XTO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C2 | doub | 1.21Å | 1.23Å | |
| C2 | N3 | sing | 1.35Å | 1.45Å | |
| C2 | C23 | sing | 1.51Å | 1.55Å | |
| N3 | C4 | sing | 1.47Å | 1.49Å | |
| N3 | C22 | sing | 1.47Å | 1.47Å | |
| C4 | C5 | sing | 1.53Å | 1.56Å | |
| C5 | C6 | sing | 1.53Å | 1.56Å | |
| C6 | S7 | sing | 1.81Å | 1.78Å | |
| C6 | C21 | sing | 1.53Å | 1.57Å | |
| S7 | C8 | sing | 1.76Å | 1.74Å | |
| S7 | O19 | doub | 1.42Å | 1.40Å | |
| S7 | O20 | doub | 1.42Å | 1.39Å | |
| C8 | C9 | doub | 1.38Å | 1.41Å | Aromatic |
| C8 | C18 | sing | 1.38Å | 1.42Å | Aromatic |
| C9 | F10 | sing | 1.35Å | 1.34Å | |
| C9 | C11 | sing | 1.38Å | 1.45Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.41Å | Aromatic |
| C12 | S13 | sing | 1.76Å | 1.81Å | |
| C12 | C17 | sing | 1.38Å | 1.42Å | Aromatic |
| S13 | O14 | doub | 1.42Å | 1.44Å | |
| S13 | N15 | sing | 1.66Å | 1.66Å | |
| S13 | O16 | doub | 1.42Å | 1.46Å | |
| C17 | C18 | doub | 1.38Å | 1.44Å | Aromatic |
| C21 | C22 | sing | 1.53Å | 1.56Å | |
| C23 | C24 | sing | 1.53Å | 1.54Å | |
| C24 | C25 | sing | 1.51Å | 1.51Å | |
| C25 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | C30 | sing | 1.38Å | 1.42Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.36Å | Aromatic |
| C27 | C28 | doub | 1.38Å | 1.38Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 1.41Å | Aromatic |
| C28 | C38 | sing | 1.51Å | 1.52Å | |
| C29 | C30 | doub | 1.38Å | 1.38Å | Aromatic |
| C30 | C31 | sing | 1.51Å | 1.50Å | |
| C31 | N32 | sing | 1.47Å | 1.45Å | |
| N32 | N33 | sing | 1.29Å | 1.36Å | Aromatic |
| N32 | N36 | sing | 1.29Å | 1.35Å | Aromatic |
| N33 | N34 | doub | 1.29Å | 1.30Å | Aromatic |
| N34 | C35 | sing | 1.33Å | 1.41Å | Aromatic |
| C35 | N36 | doub | 1.31Å | 1.36Å | Aromatic |
| C35 | C37 | sing | 1.51Å | 1.46Å | |
| C38 | F39 | sing | 1.40Å | 1.33Å | |
| C38 | F40 | sing | 1.40Å | 1.35Å | |
| C38 | F41 | sing | 1.40Å | 1.34Å | |
| C11 | H47 | sing | 1.08Å | 1.08Å | |
| C17 | H50 | sing | 1.08Å | 1.08Å | |
| C18 | H51 | sing | 1.08Å | 1.08Å | |
| C21 | H52 | sing | 1.09Å | 1.10Å | |
| C21 | H53 | sing | 1.09Å | 1.10Å | |
| C22 | H55 | sing | 1.09Å | 1.10Å | |
| C22 | H54 | sing | 1.09Å | 1.10Å | |
| C23 | H57 | sing | 1.09Å | 1.10Å | |
