C1I
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N2 | sing | 1.47Å | 1.52Å | |
| N2 | C3 | sing | 1.47Å | 1.47Å | |
| N2 | C4 | sing | 1.47Å | 1.50Å | |
| C4 | C6 | sing | 1.53Å | 1.55Å | |
| C4 | C18 | sing | 1.53Å | 1.56Å | |
| C6 | C7 | sing | 1.51Å | 1.50Å | |
| C7 | C8 | sing | 1.55Å | 1.54Å | |
| C7 | O11 | sing | 1.45Å | 1.45Å | |
| C7 | C14 | sing | 1.50Å | 1.51Å | |
| C8 | C9 | sing | 1.55Å | 1.55Å | |
| C9 | C10 | sing | 1.54Å | 1.55Å | |
| C10 | O11 | sing | 1.44Å | 1.43Å | |
| C10 | C12 | sing | 1.52Å | 1.53Å | |
| C10 | C28 | sing | 1.50Å | 1.52Å | |
| C12 | C13 | sing | 1.48Å | 1.49Å | |
| C12 | C21 | doub | 1.32Å | 1.32Å | |
| C13 | C14 | doub | 1.34Å | 1.36Å | |
| C14 | C15 | sing | 1.50Å | 1.52Å | |
| C15 | O17 | sing | 1.43Å | 1.43Å | |
| C15 | C18 | sing | 1.53Å | 1.54Å | |
| C18 | O20 | sing | 1.43Å | 1.44Å | |
| C21 | C22 | sing | 1.50Å | 1.51Å | |
| C22 | C23 | sing | 1.51Å | 1.52Å | |
| C23 | C24 | sing | 1.53Å | 1.54Å | |
| C23 | C25 | sing | 1.53Å | 1.54Å | |
| C23 | C28 | sing | 1.55Å | 1.57Å | |
| C25 | C26 | sing | 1.55Å | 1.56Å | |
| C25 | C29 | sing | 1.51Å | 1.53Å | |
| C26 | C27 | sing | 1.55Å | 1.55Å | |
| C27 | C28 | sing | 1.53Å | 1.55Å | |
| C29 | C30 | sing | 1.36Å | 1.38Å | Aromatic |
| C29 | C38 | doub | 1.39Å | 1.41Å | Aromatic |
| C30 | C31 | doub | 1.40Å | 1.41Å | Aromatic |
| C31 | C32 | sing | 1.40Å | 1.41Å | Aromatic |
| C31 | C36 | sing | 1.42Å | 1.42Å | Aromatic |
| C32 | N33 | doub | 1.31Å | 1.32Å | Aromatic |
| N33 | C34 | sing | 1.33Å | 1.33Å | Aromatic |
| C34 | C35 | doub | 1.36Å | 1.37Å | Aromatic |
| C35 | C36 | sing | 1.41Å | 1.41Å | Aromatic |
| C36 | C37 | doub | 1.40Å | 1.41Å | Aromatic |
| C37 | C38 | sing | 1.36Å | 1.37Å | Aromatic |
| C1 | H11C | sing | 1.09Å | 1.10Å | |
| C1 | H12C | sing | 1.09Å | 1.10Å | |
| C1 | H13C | sing | 1.09Å | 1.10Å | |
| C3 | H31C | sing | 1.09Å | 1.10Å | |
| C3 | H32C | sing | 1.09Å | 1.10Å | |
| C3 | H33C | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H61C | sing | 1.09Å | 1.10Å | |
| C6 | H62C | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C8 | H81C | sing | 1.09Å | 1.10Å | |
| C8 | H82C | sing | 1.09Å | 1.10Å | |
| C9 | H91C | sing | 1.09Å | 1.10Å | |
| C9 | H92C | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| O17 | H17 | sing | 0.97Å | 0.95Å | |
| O20 | H20 | sing | 0.97Å | 0.95Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C24 | H243 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C38 | H38 | sing | 1.08Å | 1.08Å | |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| C37 | H37 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N2 | C3 | 109.7° | 111.0° |
| C1 | N2 | C4 | 114.0° | 111.0° |
| N2 | C1 | H11C | 109.5° | 109.5° |
| N2 | C1 | H12C | 109.4° | 109.5° |
| N2 | C1 | H13C | 109.5° | 109.5° |
