L5F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O44 | C43 | doub | 1.21Å | 1.25Å | |
| C18 | C19 | sing | 1.53Å | 1.51Å | |
| C18 | N17 | sing | 1.47Å | 1.46Å | |
| O1 | C43 | sing | 1.34Å | 1.25Å | |
| C19 | O20 | sing | 1.43Å | 1.42Å | |
| C43 | C42 | sing | 1.51Å | 1.52Å | |
| C12 | C11 | doub | 1.37Å | 1.38Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| N17 | C13 | sing | 1.37Å | 1.36Å | Aromatic |
| N17 | N16 | sing | 1.40Å | 1.36Å | Aromatic |
| O20 | C21 | sing | 1.43Å | 1.42Å | |
| C11 | C10 | sing | 1.39Å | 1.40Å | Aromatic |
| C13 | C14 | doub | 1.41Å | 1.39Å | Aromatic |
| N16 | N15 | doub | 1.29Å | 1.31Å | Aromatic |
| C42 | C41 | sing | 1.53Å | 1.54Å | |
| C21 | C22 | sing | 1.53Å | 1.48Å | |
| C10 | C41 | sing | 1.51Å | 1.53Å | |
| C10 | C9 | doub | 1.37Å | 1.40Å | Aromatic |
| C14 | N15 | sing | 1.35Å | 1.38Å | Aromatic |
| C14 | C9 | sing | 1.40Å | 1.40Å | Aromatic |
| C41 | C40 | sing | 1.51Å | 1.52Å | |
| C9 | C8 | sing | 1.51Å | 1.51Å | |
| C22 | O23 | sing | 1.43Å | 1.43Å | |
| O23 | C25 | sing | 1.35Å | 1.37Å | |
| C40 | C39 | sing | 1.38Å | 1.39Å | Aromatic |
| C40 | C35 | doub | 1.38Å | 1.38Å | Aromatic |
| C39 | C38 | doub | 1.38Å | 1.40Å | Aromatic |
| C35 | C36 | sing | 1.38Å | 1.38Å | Aromatic |
| C25 | C24 | sing | 1.39Å | 1.39Å | Aromatic |
| C25 | C26 | doub | 1.39Å | 1.38Å | Aromatic |
| C24 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
| C32 | C33 | sing | 1.53Å | 1.53Å | |
| C26 | C27 | sing | 1.38Å | 1.38Å | Aromatic |
| C38 | C33 | sing | 1.50Å | 1.53Å | |
| C38 | C37 | sing | 1.38Å | 1.40Å | Aromatic |
| C29 | C30 | sing | 1.52Å | 1.52Å | |
| C29 | C28 | sing | 1.39Å | 1.40Å | Aromatic |
| C36 | C37 | doub | 1.38Å | 1.39Å | Aromatic |
| C30 | N31 | sing | 1.47Å | 1.47Å | |
| C33 | N31 | sing | 1.46Å | 1.49Å | |
| C27 | C28 | doub | 1.39Å | 1.38Å | Aromatic |
| C37 | C34 | sing | 1.51Å | 1.51Å | |
| C28 | O7 | sing | 1.35Å | 1.41Å | |
| N31 | S6 | sing | 1.66Å | 1.62Å | |
| O7 | S6 | sing | 1.51Å | 1.59Å | |
| S6 | O5 | doub | 1.42Å | 1.42Å | |
| S6 | O4 | doub | 1.42Å | 1.42Å | |
| C8 | H81 | sing | 1.09Å | 1.10Å | |
| C8 | H82 | sing | 1.09Å | 1.10Å | |
| C8 | H83 | sing | 1.09Å | 1.10Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C32 | H323 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C34 | H342 | sing | 1.09Å | 1.10Å | |
| C34 | H343 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| C39 | H39 | sing | 1.08Å | 1.08Å | |
| C41 | H41 | sing | 1.09Å | 1.10Å | |