| C23 | H56 | sing | 1.09Å | 1.10Å | |
| C24 | H58 | sing | 1.09Å | 1.10Å | |
| C24 | H59 | sing | 1.09Å | 1.10Å | |
| C26 | H60 | sing | 1.08Å | 1.08Å | |
| C27 | H61 | sing | 1.08Å | 1.08Å | |
| C4 | H42 | sing | 1.09Å | 1.10Å | |
| C4 | H43 | sing | 1.09Å | 1.10Å | |
| C5 | H44 | sing | 1.09Å | 1.10Å | |
| C5 | H45 | sing | 1.09Å | 1.10Å | |
| C6 | H46 | sing | 1.09Å | 1.10Å | |
| N15 | H49 | sing | 0.97Å | 1.00Å | |
| N15 | H48 | sing | 0.97Å | 1.00Å | |
| C29 | H62 | sing | 1.08Å | 1.08Å | |
| C31 | H64 | sing | 1.09Å | 1.10Å | |
| C31 | H63 | sing | 1.09Å | 1.10Å | |
| C37 | H65 | sing | 1.09Å | 1.10Å | |
| C37 | H67 | sing | 1.09Å | 1.10Å | |
| C37 | H66 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C2 | N3 | 119.2° | 120.0° |
| O1 | C2 | C23 | 120.3° | 119.9° |
| N3 | C2 | C23 | 120.5° | 120.0° |
| C2 | N3 | C4 | 124.5° | 120.6° |
| C2 | N3 | C22 | 126.6° | 120.6° |
| C2 | C23 | C24 | 113.5° | 109.5° |
| C2 | C23 | H57 | 108.5° | 109.4° |
| C2 | C23 | H56 | 108.5° | 109.5° |
| C4 | N3 | C22 | 108.8° | 118.8° |
| N3 | C4 | C5 | 107.7° | 108.8° |
| N3 | C4 | H42 | 109.9° | 109.6° |
| N3 | C4 | H43 | 109.9° | 109.6° |
| N3 | C22 | C21 | 108.5° | 108.7° |
| N3 | C22 | H55 | 109.7° | 109.6° |
| N3 | C22 | H54 | 109.7° | 109.7° |
| C4 | C5 | C6 | 108.8° | 109.3° |
| C5 | C4 | H42 | 109.9° | 109.6° |
| C5 | C4 | H43 | 109.9° | 109.6° |
| C4 | C5 | H44 | 109.6° | 109.5° |
| C4 | C5 | H45 | 109.7° | 109.5° |
| C5 | C6 | S7 | 114.2° | 109.4° |
| C5 | C6 | C21 | 108.9° | 109.5° |
| C6 | C5 | H44 | 109.7° | 109.5° |
| C6 | C5 | H45 | 109.6° | 109.5° |
| C5 | C6 | H46 | 106.7° | 109.4° |
| S7 | C6 | C21 | 115.1° | 109.5° |
| C6 | S7 | C8 | 114.5° | 104.4° |
| C6 | S7 | O19 | 104.6° | 110.5° |
| C6 | S7 | O20 | 107.1° | 110.5° |
| S7 | C6 | H46 | 104.7° | 109.5° |
| C6 | C21 | C22 | 111.8° | 109.3° |
| C6 | C21 | H52 | 108.9° | 109.5° |
| C6 | C21 | H53 | 108.9° | 109.5° |
| C21 | C6 | H46 | 106.6° | 109.4° |
| C8 | S7 | O19 | 109.3° | 104.3° |
| C8 | S7 | O20 | 103.2° | 104.3° |
| S7 | C8 | C9 | 123.5° | 120.0° |
| S7 | C8 | C18 | 122.4° | 120.0° |
| O19 | S7 | O20 | 118.6° | 121.1° |
| C9 | C8 | C18 | 114.0° | 120.0° |
| C8 | C9 | F10 | 117.3° | 120.0° |
| C8 | C9 | C11 | 125.1° | 119.9° |
| C8 | C18 | C17 | 121.7° | 120.0° |