| C3 | N2 | C4 | 111.9° | 111.0° |
| N2 | C3 | H31C | 109.5° | 109.5° |
| N2 | C3 | H32C | 109.5° | 109.5° |
| N2 | C3 | H33C | 109.5° | 109.5° |
| N2 | C4 | C6 | 124.9° | 109.5° |
| N2 | C4 | C18 | 109.0° | 109.6° |
| N2 | C4 | H4 | 99.8° | 109.5° |
| C6 | C4 | C18 | 118.0° | 108.9° |
| C4 | C6 | C7 | 114.1° | 112.0° |
| C6 | C4 | H4 | 99.4° | 109.6° |
| C4 | C6 | H61C | 108.3° | 109.0° |
| C4 | C6 | H62C | 108.3° | 108.9° |
| C4 | C18 | C15 | 111.9° | 108.4° |
| C4 | C18 | O20 | 110.4° | 109.6° |
| C18 | C4 | H4 | 99.3° | 109.7° |
| C4 | C18 | H18 | 107.7° | 109.7° |
| C6 | C7 | C8 | 112.9° | 110.6° |
| C6 | C7 | O11 | 104.7° | 109.3° |
| C6 | C7 | C14 | 116.1° | 114.6° |
| C7 | C6 | H61C | 108.3° | 109.0° |
| C7 | C6 | H62C | 108.3° | 109.0° |
| C8 | C7 | O11 | 102.6° | 104.3° |
| C8 | C7 | C14 | 108.7° | 109.1° |
| C7 | C8 | C9 | 102.5° | 103.6° |
| C7 | C8 | H81C | 111.2° | 110.6° |
| C7 | C8 | H82C | 111.2° | 110.6° |
| O11 | C7 | C14 | 111.0° | 108.5° |
| C7 | O11 | C10 | 104.7° | 103.1° |
| C7 | C14 | C13 | 117.6° | 119.1° |
| C7 | C14 | C15 | 121.3° | 122.8° |
| C8 | C9 | C10 | 104.1° | 103.2° |
| C9 | C8 | H81C | 111.2° | 110.7° |
| C9 | C8 | H82C | 111.2° | 110.6° |
| C8 | C9 | H91C | 110.8° | 110.6° |
| C8 | C9 | H92C | 110.8° | 110.7° |
| C9 | C10 | O11 | 104.9° | 105.2° |
| C9 | C10 | C12 | 108.7° | 109.1° |
| C9 | C10 | C28 | 120.2° | 113.2° |
| C10 | C9 | H91C | 110.8° | 110.7° |
| C10 | C9 | H92C | 110.8° | 110.7° |
| O11 | C10 | C12 | 103.7° | 106.9° |
| O11 | C10 | C28 | 107.7° | 113.1° |
| C12 | C10 | C28 | 110.2° | 109.1° |
| C10 | C12 | C13 | 116.1° | 116.7° |
| C10 | C12 | C21 | 121.9° | 122.2° |
| C10 | C28 | C23 | 112.6° | 107.6° |
| C10 | C28 | C27 | 118.6° | 115.3° |
| C10 | C28 | H28 | 107.0° | 110.0° |
| C13 | C12 | C21 | 122.0° | 121.0° |
| C12 | C13 | C14 | 119.0° | 118.2° |
| C12 | C13 | H13 | 120.5° | 120.9° |
| C12 | C21 | C22 | 125.3° | 124.9° |
| C12 | C21 | H21 | 117.3° | 117.6° |
| C13 | C14 | C15 | 121.0° | 118.0° |
| C14 | C13 | H13 | 120.5° | 120.9° |
| C14 | C15 | O17 | 111.9° | 109.2° |
| C14 | C15 | C18 | 113.6° | 110.6° |
| C14 | C15 | H15 | 108.1° | 109.3° |
| O17 | C15 | C18 | 106.1° | 109.2° |
| O17 | C15 | H15 | 109.2° | 109.2° |
| C15 | O17 | H17 | 109.5° | 114.0° |
| C15 | C18 | O20 | 109.5° | 109.6° |
| C15 | C18 | H18 | 108.0° | 109.7° |
| C18 | C15 | H15 | 107.8° | 109.2° |
| O20 | C18 | H18 | 109.3° | 109.8° |
| C18 | O20 | H20 | 109.5° | 114.0° |
| C21 | C22 | C23 | 113.5° | 110.2° |
| C22 | C21 | H21 | 117.3° | 117.6° |
| C21 | C22 | H221 | 108.4° | 109.4° |
| C21 | C22 | H222 | 108.5° | 109.4° |
| C22 | C23 | C24 | 109.7° | 109.6° |
| C22 | C23 | C25 | 117.1° | 116.2° |
| C22 | C23 | C28 | 107.9° | 109.0° |
| C23 | C22 | H221 | 108.5° | 109.4° |
