.0° | 120.0° |
| C2 | C36 | H29 | H31 | 120.0° | 120.0° |
| C2 | C36 | H30 | H31 | 120.0° | 120.0° |
| C14 | C8 | N2 | C5 | 179.0° | 179.5° |
| C14 | C8 | N2 | C7 | 179.2° | 176.9° |
| C14 | C8 | C5 | C6 | 179.2° | 177.8° |
| C14 | C8 | C5 | C30 | 0.3° | 2.2° |
| C14 | C8 | N2 | H33 | 0.7° | 3.2° |
| C2 | C1 | C4 | C34 | 179.8° | 179.8° |
| C2 | C1 | C4 | C9 | 169.9° | 177.4° |
| C2 | C1 | C34 | C25 | 90.8° | 95.1° |
| C2 | C1 | C34 | H24 | 29.7° | 145.0° |
| C2 | C1 | C34 | H25 | 148.7° | 24.9° |
| C1 | C2 | C36 | H29 | 4.4° | 90.0° |
| C1 | C2 | C36 | H30 | 115.6° | 150.0° |
| C1 | C2 | C36 | H31 | 124.4° | 29.9° |
| O3 | C26 | O4 | C25 | 179.5° | 179.9° |
| O3 | C26 | C25 | C34 | 116.5° | 0.0° |
| O3 | C26 | C25 | H11 | 4.2° | 120.0° |
| O3 | C26 | C25 | H12 | 122.7° | 120.1° |
| O3 | C26 | O4 | H36 | 0.0° | 0.1° |
| C8 | N2 | C7 | H33 | 180.0° | 179.9° |
| C8 | N2 | C7 | C9 | 179.9° | 177.2° |
| C8 | N2 | C7 | C6 | 0.1° | 2.5° |
| N2 | C8 | C5 | C6 | 0.2° | 1.7° |
| N2 | C8 | C5 | C30 | 179.3° | 178.3° |
| N2 | C8 | C14 | H1 | 173.6° | 177.6° |
| C7 | N2 | C8 | C5 | 0.2° | 2.6° |
| N2 | C7 | C9 | C4 | 10.3° | 1.3° |
| N2 | C7 | C9 | C6 | 180.0° | 179.7° |
| N2 | C7 | C6 | C5 | 0.0° | 1.5° |
| N2 | C7 | C6 | C33 | 179.5° | 178.5° |
| N2 | C7 | C9 | H32 | 169.7° | 178.6° |
| C8 | C5 | C6 | C7 | 0.2° | 0.1° |
| C8 | C5 | C6 | C30 | 179.5° | 180.0° |
| C8 | C5 | C30 | C31 | 66.0° | 90.0° |
| C8 | C5 | C6 | C33 | 179.7° | 179.9° |
| C5 | C8 | C14 | H1 | 5.2° | 1.8° |
| C8 | C5 | C30 | H17 | 173.1° | 150.0° |
| C8 | C5 | C30 | H18 | 54.9° | 30.0° |
| C5 | C8 | N2 | H33 | 179.7° | 177.3° |
| C1 | C4 | C9 | C7 | 175.6° | 176.5° |
| C4 | C1 | C34 | C25 | 88.9° | 84.7° |
| C4 | C1 | C34 | H24 | 150.5° | 35.3° |
| C4 | C1 | C34 | H25 | 31.5° | 155.3° |
| C1 | C4 | C9 | H32 | 4.4° | 3.4° |
| C9 | C4 | C1 | C34 | 10.3° | 2.8° |
| C4 | C9 | C7 | H32 | 180.0° | 179.9° |
| C4 | C9 | C7 | C6 | 169.7° | 179.0° |
| O4 | C26 | C25 | C34 | 64.0° | 180.0° |
| O4 | C26 | C25 | H11 | 175.3° | 60.0° |
| O4 | C26 | C25 | H12 | 56.8° | 60.0° |
| C1 | C34 | C25 | C26 | 56.8° | 180.0° |
| C1 | C34 | C25 | H24 | 120.5° | 120.0° |
| C1 | C34 | C25 | H25 | 120.5° | 120.0° |
| C1 | C34 | C25 | H11 | 63.9° | 60.0° |
| C1 | C34 | C25 | H12 | 177.6° | 60.0° |
| C1 | C34 | H24 | H25 | 118.5° | 120.0° |
| C26 | C25 | C34 | H11 | 120.7° | 120.0° |
| C26 | C25 | C34 | H12 | 120.7° | 120.0° |
| C26 | C25 | H11 | H12 | 117.8° | 119.9° |
| C26 | C25 | C34 | H24 | 63.7° | 60.0° |
| C26 | C25 | C34 | H25 | 177.3° | 60.0° |
| C25 | C26 | O4 | H36 | 179.4° | 180.0° |
| C9 | C7 | C6 | C5 | 180.0° | 178.3° |