| C8 | C18 | H51 | 119.1° | 120.0° |
| F10 | C9 | C11 | 117.5° | 120.1° |
| C9 | C11 | C12 | 120.0° | 120.0° |
| C9 | C11 | H47 | 120.0° | 120.0° |
| C11 | C12 | S13 | 122.1° | 120.0° |
| C11 | C12 | C17 | 115.4° | 120.0° |
| C12 | C11 | H47 | 120.0° | 120.0° |
| S13 | C12 | C17 | 122.4° | 120.0° |
| C12 | S13 | O14 | 103.5° | 106.4° |
| C12 | S13 | N15 | 104.6° | 107.2° |
| C12 | S13 | O16 | 110.3° | 106.4° |
| C12 | C17 | C18 | 123.7° | 120.0° |
| C12 | C17 | H50 | 118.2° | 119.9° |
| O14 | S13 | N15 | 109.8° | 106.4° |
| O14 | S13 | O16 | 119.2° | 123.1° |
| N15 | S13 | O16 | 108.5° | 106.4° |
| S13 | N15 | H49 | 109.5° | 120.0° |
| S13 | N15 | H48 | 109.4° | 120.0° |
| C18 | C17 | H50 | 118.1° | 120.0° |
| C17 | C18 | H51 | 119.1° | 119.9° |
| C22 | C21 | H52 | 108.9° | 109.5° |
| C22 | C21 | H53 | 108.9° | 109.5° |
| C21 | C22 | H55 | 109.7° | 109.6° |
| C21 | C22 | H54 | 109.7° | 109.6° |
| C23 | C24 | C25 | 111.2° | 109.5° |
| C24 | C23 | H57 | 108.5° | 109.5° |
| C24 | C23 | H56 | 108.4° | 109.5° |
| C23 | C24 | H58 | 109.0° | 109.5° |
| C23 | C24 | H59 | 109.0° | 109.5° |
| C24 | C25 | C26 | 116.0° | 120.0° |
| C24 | C25 | C30 | 125.7° | 120.0° |
| C25 | C24 | H58 | 109.1° | 109.5° |
| C25 | C24 | H59 | 109.0° | 109.5° |
| C26 | C25 | C30 | 118.2° | 120.0° |
| C25 | C26 | C27 | 122.1° | 120.0° |
| C25 | C26 | H60 | 118.9° | 120.0° |
| C25 | C30 | C29 | 120.4° | 120.0° |
| C25 | C30 | C31 | 123.8° | 120.0° |
| C26 | C27 | C28 | 119.5° | 120.0° |
| C27 | C26 | H60 | 119.0° | 120.0° |
| C26 | C27 | H61 | 120.3° | 120.0° |
| C27 | C28 | C29 | 121.0° | 120.0° |
| C27 | C28 | C38 | 119.0° | 120.0° |
| C28 | C27 | H61 | 120.3° | 120.0° |
| C29 | C28 | C38 | 120.0° | 120.0° |
| C28 | C29 | C30 | 118.8° | 120.0° |
| C28 | C29 | H62 | 120.6° | 120.0° |
| C28 | C38 | F39 | 117.4° | 109.5° |
| C28 | C38 | F40 | 113.4° | 109.5° |
| C28 | C38 | F41 | 110.6° | 109.5° |
| C29 | C30 | C31 | 115.3° | 120.0° |
| C30 | C29 | H62 | 120.6° | 120.0° |
| C30 | C31 | N32 | 112.2° | 109.5° |
| C30 | C31 | H64 | 108.8° | 109.4° |
| C30 | C31 | H63 | 108.8° | 109.5° |
| C31 | N32 | N33 | 124.6° | 125.5° |
| C31 | N32 | N36 | 123.5° | 125.4° |
| N32 | C31 | H64 | 108.8° | 109.5° |
| N32 | C31 | H63 | 108.8° | 109.5° |