| C23 | C22 | H222 | 108.5° | 109.3° |
| C24 | C23 | C25 | 110.0° | 109.5° |
| C24 | C23 | C28 | 113.4° | 109.5° |
| C23 | C24 | H241 | 109.5° | 109.4° |
| C23 | C24 | H242 | 109.5° | 109.5° |
| C23 | C24 | H243 | 109.5° | 109.5° |
| C25 | C23 | C28 | 98.4° | 102.8° |
| C23 | C25 | C26 | 103.0° | 105.5° |
| C23 | C25 | C29 | 115.6° | 110.2° |
| C23 | C25 | H25 | 107.5° | 110.2° |
| C23 | C28 | C27 | 104.8° | 102.2° |
| C23 | C28 | H28 | 106.4° | 110.0° |
| C26 | C25 | C29 | 115.5° | 110.3° |
| C25 | C26 | C27 | 106.3° | 106.5° |
| C26 | C25 | H25 | 107.2° | 110.3° |
| C25 | C26 | H261 | 110.3° | 110.1° |
| C25 | C26 | H262 | 110.3° | 110.0° |
| C25 | C29 | C30 | 124.0° | 119.5° |
| C25 | C29 | C38 | 116.9° | 119.5° |
| C29 | C25 | H25 | 107.6° | 110.3° |
| C26 | C27 | C28 | 103.8° | 102.5° |
| C27 | C26 | H261 | 110.3° | 110.1° |
| C27 | C26 | H262 | 110.3° | 110.0° |
| C26 | C27 | H271 | 110.8° | 110.7° |
| C26 | C27 | H272 | 110.9° | 110.6° |
| C27 | C28 | H28 | 106.7° | 111.3° |
| C28 | C27 | H271 | 110.9° | 110.4° |
| C28 | C27 | H272 | 110.8° | 111.6° |
| C30 | C29 | C38 | 119.1° | 121.1° |
| C29 | C30 | C31 | 120.3° | 119.6° |
| C29 | C30 | H30 | 119.9° | 120.2° |
| C29 | C38 | C37 | 122.1° | 121.0° |
| C29 | C38 | H38 | 118.9° | 119.5° |
| C30 | C31 | C32 | 121.7° | 122.1° |
| C30 | C31 | C36 | 119.9° | 119.3° |
| C31 | C30 | H30 | 119.9° | 120.2° |
| C32 | C31 | C36 | 118.4° | 118.6° |
| C31 | C32 | N33 | 120.1° | 119.9° |
| C31 | C32 | H32 | 119.9° | 120.1° |
| C31 | C36 | C35 | 118.3° | 118.2° |
| C31 | C36 | C37 | 118.9° | 119.6° |
| C32 | N33 | C34 | 122.6° | 122.8° |
| N33 | C32 | H32 | 120.0° | 120.1° |
| N33 | C34 | C35 | 121.7° | 121.9° |
| N33 | C34 | H34 | 119.2° | 119.1° |
| C34 | C35 | C36 | 118.9° | 118.6° |
| C35 | C34 | H34 | 119.2° | 119.0° |
| C34 | C35 | H35 | 120.6° | 120.7° |
| C35 | C36 | C37 | 122.9° | 122.2° |
| C36 | C35 | H35 | 120.5° | 120.7° |
| C36 | C37 | C38 | 119.7° | 119.5° |
| C36 | C37 | H37 | 120.1° | 120.3° |
| C37 | C38 | H38 | 118.9° | 119.5° |
| C38 | C37 | H37 | 120.2° | 120.2° |
| H11C | C1 | H12C | 109.5° | 109.4° |
| H11C | C1 | H13C | 109.5° | 109.4° |
| H12C | C1 | H13C | 109.5° | 109.5° |
| H31C | C3 | H32C | 109.5° | 109.5° |
| H31C | C3 | H33C | 109.5° | 109.5° |
| H32C | C3 | H33C | 109.4° | 109.5° |
| H61C | C6 | H62C | 109.5° | 108.9° |
| H81C | C8 | H82C | 109.5° | 110.7° |
| H91C | C9 | H92C | 109.5° | 110.7° |
| H221 | C22 | H222 | 109.5° | 109.2° |
| H241 | C24 | H242 | 109.5° | 109.5° |
| H241 | C24 | H243 | 109.5° | 109.5° |
| H242 | C24 | H243 | 109.5° | 109.5° |
| H261 | C26 | H262 | 109.4° | 110.1° |
| H271 | C27 | H272 | 109.5° | 110.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N2 | C3 | C4 | 127.6° | 124.0° |
| C1 | N2 | C4 | C6 | 82.3° | 50.4° |