| C42 | H422 | sing | 1.09Å | 1.10Å | |
| C42 | H421 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O44 | C43 | O1 | 124.7° | 120.0° |
| O44 | C43 | C42 | 116.6° | 120.0° |
| C19 | C18 | N17 | 112.5° | 109.4° |
| C18 | C19 | O20 | 108.8° | 109.4° |
| C19 | C18 | H182 | 108.7° | 109.5° |
| C19 | C18 | H181 | 108.7° | 109.5° |
| C18 | C19 | H191 | 109.7° | 109.5° |
| C18 | C19 | H192 | 109.6° | 109.5° |
| C18 | N17 | C13 | 129.8° | 126.5° |
| C18 | N17 | N16 | 120.0° | 126.9° |
| N17 | C18 | H182 | 108.7° | 109.5° |
| N17 | C18 | H181 | 108.7° | 109.5° |
| O1 | C43 | C42 | 118.7° | 120.0° |
| C43 | O1 | H1 | 109.5° | 117.0° |
| C19 | O20 | C21 | 113.6° | 114.0° |
| O20 | C19 | H191 | 109.6° | 109.5° |
| O20 | C19 | H192 | 109.6° | 109.5° |
| C43 | C42 | C41 | 114.4° | 109.5° |
| C43 | C42 | H422 | 108.2° | 109.5° |
| C43 | C42 | H421 | 108.2° | 109.5° |
| C11 | C12 | C13 | 117.3° | 119.8° |
| C12 | C11 | C10 | 122.7° | 120.6° |
| C12 | C11 | H11 | 118.6° | 119.7° |
| C11 | C12 | H12 | 121.4° | 120.0° |
| C12 | C13 | N17 | 134.0° | 134.0° |
| C12 | C13 | C14 | 121.8° | 119.9° |
| C13 | C12 | H12 | 121.4° | 120.1° |
| C13 | N17 | N16 | 110.2° | 106.5° |
| N17 | C13 | C14 | 104.2° | 106.1° |
| N17 | N16 | N15 | 108.9° | 109.3° |
| O20 | C21 | C22 | 106.7° | 109.6° |
| O20 | C21 | H211 | 110.2° | 109.5° |
| O20 | C21 | H212 | 110.2° | 109.4° |
| C11 | C10 | C41 | 121.2° | 119.7° |
| C11 | C10 | C9 | 119.1° | 120.6° |
| C10 | C11 | H11 | 118.6° | 119.7° |
| C13 | C14 | N15 | 108.8° | 107.6° |
| C13 | C14 | C9 | 120.6° | 119.1° |
| N16 | N15 | C14 | 107.9° | 110.4° |
| C42 | C41 | C10 | 114.0° | 109.5° |
| C42 | C41 | C40 | 110.3° | 109.4° |
| C42 | C41 | H41 | 106.8° | 109.4° |
| C41 | C42 | H422 | 108.2° | 109.5° |
| C41 | C42 | H421 | 108.3° | 109.5° |
| C21 | C22 | O23 | 109.0° | 109.5° |
| C22 | C21 | H211 | 110.2° | 109.4° |
| C22 | C21 | H212 | 110.2° | 109.4° |
| C21 | C22 | H221 | 109.6° | 109.5° |
| C21 | C22 | H222 | 109.6° | 109.5° |
| C41 | C10 | C9 | 119.6° | 119.7° |
| C10 | C41 | C40 | 111.5° | 109.5° |
| C10 | C41 | H41 | 106.9° | 109.5° |
| C10 | C9 | C14 | 118.5° | 119.9° |
| C10 | C9 | C8 | 122.5° | 120.1° |
| N15 | C14 | C9 | 130.5° | 133.4° |
| C14 | C9 | C8 | 118.9° | 120.1° |
| C41 | C40 | C39 | 121.8° | 120.0° |
| C41 | C40 | C35 | 120.2° | 119.9° |
| C40 | C41 | H41 | 106.9° | 109.5° |
| C9 | C8 | H81 | 109.5° | 109.5° |
| C9 | C8 | H82 | 109.5° | 109.5° |
| C9 | C8 | H83 | 109.5° | 109.4° |
| C22 | O23 | C25 | 117.5° | 117.4° |