| N33 | N32 | N36 | 111.9° | 109.1° |
| N32 | N33 | N34 | 107.7° | 108.7° |
| N32 | N36 | C35 | 103.9° | 107.9° |
| N33 | N34 | C35 | 107.2° | 107.4° |
| N34 | C35 | N36 | 109.3° | 106.9° |
| N34 | C35 | C37 | 123.9° | 126.6° |
| N36 | C35 | C37 | 126.8° | 126.5° |
| C35 | C37 | H65 | 109.5° | 109.5° |
| C35 | C37 | H67 | 109.5° | 109.5° |
| C35 | C37 | H66 | 109.5° | 109.5° |
| F39 | C38 | F40 | 103.8° | 109.5° |
| F39 | C38 | F41 | 101.3° | 109.4° |
| F40 | C38 | F41 | 109.4° | 109.5° |
| H52 | C21 | H53 | 109.5° | 109.5° |
| H55 | C22 | H54 | 109.5° | 109.6° |
| H57 | C23 | H56 | 109.4° | 109.5° |
| H58 | C24 | H59 | 109.5° | 109.4° |
| H42 | C4 | H43 | 109.4° | 109.7° |
| H44 | C5 | H45 | 109.5° | 109.6° |
| H49 | N15 | H48 | 109.5° | 120.0° |
| H64 | C31 | H63 | 109.5° | 109.4° |
| H65 | C37 | H67 | 109.4° | 109.4° |
| H65 | C37 | H66 | 109.5° | 109.4° |
| H67 | C37 | H66 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C2 | N3 | C23 | 178.2° | 179.9° |
| O1 | C2 | N3 | C4 | 175.8° | 0.0° |
| O1 | C2 | N3 | C22 | 2.8° | 180.0° |
| O1 | C2 | C23 | C24 | 15.4° | 0.1° |
| O1 | C2 | C23 | H57 | 136.1° | 120.1° |
| O1 | C2 | C23 | H56 | 105.2° | 120.0° |
| C2 | N3 | C4 | C22 | 178.8° | 180.0° |
| C2 | N3 | C4 | C5 | 108.9° | 126.4° |
| C2 | N3 | C22 | C21 | 113.3° | 126.4° |
| N3 | C2 | C23 | C24 | 162.7° | 180.0° |
| C2 | N3 | C22 | H55 | 6.6° | 113.9° |
| C2 | N3 | C22 | H54 | 126.9° | 6.5° |
| N3 | C2 | C23 | H57 | 42.1° | 60.0° |
| N3 | C2 | C23 | H56 | 76.7° | 60.0° |
| C2 | N3 | C4 | H42 | 131.4° | 113.8° |
| C2 | N3 | C4 | H43 | 10.9° | 6.6° |
| C23 | C2 | N3 | C4 | 2.3° | 180.0° |
| C23 | C2 | N3 | C22 | 179.0° | 0.0° |
| C2 | C23 | C24 | H57 | 120.6° | 120.0° |
| C2 | C23 | C24 | H56 | 120.6° | 120.0° |
| C2 | C23 | C24 | C25 | 174.0° | 180.0° |
| C2 | C23 | H57 | H56 | 118.2° | 120.0° |
| C2 | C23 | C24 | H58 | 53.7° | 59.9° |
| C2 | C23 | C24 | H59 | 65.7° | 60.0° |
| N3 | C4 | C5 | H42 | 119.7° | 119.8° |
| N3 | C4 | C5 | H43 | 119.7° | 119.8° |
| N3 | C4 | C5 | C6 | 63.9° | 54.6° |
| C4 | N3 | C22 | C21 | 65.5° | 53.6° |
| C4 | N3 | C22 | H55 | 174.6° | 66.1° |
| C4 | N3 | C22 | H54 | 54.3° | 173.4° |
| N3 | C4 | H42 | H43 | 120.8° | 120.4° |
| N3 | C4 | C5 | H44 | 176.2° | 174.6° |