| C1 | N2 | C4 | C18 | 65.4° | 69.0° |
| N2 | C1 | H11C | H12C | 120.0° | 120.0° |
| N2 | C1 | H11C | H13C | 120.0° | 120.0° |
| N2 | C1 | H12C | H13C | 120.0° | 120.0° |
| C1 | N2 | C3 | H31C | 180.0° | 59.9° |
| C1 | N2 | C3 | H32C | 60.0° | 180.0° |
| C1 | N2 | C3 | H33C | 60.0° | 60.0° |
| C1 | N2 | C4 | H4 | 168.9° | 170.6° |
| C3 | N2 | C4 | C6 | 42.9° | 73.6° |
| C3 | N2 | C4 | C18 | 169.4° | 167.0° |
| C3 | N2 | C1 | H11C | 180.0° | 64.8° |
| C3 | N2 | C1 | H12C | 60.0° | 175.2° |
| C3 | N2 | C1 | H13C | 60.0° | 55.2° |
| N2 | C3 | H31C | H32C | 120.0° | 120.0° |
| N2 | C3 | H31C | H33C | 120.0° | 120.0° |
| N2 | C3 | H32C | H33C | 120.0° | 120.0° |
| C3 | N2 | C4 | H4 | 65.9° | 46.6° |
| N2 | C4 | C6 | C18 | 145.1° | 119.8° |
| N2 | C4 | C6 | H4 | 109.0° | 120.2° |
| N2 | C4 | C18 | H4 | 103.8° | 120.3° |
| N2 | C4 | C6 | C7 | 173.6° | 179.6° |
| N2 | C4 | C18 | C15 | 164.0° | 171.4° |
| N2 | C4 | C18 | O20 | 41.8° | 51.7° |
| C4 | N2 | C1 | H11C | 53.6° | 171.3° |
| C4 | N2 | C1 | H12C | 66.4° | 51.3° |
| C4 | N2 | C1 | H13C | 173.6° | 68.8° |
| C4 | N2 | C3 | H31C | 52.4° | 64.0° |
| C4 | N2 | C3 | H32C | 172.4° | 56.0° |
| C4 | N2 | C3 | H33C | 67.6° | 176.0° |
| N2 | C4 | C6 | H61C | 52.9° | 59.7° |
| N2 | C4 | C6 | H62C | 65.7° | 59.0° |
| N2 | C4 | C18 | H18 | 77.5° | 68.9° |
| C6 | C4 | C18 | H4 | 106.0° | 119.9° |
| C4 | C6 | C7 | H61C | 120.7° | 120.7° |
| C4 | C6 | C7 | H62C | 120.7° | 120.6° |
| C4 | C6 | C7 | C8 | 93.5° | 87.8° |
| C4 | C6 | C7 | O11 | 155.8° | 157.9° |
| C4 | C6 | C7 | C14 | 33.0° | 36.0° |
| C6 | C4 | C18 | C15 | 45.7° | 68.9° |
| C6 | C4 | C18 | O20 | 168.0° | 171.5° |
| C4 | C6 | H61C | H62C | 117.9° | 118.8° |
| C6 | C4 | C18 | H18 | 72.8° | 50.8° |
| C18 | C4 | C6 | C7 | 41.3° | 59.8° |
| C4 | C18 | C15 | C14 | 41.7° | 52.7° |
| C4 | C18 | C15 | O17 | 165.1° | 173.0° |
| C4 | C18 | C15 | O20 | 122.8° | 119.6° |
| C4 | C18 | C15 | H18 | 118.4° | 119.7° |
| C4 | C18 | O20 | H18 | 118.3° | 120.5° |
| C18 | C4 | C6 | H61C | 161.9° | 179.5° |
| C18 | C4 | C6 | H62C | 79.4° | 60.8° |
| C4 | C18 | C15 | H15 | 78.0° | 67.6° |
| C4 | C18 | O20 | H20 | 180.0° | 180.0° |
| C6 | C7 | C8 | O11 | 112.1° | 117.4° |
| C6 | C7 | C8 | C14 | 130.3° | 126.9° |
| C6 | C7 | O11 | C14 | 126.0° | 125.6° |
| C6 | C7 | C8 | C9 | 147.5° | 143.6° |
| C6 | C7 | O11 | C10 | 165.4° | 162.3° |
| C6 | C7 | C14 | C13 | 148.8° | 158.1° |
| C6 | C7 | C14 | C15 | 33.6° | 23.4° |
| C7 | C6 | C4 | H4 | 64.6° | 60.2° |
| C7 | C6 | H61C | H62C | 117.9° | 118.8° |
| C6 | C7 | C8 | H81C | 93.6° | 97.8° |
| C6 | C7 | C8 | H82C | 28.7° | 25.1° |
| C8 | C7 | O11 | C14 | 116.0° | 116.2° |
| C7 | C8 | C9 | H81C | 118.9° | 118.5° |
| C7 | C8 | C9 | H82C | 118.9° | 118.5° |
| C7 | C8 | C9 | C10 | 12.1° | 0.1° |
| C8 | C7 | O11 | C10 | 47.4° | 44.0° |