| O23 | C22 | H221 | 109.6° | 109.4° |
| O23 | C22 | H222 | 109.6° | 109.4° |
| O23 | C25 | C24 | 125.1° | 120.0° |
| O23 | C25 | C26 | 114.0° | 120.7° |
| C39 | C40 | C35 | 117.9° | 120.1° |
| C40 | C39 | C38 | 122.3° | 120.0° |
| C40 | C39 | H39 | 118.8° | 120.0° |
| C40 | C35 | C36 | 120.7° | 120.0° |
| C40 | C35 | H35 | 119.6° | 120.0° |
| C39 | C38 | C33 | 120.8° | 119.3° |
| C39 | C38 | C37 | 119.0° | 119.9° |
| C38 | C39 | H39 | 118.8° | 120.0° |
| C35 | C36 | C37 | 121.8° | 119.9° |
| C36 | C35 | H35 | 119.6° | 120.0° |
| C35 | C36 | H36 | 119.1° | 120.0° |
| C24 | C25 | C26 | 120.6° | 119.3° |
| C25 | C24 | C29 | 120.4° | 120.5° |
| C25 | C24 | H24 | 119.8° | 119.8° |
| C25 | C26 | C27 | 119.9° | 119.8° |
| C25 | C26 | H26 | 120.1° | 120.1° |
| C24 | C29 | C30 | 120.8° | 119.8° |
| C24 | C29 | C28 | 118.2° | 120.4° |
| C29 | C24 | H24 | 119.8° | 119.7° |
| C32 | C33 | C38 | 114.1° | 108.8° |
| C32 | C33 | N31 | 108.6° | 108.8° |
| C33 | C32 | H323 | 109.5° | 109.4° |
| C33 | C32 | H321 | 109.5° | 109.5° |
| C33 | C32 | H322 | 109.4° | 109.5° |
| C32 | C33 | H33 | 107.2° | 108.8° |
| C26 | C27 | C28 | 119.7° | 121.1° |
| C27 | C26 | H26 | 120.1° | 120.1° |
| C26 | C27 | H27 | 120.2° | 119.4° |
| C33 | C38 | C37 | 120.1° | 120.7° |
| C38 | C33 | N31 | 111.6° | 112.6° |
| C38 | C33 | H33 | 107.3° | 108.8° |
| C38 | C37 | C36 | 118.2° | 120.1° |
| C38 | C37 | C34 | 122.2° | 119.9° |
| C30 | C29 | C28 | 120.8° | 119.8° |
| C29 | C30 | N31 | 108.6° | 107.9° |
| C29 | C30 | H301 | 109.7° | 109.7° |
| C29 | C30 | H302 | 109.7° | 109.8° |
| C29 | C28 | C27 | 121.3° | 118.8° |
| C29 | C28 | O7 | 123.6° | 122.3° |
| C36 | C37 | C34 | 119.6° | 120.0° |
| C37 | C36 | H36 | 119.1° | 120.0° |
| C30 | N31 | C33 | 118.5° | 121.0° |
| C30 | N31 | S6 | 114.0° | 118.5° |
| N31 | C30 | H301 | 109.7° | 109.8° |
| N31 | C30 | H302 | 109.7° | 109.8° |
| C33 | N31 | S6 | 123.8° | 120.4° |
| N31 | C33 | H33 | 107.7° | 108.9° |
| C27 | C28 | O7 | 115.1° | 118.9° |
| C28 | C27 | H27 | 120.2° | 119.5° |
| C37 | C34 | H342 | 109.5° | 109.5° |
| C37 | C34 | H343 | 109.5° | 109.5° |
| C37 | C34 | H341 | 109.5° | 109.4° |
| C28 | O7 | S6 | 116.5° | 119.2° |
| N31 | S6 | O7 | 97.6° | 108.1° |
| N31 | S6 | O5 | 110.6° | 106.3° |
| N31 | S6 | O4 | 111.8° | 106.1° |
| O7 | S6 | O5 | 105.1° | 106.3° |
| O7 | S6 | O4 | 107.9° | 106.2° |
| O5 | S6 | O4 | 120.9° | 123.1° |
| H81 | C8 | H82 | 109.4° | 109.4° |
| H81 | C8 | H83 | 109.5° | 109.5° |
| H82 | C8 | H83 | 109.5° | 109.4° |