| N3 | C4 | C5 | H45 | 56.0° | 65.3° |
| C22 | N3 | C4 | C5 | 70.0° | 53.6° |
| N3 | C22 | C21 | C6 | 56.8° | 54.6° |
| N3 | C22 | C21 | H55 | 119.9° | 119.8° |
| N3 | C22 | C21 | H54 | 119.9° | 119.9° |
| N3 | C22 | C21 | H52 | 177.1° | 65.3° |
| N3 | C22 | C21 | H53 | 63.5° | 174.6° |
| N3 | C22 | H55 | H54 | 120.4° | 120.5° |
| C22 | N3 | C4 | H42 | 49.8° | 66.2° |
| C22 | N3 | C4 | H43 | 170.3° | 173.4° |
| C4 | C5 | C6 | H44 | 119.9° | 120.0° |
| C4 | C5 | C6 | H45 | 119.9° | 119.9° |
| C4 | C5 | C6 | S7 | 175.3° | 178.7° |
| C4 | C5 | C6 | C21 | 54.5° | 61.3° |
| C5 | C4 | H42 | H43 | 120.8° | 120.3° |
| C4 | C5 | H44 | H45 | 120.3° | 120.1° |
| C4 | C5 | C6 | H46 | 60.2° | 58.6° |
| C5 | C6 | S7 | C21 | 127.0° | 120.1° |
| C5 | C6 | S7 | H46 | 116.3° | 120.0° |
| C5 | C6 | C21 | H46 | 114.8° | 119.9° |
| C5 | C6 | S7 | C8 | 34.7° | 179.2° |
| C5 | C6 | S7 | O19 | 154.3° | 67.6° |
| C5 | C6 | S7 | O20 | 79.0° | 69.2° |
| C5 | C6 | C21 | C22 | 51.7° | 61.4° |
| C5 | C6 | C21 | H52 | 172.0° | 58.6° |
| C5 | C6 | C21 | H53 | 68.7° | 178.7° |
| C6 | C5 | C4 | H42 | 55.9° | 65.2° |
| C6 | C5 | C4 | H43 | 176.4° | 174.4° |
| C6 | C5 | H44 | H45 | 120.3° | 120.1° |
| S7 | C6 | C21 | H46 | 115.6° | 120.0° |
| C6 | S7 | C8 | O19 | 116.9° | 116.0° |
| C6 | S7 | C8 | O20 | 116.0° | 116.1° |
| C6 | S7 | O19 | O20 | 119.2° | 131.5° |
| C6 | S7 | C8 | C9 | 106.2° | 65.4° |
| C6 | S7 | C8 | C18 | 78.9° | 115.1° |
| S7 | C6 | C21 | C22 | 178.7° | 178.6° |
| S7 | C6 | C21 | H52 | 58.3° | 61.4° |
| S7 | C6 | C21 | H53 | 60.9° | 58.6° |
| S7 | C6 | C5 | H44 | 55.4° | 58.7° |
| S7 | C6 | C5 | H45 | 64.8° | 61.5° |
| C21 | C6 | S7 | C8 | 92.3° | 60.8° |
| C21 | C6 | S7 | O19 | 27.3° | 172.3° |
| C21 | C6 | S7 | O20 | 154.0° | 50.9° |
| C6 | C21 | C22 | H52 | 120.3° | 119.9° |
| C6 | C21 | C22 | H53 | 120.3° | 120.0° |
| C6 | C21 | H52 | H53 | 118.9° | 120.1° |
| C6 | C21 | C22 | H55 | 176.7° | 65.1° |
| C6 | C21 | C22 | H54 | 63.0° | 174.6° |
| C21 | C6 | C5 | H44 | 174.4° | 178.7° |
| C21 | C6 | C5 | H45 | 65.4° | 58.6° |
| C8 | S7 | O19 | O20 | 117.8° | 116.8° |
| S7 | C8 | C9 | C18 | 175.4° | 179.5° |
| S7 | C8 | C9 | F10 | 11.2° | 0.0° |
| S7 | C8 | C9 | C11 | 172.9° | 180.0° |
| S7 | C8 | C18 | C17 | 175.1° | 179.8° |