| C8 | C7 | C14 | C13 | 82.7° | 77.4° |
| C8 | C7 | C14 | C15 | 95.0° | 101.2° |
| C8 | C7 | C6 | H61C | 27.2° | 32.9° |
| C8 | C7 | C6 | H62C | 145.9° | 151.6° |
| C7 | C8 | H81C | H82C | 123.3° | 122.9° |
| C7 | C8 | C9 | H91C | 107.1° | 118.5° |
| C7 | C8 | C9 | H92C | 131.2° | 118.4° |
| O11 | C7 | C8 | C9 | 35.5° | 26.2° |
| C7 | O11 | C10 | C9 | 39.4° | 44.5° |
| C7 | O11 | C10 | C12 | 74.7° | 71.4° |
| C7 | O11 | C10 | C28 | 168.5° | 168.5° |
| O11 | C7 | C14 | C13 | 29.4° | 35.7° |
| O11 | C7 | C14 | C15 | 152.9° | 145.8° |
| O11 | C7 | C6 | H61C | 83.6° | 81.4° |
| O11 | C7 | C6 | H62C | 35.1° | 37.4° |
| O11 | C7 | C8 | H81C | 154.3° | 144.8° |
| O11 | C7 | C8 | H82C | 83.4° | 92.3° |
| C14 | C7 | C8 | C9 | 82.1° | 89.5° |
| C14 | C7 | O11 | C10 | 68.6° | 72.2° |
| C7 | C14 | C13 | C12 | 0.8° | 0.7° |
| C7 | C14 | C13 | C15 | 177.7° | 178.6° |
| C7 | C14 | C15 | O17 | 158.2° | 152.2° |
| C7 | C14 | C15 | C18 | 38.1° | 31.9° |
| C14 | C7 | C6 | H61C | 153.7° | 156.7° |
| C14 | C7 | C6 | H62C | 87.6° | 84.6° |
| C14 | C7 | C8 | H81C | 36.7° | 29.0° |
| C14 | C7 | C8 | H82C | 159.0° | 152.0° |
| C7 | C14 | C13 | H13 | 179.2° | 179.3° |
| C7 | C14 | C15 | H15 | 81.5° | 88.3° |
| C8 | C9 | C10 | H91C | 119.1° | 118.4° |
| C8 | C9 | C10 | H92C | 119.2° | 118.5° |
| C8 | C9 | C10 | O11 | 15.6° | 26.8° |
| C8 | C9 | C10 | C12 | 94.8° | 87.5° |
| C8 | C9 | C10 | C28 | 137.0° | 150.8° |
| C9 | C8 | H81C | H82C | 123.2° | 122.9° |
| C8 | C9 | H91C | H92C | 122.5° | 123.1° |
| C9 | C10 | O11 | C12 | 114.0° | 115.8° |
| C9 | C10 | O11 | C28 | 129.2° | 124.0° |
| C9 | C10 | C12 | C28 | 133.7° | 124.1° |
| C9 | C10 | C12 | C13 | 64.5° | 76.9° |
| C9 | C10 | C12 | C21 | 114.4° | 103.0° |
| C9 | C10 | C28 | C23 | 78.1° | 66.9° |
| C9 | C10 | C28 | C27 | 44.9° | 46.4° |
| C10 | C9 | C8 | H81C | 130.9° | 118.4° |
| C10 | C9 | C8 | H82C | 106.8° | 118.6° |
| C10 | C9 | H91C | H92C | 122.5° | 123.1° |
| C9 | C10 | C28 | H28 | 165.4° | 173.2° |
| O11 | C10 | C12 | C28 | 115.1° | 122.7° |
| O11 | C10 | C12 | C13 | 46.8° | 36.3° |
| O11 | C10 | C12 | C21 | 134.3° | 143.7° |
| O11 | C10 | C28 | C23 | 162.0° | 173.6° |
| O11 | C10 | C28 | C27 | 75.1° | 73.2° |
| O11 | C10 | C9 | H91C | 134.8° | 145.1° |
| O11 | C10 | C9 | H92C | 103.5° | 91.7° |
| O11 | C10 | C28 | H28 | 45.5° | 53.7° |
| C10 | C12 | C13 | C21 | 179.0° | 180.0° |
| C10 | C12 | C13 | C14 | 10.1° | 0.4° |
| C10 | C12 | C21 | C22 | 1.0° | 1.9° |
| C12 | C10 | C28 | C23 | 49.5° | 54.7° |
| C12 | C10 | C28 | C27 | 172.5° | 168.0° |
| C12 | C10 | C9 | H91C | 24.3° | 30.8° |
| C12 | C10 | C9 | H92C | 146.0° | 153.9° |
| C12 | C10 | C28 | H28 | 67.0° | 65.1° |
| C10 | C12 | C13 | H13 | 169.9° | 179.6° |
| C10 | C12 | C21 | H21 | 179.0° | 178.1° |
| C28 | C10 | C12 | C13 | 161.8° | 159.0° |