| C9 | C7 | C6 | C33 | 0.4° | 1.7° |
| C9 | C7 | N2 | H33 | 0.1° | 2.9° |
| C7 | C6 | C5 | C33 | 179.5° | 180.0° |
| C7 | C6 | C5 | C30 | 179.3° | 179.9° |
| C7 | C6 | C33 | H21 | 89.8° | 90.0° |
| C7 | C6 | C33 | H22 | 150.2° | 29.9° |
| C7 | C6 | C33 | H23 | 30.3° | 150.0° |
| C6 | C7 | C9 | H32 | 10.3° | 1.1° |
| C6 | C7 | N2 | H33 | 179.8° | 177.4° |
| C6 | C5 | C30 | C31 | 114.5° | 90.0° |
| C6 | C5 | C30 | H17 | 6.4° | 30.0° |
| C6 | C5 | C30 | H18 | 124.5° | 150.0° |
| C5 | C6 | C33 | H21 | 89.7° | 90.0° |
| C5 | C6 | C33 | H22 | 30.3° | 150.0° |
| C5 | C6 | C33 | H23 | 150.3° | 30.0° |
| C5 | C30 | C31 | H17 | 120.9° | 120.0° |
| C5 | C30 | C31 | H18 | 120.9° | 120.0° |
| C5 | C30 | C31 | C32 | 70.6° | 180.0° |
| C30 | C5 | C6 | C33 | 0.2° | 0.1° |
| C5 | C30 | H17 | H18 | 117.1° | 120.0° |
| C5 | C30 | C31 | H19 | 168.6° | 60.0° |
| C5 | C30 | C31 | H20 | 50.2° | 60.0° |
| C34 | C25 | H11 | H12 | 117.8° | 120.1° |
| C25 | C34 | H24 | H25 | 118.5° | 120.0° |
| C30 | C31 | C32 | H19 | 120.9° | 120.0° |
| C30 | C31 | C32 | H20 | 120.8° | 120.0° |
| C30 | C31 | C32 | O7 | 178.6° | 0.1° |
| C30 | C31 | C32 | O8 | 2.1° | 180.0° |
| C31 | C30 | H17 | H18 | 117.1° | 120.0° |
| C30 | C31 | H19 | H20 | 117.4° | 120.0° |
| C31 | C32 | O7 | O8 | 179.3° | 179.9° |
| C32 | C31 | C30 | H17 | 50.3° | 60.0° |
| C32 | C31 | C30 | H18 | 168.5° | 60.0° |
| C32 | C31 | H19 | H20 | 117.4° | 120.0° |
| C31 | C32 | O8 | H38 | 179.3° | 180.0° |
| C6 | C33 | H21 | H22 | 120.0° | 120.0° |
| C6 | C33 | H21 | H23 | 120.0° | 120.0° |
| C6 | C33 | H22 | H23 | 119.9° | 120.0° |
| O7 | C32 | C31 | H19 | 60.5° | 119.9° |
| O7 | C32 | C31 | H20 | 57.8° | 120.0° |
| O7 | C32 | O8 | H38 | 0.0° | 0.1° |
| O8 | C32 | C31 | H19 | 118.8° | 60.0° |
| O8 | C32 | C31 | H20 | 122.9° | 60.1° |
| H4 | C21 | C22 | H6 | 47.5° | 180.0° |
| H4 | C21 | C22 | H7 | 71.1° | 59.9° |
| H5 | C21 | C22 | H6 | 71.0° | 60.0° |
| H5 | C21 | C22 | H7 | 170.4° | 180.0° |
| H8 | C24 | H9 | H10 | 120.0° | 120.0° |
| H11 | C25 | C34 | H24 | 175.6° | 60.0° |
| H11 | C25 | C34 | H25 | 56.6° | 180.0° |
| H12 | C25 | C34 | H24 | 57.0° | 180.0° |
| H12 | C25 | C34 | H25 | 62.0° | 60.0° |
| H13 | C27 | C28 | H15 | 125.5° | 179.9° |
| H13 | C27 | C28 | H16 | 6.8° | 60.0° |
| H14 | C27 | C28 | H15 | 115.6° | 60.0° |
| H14 | C27 | C28 | H16 | 125.6° | 179.9° |
| H17 | C30 | C31 | H19 | 70.5° | 60.0° |
| H17 | C30 | C31 | H20 | 171.1° | 180.0° |
| H18 | C30 | C31 | H19 | 47.6° | 180.0° |
| H18 | C30 | C31 | H20 | 70.7° | 60.0° |
| H21 | C33 | H22 | H23 | 120.0° | 120.0° |
| H26 | C35 | H27 | H28 | 120.0° | 119.9° |
| H29 | C36 | H30 | H31 | 120.0° | 119.9° |