| S7 | C8 | C18 | H51 | 4.9° | 0.3° |
| C8 | S7 | C6 | H46 | 151.1° | 59.2° |
| O19 | S7 | C8 | C9 | 10.7° | 50.6° |
| O19 | S7 | C8 | C18 | 164.2° | 128.9° |
| O19 | S7 | C6 | H46 | 89.4° | 52.4° |
| O20 | S7 | C8 | C9 | 137.8° | 178.5° |
| O20 | S7 | C8 | C18 | 37.1° | 1.0° |
| O20 | S7 | C6 | H46 | 37.3° | 170.9° |
| C8 | C9 | F10 | C11 | 176.3° | 180.0° |
| C8 | C9 | C11 | C12 | 2.9° | 0.0° |
| C9 | C8 | C18 | C17 | 0.3° | 0.7° |
| C8 | C9 | C11 | H47 | 177.1° | 179.7° |
| C9 | C8 | C18 | H51 | 179.7° | 179.2° |
| C18 | C8 | C9 | F10 | 173.4° | 179.5° |
| C18 | C8 | C9 | C11 | 2.5° | 0.5° |
| C8 | C18 | C17 | C12 | 1.5° | 0.5° |
| C8 | C18 | C17 | H51 | 180.0° | 179.9° |
| C8 | C18 | C17 | H50 | 178.5° | 180.0° |
| F10 | C9 | C11 | C12 | 173.0° | 180.0° |
| F10 | C9 | C11 | H47 | 7.0° | 0.3° |
| C9 | C11 | C12 | H47 | 180.0° | 179.7° |
| C9 | C11 | C12 | S13 | 176.8° | 179.7° |
| C9 | C11 | C12 | C17 | 0.9° | 0.2° |
| C11 | C12 | S13 | C17 | 177.5° | 180.0° |
| C11 | C12 | S13 | O14 | 19.8° | 156.5° |
| C11 | C12 | S13 | N15 | 95.2° | 90.0° |
| C11 | C12 | S13 | O16 | 148.4° | 23.6° |
| C11 | C12 | C17 | C18 | 1.2° | 0.0° |
| C11 | C12 | C17 | H50 | 178.8° | 179.5° |
| C12 | S13 | O14 | N15 | 111.2° | 114.1° |
| C12 | S13 | O14 | O16 | 122.8° | 122.9° |
| C12 | S13 | N15 | O16 | 117.7° | 113.6° |
| S13 | C12 | C17 | C18 | 178.8° | 180.0° |
| S13 | C12 | C11 | H47 | 3.3° | 0.0° |
| S13 | C12 | C17 | H50 | 1.2° | 0.5° |
| C12 | S13 | N15 | H49 | 180.0° | 0.1° |
| C12 | S13 | N15 | H48 | 60.0° | 180.0° |
| C17 | C12 | S13 | O14 | 157.7° | 23.5° |
| C17 | C12 | S13 | N15 | 87.4° | 90.0° |
| C17 | C12 | S13 | O16 | 29.1° | 156.4° |
| C12 | C17 | C18 | H50 | 180.0° | 179.5° |
| C17 | C12 | C11 | H47 | 179.1° | 180.0° |
| C12 | C17 | C18 | H51 | 178.5° | 179.4° |
| O14 | S13 | N15 | O16 | 131.8° | 132.9° |
| O14 | S13 | N15 | H49 | 69.5° | 113.5° |
| O14 | S13 | N15 | H48 | 50.5° | 66.4° |
| S13 | N15 | H49 | H48 | 120.0° | 179.9° |
| O16 | S13 | N15 | H49 | 62.3° | 113.6° |
| O16 | S13 | N15 | H48 | 177.7° | 66.5° |
| C22 | C21 | H52 | H53 | 119.0° | 120.1° |
| C21 | C22 | H55 | H54 | 120.4° | 120.2° |
| C22 | C21 | C6 | H46 | 63.1° | 58.6° |
| C23 | C24 | C25 | H58 | 120.3° | 120.0° |
| C23 | C24 | C25 | H59 | 120.2° | 120.0° |