| C28 | C10 | C12 | C21 | 19.2° | 21.1° |
| C10 | C28 | C23 | C22 | 61.7° | 70.0° |
| C10 | C28 | C23 | C24 | 60.0° | 49.8° |
| C10 | C28 | C23 | C25 | 176.1° | 166.2° |
| C10 | C28 | C23 | C27 | 130.4° | 121.8° |
| C10 | C28 | C23 | H28 | 116.9° | 119.9° |
| C10 | C28 | C27 | C26 | 154.0° | 158.5° |
| C10 | C28 | C27 | H28 | 120.7° | 126.2° |
| C28 | C10 | C9 | H91C | 103.9° | 90.9° |
| C28 | C10 | C9 | H92C | 17.8° | 32.3° |
| C10 | C28 | C27 | H271 | 86.9° | 83.6° |
| C10 | C28 | C27 | H272 | 34.9° | 40.0° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 178.5° | 177.9° |
| C13 | C12 | C21 | C22 | 179.9° | 178.1° |
| C13 | C12 | C21 | H21 | 0.1° | 1.9° |
| C21 | C12 | C13 | C14 | 170.9° | 179.6° |
| C12 | C21 | C22 | H21 | 180.0° | 180.0° |
| C12 | C21 | C22 | C23 | 13.5° | 11.3° |
| C21 | C12 | C13 | H13 | 9.1° | 0.4° |
| C12 | C21 | C22 | H221 | 107.1° | 108.9° |
| C12 | C21 | C22 | H222 | 134.1° | 131.5° |
| C13 | C14 | C15 | O17 | 24.2° | 29.2° |
| C13 | C14 | C15 | C18 | 144.3° | 149.5° |
| C13 | C14 | C15 | H15 | 96.1° | 90.2° |
| C14 | C15 | O17 | C18 | 124.5° | 121.1° |
| C14 | C15 | O17 | H15 | 119.6° | 119.5° |
| C14 | C15 | C18 | H15 | 119.8° | 120.3° |
| C14 | C15 | C18 | O20 | 164.5° | 172.4° |
| C14 | C15 | C18 | H18 | 76.6° | 67.0° |
| C15 | C14 | C13 | H13 | 1.5° | 2.1° |
| C14 | C15 | O17 | H17 | 180.0° | 180.0° |
| O17 | C15 | C18 | H15 | 116.8° | 119.4° |
| O17 | C15 | C18 | O20 | 72.1° | 67.4° |
| O17 | C15 | C18 | H18 | 46.8° | 53.3° |
| C15 | C18 | O20 | H18 | 118.1° | 120.6° |
| C15 | C18 | C4 | H4 | 60.2° | 51.0° |
| C18 | C15 | O17 | H17 | 55.5° | 58.9° |
| C15 | C18 | O20 | H20 | 56.4° | 61.1° |
| O20 | C18 | C4 | H4 | 62.0° | 68.6° |
| O20 | C18 | C15 | H15 | 44.7° | 52.0° |
| C21 | C22 | C23 | H221 | 120.6° | 120.2° |
| C21 | C22 | C23 | H222 | 120.6° | 120.2° |
| C21 | C22 | C23 | C24 | 82.9° | 74.2° |
| C21 | C22 | C23 | C25 | 150.9° | 161.0° |
| C21 | C22 | C23 | C28 | 41.2° | 45.5° |
| C21 | C22 | H221 | H222 | 118.2° | 119.6° |
| C22 | C23 | C24 | C25 | 130.2° | 128.5° |
| C22 | C23 | C24 | C28 | 120.7° | 119.5° |
| C22 | C23 | C25 | C28 | 115.2° | 118.9° |
| C22 | C23 | C25 | C26 | 161.0° | 147.6° |
| C22 | C23 | C25 | C29 | 72.1° | 93.4° |
| C22 | C23 | C28 | C27 | 168.0° | 168.2° |
| C22 | C23 | C28 | H28 | 55.2° | 49.9° |
| C23 | C22 | C21 | H21 | 166.6° | 168.7° |
| C23 | C22 | H221 | H222 | 118.2° | 119.6° |
| C22 | C23 | C24 | H241 | 180.0° | 37.0° |
| C22 | C23 | C24 | H242 | 60.0° | 156.9° |
| C22 | C23 | C24 | H243 | 60.0° | 83.1° |
| C22 | C23 | C25 | H25 | 48.0° | 28.5° |
| C24 | C23 | C25 | C28 | 118.8° | 116.3° |
| C24 | C23 | C25 | C26 | 72.9° | 87.7° |
| C24 | C23 | C25 | C29 | 53.9° | 31.3° |
| C24 | C23 | C28 | C27 | 70.3° | 72.0° |
| C24 | C23 | C28 | H28 | 176.9° | 169.7° |