| C23 | C24 | C25 | C26 | 109.6° | 95.0° |
| C23 | C24 | C25 | C30 | 74.1° | 84.7° |
| C24 | C23 | H57 | H56 | 118.1° | 120.0° |
| C23 | C24 | H58 | H59 | 119.2° | 120.0° |
| C24 | C25 | C26 | C30 | 176.7° | 179.7° |
| C24 | C25 | C26 | C27 | 176.1° | 180.0° |
| C24 | C25 | C30 | C29 | 177.7° | 179.8° |
| C24 | C25 | C30 | C31 | 6.4° | 0.0° |
| C25 | C24 | C23 | H57 | 65.3° | 60.0° |
| C25 | C24 | C23 | H56 | 53.4° | 60.0° |
| C25 | C24 | H58 | H59 | 119.2° | 120.0° |
| C24 | C25 | C26 | H60 | 3.9° | 0.0° |
| C25 | C26 | C27 | H60 | 180.0° | 180.0° |
| C25 | C26 | C27 | C28 | 1.8° | 0.0° |
| C26 | C25 | C30 | C29 | 1.4° | 0.5° |
| C26 | C25 | C30 | C31 | 169.9° | 179.7° |
| C26 | C25 | C24 | H58 | 10.7° | 145.0° |
| C26 | C25 | C24 | H59 | 130.2° | 25.0° |
| C25 | C26 | C27 | H61 | 178.2° | 180.0° |
| C30 | C25 | C26 | C27 | 0.5° | 0.2° |
| C25 | C30 | C29 | C28 | 2.0° | 0.4° |
| C25 | C30 | C29 | C31 | 172.1° | 179.8° |
| C25 | C30 | C31 | N32 | 115.5° | 85.0° |
| C30 | C25 | C24 | H58 | 165.7° | 35.3° |
| C30 | C25 | C24 | H59 | 46.2° | 155.3° |
| C30 | C25 | C26 | H60 | 179.5° | 179.7° |
| C25 | C30 | C29 | H62 | 178.0° | 179.7° |
| C25 | C30 | C31 | H64 | 124.1° | 155.0° |
| C25 | C30 | C31 | H63 | 4.9° | 35.1° |
| C26 | C27 | C28 | H61 | 180.0° | 179.9° |
| C26 | C27 | C28 | C29 | 1.1° | 0.1° |
| C26 | C27 | C28 | C38 | 177.6° | 179.9° |
| C27 | C28 | C29 | C38 | 178.7° | 180.0° |
| C27 | C28 | C29 | C30 | 0.8° | 0.2° |
| C27 | C28 | C38 | F39 | 71.8° | 0.0° |
| C27 | C28 | C38 | F40 | 167.0° | 120.0° |
| C27 | C28 | C38 | F41 | 43.7° | 120.0° |
| C28 | C27 | C26 | H60 | 178.2° | 180.0° |
| C27 | C28 | C29 | H62 | 179.3° | 180.0° |
| C28 | C29 | C30 | H62 | 180.0° | 179.9° |
| C28 | C29 | C30 | C31 | 170.0° | 179.8° |
| C29 | C28 | C38 | F39 | 109.4° | 180.0° |
| C29 | C28 | C38 | F40 | 11.7° | 60.0° |
| C29 | C28 | C38 | F41 | 135.0° | 60.0° |
| C29 | C28 | C27 | H61 | 178.9° | 180.0° |
| C38 | C28 | C29 | C30 | 179.5° | 179.8° |
| C28 | C38 | F39 | F40 | 126.0° | 120.0° |
| C28 | C38 | F39 | F41 | 120.5° | 120.0° |
| C28 | C38 | F40 | F41 | 124.0° | 120.0° |
| C38 | C28 | C27 | H61 | 2.4° | 0.0° |
| C38 | C28 | C29 | H62 | 0.5° | 0.0° |
| C29 | C30 | C31 | N32 | 72.7° | 94.8° |