| C24 | C23 | C22 | H221 | 156.6° | 165.5° |
| C24 | C23 | C22 | H222 | 37.8° | 46.0° |
| C23 | C24 | H241 | H242 | 120.0° | 120.0° |
| C23 | C24 | H241 | H243 | 120.0° | 120.0° |
| C23 | C24 | H242 | H243 | 120.0° | 120.0° |
| C24 | C23 | C25 | H25 | 174.0° | 153.3° |
| C23 | C25 | C26 | C29 | 126.9° | 119.0° |
| C23 | C25 | C26 | H25 | 113.2° | 119.0° |
| C23 | C25 | C29 | H25 | 120.1° | 121.9° |
| C23 | C25 | C26 | C27 | 30.8° | 2.8° |
| C25 | C23 | C28 | C27 | 45.8° | 44.4° |
| C23 | C25 | C29 | C30 | 109.7° | 106.1° |
| C23 | C25 | C29 | C38 | 72.8° | 73.6° |
| C25 | C23 | C28 | H28 | 67.0° | 73.9° |
| C25 | C23 | C22 | H221 | 30.4° | 40.8° |
| C25 | C23 | C22 | H222 | 88.5° | 78.8° |
| C25 | C23 | C24 | H241 | 49.8° | 165.5° |
| C25 | C23 | C24 | H242 | 70.2° | 74.5° |
| C25 | C23 | C24 | H243 | 169.8° | 45.5° |
| C23 | C25 | C26 | H261 | 150.3° | 122.1° |
| C23 | C25 | C26 | H262 | 88.7° | 116.4° |
| C28 | C23 | C25 | C26 | 45.9° | 28.7° |
| C28 | C23 | C25 | C29 | 172.7° | 147.7° |
| C23 | C28 | C27 | C26 | 27.3° | 42.1° |
| C23 | C28 | C27 | H28 | 112.5° | 117.4° |
| C28 | C23 | C22 | H221 | 79.4° | 74.7° |
| C28 | C23 | C22 | H222 | 161.8° | 165.8° |
| C28 | C23 | C24 | H241 | 59.3° | 82.5° |
| C28 | C23 | C24 | H242 | 179.3° | 37.5° |
| C28 | C23 | C24 | H243 | 60.7° | 157.5° |
| C28 | C23 | C25 | H25 | 67.2° | 90.3° |
| C23 | C28 | C27 | H271 | 146.4° | 160.0° |
| C23 | C28 | C27 | H272 | 91.8° | 76.4° |
| C26 | C25 | C29 | H25 | 119.7° | 122.0° |
| C25 | C26 | C27 | H261 | 119.5° | 119.3° |
| C25 | C26 | C27 | H262 | 119.5° | 119.2° |
| C25 | C26 | C27 | C28 | 1.8° | 24.5° |
| C26 | C25 | C29 | C30 | 10.6° | 137.8° |
| C26 | C25 | C29 | C38 | 166.9° | 42.5° |
| C25 | C26 | H261 | H262 | 121.5° | 121.5° |
| C25 | C26 | C27 | H271 | 117.2° | 142.2° |
| C25 | C26 | C27 | H272 | 120.9° | 94.6° |
| C29 | C25 | C26 | C27 | 157.7° | 121.8° |
| C25 | C29 | C30 | C38 | 177.4° | 179.7° |
| C25 | C29 | C30 | C31 | 178.8° | 180.0° |
| C25 | C29 | C38 | C37 | 179.1° | 179.7° |
| C29 | C25 | C26 | H261 | 82.8° | 118.9° |
| C29 | C25 | C26 | H262 | 38.2° | 2.6° |
| C25 | C29 | C30 | H30 | 1.3° | 0.0° |
| C25 | C29 | C38 | H38 | 0.9° | 0.1° |
| C26 | C27 | C28 | H271 | 119.1° | 117.9° |
| C26 | C27 | C28 | H272 | 119.1° | 118.4° |
| C26 | C27 | C28 | H28 | 85.2° | 75.3° |
| C27 | C26 | C25 | H25 | 82.4° | 116.2° |
| C27 | C26 | H261 | H262 | 121.5° | 121.5° |
| C26 | C27 | H271 | H272 | 122.7° | 123.1° |
| C28 | C27 | C26 | H261 | 121.3° | 94.8° |
| C28 | C27 | C26 | H262 | 117.7° | 143.7° |
| C28 | C27 | H271 | H272 | 122.6° | 124.1° |
| C29 | C30 | C31 | H30 | 180.0° | 180.0° |
| C29 | C30 | C31 | C32 | 179.4° | 180.0° |
| C29 | C30 | C31 | C36 | 0.7° | 0.0° |
| C30 | C29 | C38 | C37 | 1.5° | 0.6° |