| C29 | C30 | C31 | H64 | 47.7° | 25.2° |
| C29 | C30 | C31 | H63 | 166.9° | 145.2° |
| C30 | C31 | N32 | H64 | 120.4° | 120.0° |
| C30 | C31 | N32 | H63 | 120.4° | 120.1° |
| C30 | C31 | N32 | N33 | 99.7° | 90.0° |
| C30 | C31 | N32 | N36 | 83.5° | 90.3° |
| C31 | C30 | C29 | H62 | 10.0° | 0.1° |
| C30 | C31 | H64 | H63 | 118.7° | 120.0° |
| C31 | N32 | N33 | N36 | 177.1° | 179.8° |
| C31 | N32 | N33 | N34 | 176.6° | 180.0° |
| C31 | N32 | N36 | C35 | 176.6° | 179.9° |
| N32 | C31 | H64 | H63 | 118.8° | 120.0° |
| N32 | N33 | N34 | C35 | 0.2° | 0.0° |
| N33 | N32 | N36 | C35 | 0.6° | 0.3° |
| N33 | N32 | C31 | H64 | 20.7° | 30.0° |
| N33 | N32 | C31 | H63 | 139.9° | 149.9° |
| N36 | N32 | N33 | N34 | 0.5° | 0.2° |
| N32 | N36 | C35 | N34 | 0.4° | 0.3° |
| N32 | N36 | C35 | C37 | 179.9° | 179.9° |
| N36 | N32 | C31 | H64 | 156.1° | 149.8° |
| N36 | N32 | C31 | H63 | 36.9° | 29.8° |
| N33 | N34 | C35 | N36 | 0.1° | 0.2° |
| N33 | N34 | C35 | C37 | 179.9° | 180.0° |
| N34 | C35 | N36 | C37 | 179.7° | 179.8° |
| N34 | C35 | C37 | H65 | 0.0° | 90.0° |
| N34 | C35 | C37 | H67 | 120.0° | 150.0° |
| N34 | C35 | C37 | H66 | 120.0° | 30.0° |
| N36 | C35 | C37 | H65 | 179.7° | 89.7° |
| N36 | C35 | C37 | H67 | 60.3° | 30.3° |
| N36 | C35 | C37 | H66 | 59.7° | 150.3° |
| C35 | C37 | H65 | H67 | 120.0° | 120.1° |
| C35 | C37 | H65 | H66 | 120.0° | 120.0° |
| C35 | C37 | H67 | H66 | 120.0° | 120.0° |
| F39 | C38 | F40 | F41 | 107.5° | 120.0° |
| H50 | C17 | C18 | H51 | 1.5° | 0.0° |
| H52 | C21 | C22 | H55 | 63.0° | 174.9° |
| H52 | C21 | C22 | H54 | 57.3° | 54.7° |
| H52 | C21 | C6 | H46 | 57.2° | 178.5° |
| H53 | C21 | C22 | H55 | 56.3° | 54.8° |
| H53 | C21 | C22 | H54 | 176.6° | 65.4° |
| H53 | C21 | C6 | H46 | 176.5° | 61.4° |
| H57 | C23 | C24 | H58 | 174.4° | 60.1° |
| H57 | C23 | C24 | H59 | 54.9° | 180.0° |
| H56 | C23 | C24 | H58 | 66.9° | 180.0° |
| H56 | C23 | C24 | H59 | 173.6° | 60.0° |
| H60 | C26 | C27 | H61 | 1.8° | 0.1° |
| H42 | C4 | C5 | H44 | 64.0° | 54.8° |
| H42 | C4 | C5 | H45 | 175.8° | 174.9° |
| H43 | C4 | C5 | H44 | 56.5° | 65.6° |
| H43 | C4 | C5 | H45 | 63.7° | 54.5° |
| H44 | C5 | C6 | H46 | 59.7° | 61.3° |
| H45 | C5 | C6 | H46 | 179.9° | 178.5° |
| H65 | C37 | H67 | H66 | 120.0° | 119.9° |