| C30 | C29 | C25 | H25 | 130.2° | 15.8° |
| C30 | C29 | C38 | H38 | 178.5° | 179.8° |
| C38 | C29 | C30 | C31 | 1.4° | 0.3° |
| C29 | C38 | C37 | C36 | 0.9° | 0.6° |
| C29 | C38 | C37 | H38 | 180.0° | 179.6° |
| C38 | C29 | C25 | H25 | 47.2° | 164.5° |
| C38 | C29 | C30 | H30 | 178.7° | 179.7° |
| C29 | C38 | C37 | H37 | 179.1° | 179.7° |
| C30 | C31 | C32 | C36 | 179.9° | 180.0° |
| C30 | C31 | C32 | N33 | 179.7° | 180.0° |
| C30 | C31 | C36 | C35 | 180.0° | 180.0° |
| C30 | C31 | C36 | C37 | 0.1° | 0.0° |
| C30 | C31 | C32 | H32 | 0.3° | 0.0° |
| C31 | C32 | N33 | H32 | 180.0° | 180.0° |
| C31 | C32 | N33 | C34 | 0.6° | 0.0° |
| C32 | C31 | C36 | C35 | 0.0° | 0.0° |
| C32 | C31 | C36 | C37 | 180.0° | 180.0° |
| C32 | C31 | C30 | H30 | 0.6° | 0.0° |
| C36 | C31 | C32 | N33 | 0.3° | 0.0° |
| C31 | C36 | C35 | C34 | 0.0° | 0.0° |
| C31 | C36 | C35 | C37 | 179.9° | 180.0° |
| C31 | C36 | C37 | C38 | 0.2° | 0.3° |
| C36 | C31 | C30 | H30 | 179.3° | 180.0° |
| C36 | C31 | C32 | H32 | 179.7° | 180.0° |
| C31 | C36 | C35 | H35 | 180.0° | 179.9° |
| C31 | C36 | C37 | H37 | 179.8° | 180.0° |
| C32 | N33 | C34 | C35 | 0.6° | 0.0° |
| C32 | N33 | C34 | H34 | 179.4° | 180.0° |
| N33 | C34 | C35 | H34 | 180.0° | 180.0° |
| N33 | C34 | C35 | C36 | 0.3° | 0.0° |
| C34 | N33 | C32 | H32 | 179.4° | 180.0° |
| N33 | C34 | C35 | H35 | 179.7° | 179.9° |
| C34 | C35 | C36 | H35 | 180.0° | 180.0° |
| C34 | C35 | C36 | C37 | 179.9° | 180.0° |
| C35 | C36 | C37 | C38 | 179.9° | 179.7° |
| C36 | C35 | C34 | H34 | 179.7° | 180.0° |
| C35 | C36 | C37 | H37 | 0.1° | 0.0° |
| C36 | C37 | C38 | H37 | 180.0° | 179.7° |
| C36 | C37 | C38 | H38 | 179.1° | 179.8° |
| C37 | C36 | C35 | H35 | 0.0° | 0.0° |
| H11C | C1 | H12C | H13C | 120.0° | 120.0° |
| H31C | C3 | H32C | H33C | 120.0° | 120.0° |
| H4 | C4 | C6 | H61C | 56.0° | 60.5° |
| H4 | C4 | C6 | H62C | 174.7° | 179.2° |
| H4 | C4 | C18 | H18 | 178.8° | 170.8° |
| H18 | C18 | C15 | H15 | 163.6° | 172.7° |
| H18 | C18 | O20 | H20 | 61.7° | 59.5° |
| H81C | C8 | C9 | H91C | 11.8° | 0.0° |
| H81C | C8 | C9 | H92C | 109.9° | 123.1° |
| H82C | C8 | C9 | H91C | 134.1° | 123.0° |
| H82C | C8 | C9 | H92C | 12.3° | 0.1° |
| H28 | C28 | C27 | H271 | 33.8° | 42.6° |
| H28 | C28 | C27 | H272 | 155.6° | 166.3° |
| H21 | C21 | C22 | H221 | 72.9° | 71.0° |
| H21 | C21 | C22 | H222 | 45.9° | 48.5° |
| H15 | C15 | O17 | H17 | 60.4° | 60.5° |
| H241 | C24 | H242 | H243 | 120.0° | 120.0° |
| H25 | C25 | C26 | H261 | 37.1° | 3.1° |
| H25 | C25 | C26 | H262 | 158.1° | 124.6° |
| H261 | C26 | C27 | H271 | 2.3° | 23.0° |
| H261 | C26 | C27 | H272 | 119.6° | 146.1° |
| H262 | C26 | C27 | H271 | 123.3° | 98.5° |
| H262 | C26 | C27 | H272 | 1.4° | 24.6° |
| H38 | C38 | C37 | H37 | 0.9° | 0.1° |
| H34 | C34 | C35 | H35 | 0.3° | 0.0° |