| H182 | C18 | H181 | 109.5° | 109.5° |
| H191 | C19 | H192 | 109.5° | 109.5° |
| H211 | C21 | H212 | 109.4° | 109.4° |
| H221 | C22 | H222 | 109.5° | 109.5° |
| H301 | C30 | H302 | 109.5° | 109.9° |
| H323 | C32 | H321 | 109.5° | 109.5° |
| H323 | C32 | H322 | 109.4° | 109.4° |
| H321 | C32 | H322 | 109.5° | 109.5° |
| H342 | C34 | H343 | 109.5° | 109.5° |
| H342 | C34 | H341 | 109.4° | 109.4° |
| H343 | C34 | H341 | 109.5° | 109.5° |
| H422 | C42 | H421 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O44 | C43 | O1 | C42 | 179.9° | 179.9° |
| O44 | C43 | C42 | C41 | 131.2° | 0.1° |
| O44 | C43 | O1 | H1 | 0.0° | 0.0° |
| O44 | C43 | C42 | H422 | 108.0° | 120.1° |
| O44 | C43 | C42 | H421 | 10.5° | 119.9° |
| C19 | C18 | N17 | H182 | 120.5° | 120.0° |
| C19 | C18 | N17 | H181 | 120.5° | 120.0° |
| C18 | C19 | O20 | H191 | 119.9° | 120.0° |
| C18 | C19 | O20 | H192 | 119.9° | 119.9° |
| C19 | C18 | N17 | C13 | 78.7° | 97.2° |
| C19 | C18 | N17 | N16 | 103.4° | 81.5° |
| C18 | C19 | O20 | C21 | 150.9° | 163.8° |
| C19 | C18 | H182 | H181 | 118.6° | 120.0° |
| C18 | C19 | H191 | H192 | 120.3° | 120.0° |
| N17 | C18 | C19 | O20 | 84.1° | 109.0° |
| C18 | N17 | C13 | C12 | 0.5° | 3.5° |
| C18 | N17 | C13 | N16 | 178.1° | 179.0° |
| C18 | N17 | C13 | C14 | 176.7° | 175.7° |
| C18 | N17 | N16 | N15 | 177.5° | 176.7° |
| N17 | C18 | H182 | H181 | 118.6° | 120.0° |
| N17 | C18 | C19 | H191 | 35.7° | 131.0° |
| N17 | C18 | C19 | H192 | 156.0° | 11.0° |
| O1 | C43 | C42 | C41 | 48.8° | 180.0° |
| O1 | C43 | C42 | H422 | 71.9° | 60.0° |
| O1 | C43 | C42 | H421 | 169.6° | 60.0° |
| C19 | O20 | C21 | C22 | 87.0° | 154.5° |
| O20 | C19 | C18 | H182 | 36.3° | 11.0° |
| O20 | C19 | C18 | H181 | 155.4° | 131.0° |
| O20 | C19 | H191 | H192 | 120.3° | 120.1° |
| C19 | O20 | C21 | H211 | 32.6° | 34.5° |
| C19 | O20 | C21 | H212 | 153.5° | 85.5° |
| C43 | C42 | C41 | H422 | 120.7° | 120.0° |
| C43 | C42 | C41 | H421 | 120.7° | 120.0° |
| C43 | C42 | C41 | C10 | 61.1° | 171.1° |
| C43 | C42 | C41 | C40 | 172.5° | 68.9° |
| C42 | C43 | O1 | H1 | 179.9° | 179.9° |
| C43 | C42 | C41 | H41 | 56.7° | 51.1° |
| C43 | C42 | H422 | H421 | 117.8° | 120.0° |
| C11 | C12 | C13 | H12 | 180.0° | 179.9° |
| C11 | C12 | C13 | N17 | 174.3° | 176.9° |
| C12 | C11 | C10 | H11 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 1.4° | 2.2° |
| C12 | C11 | C10 | C41 | 175.1° | 178.5° |
| C12 | C11 | C10 | C9 | 2.3° | 2.3° |
| C12 | C13 | N17 | C14 | 176.3° | 179.1° |
| C12 | C13 | N17 | N16 | 177.6° | 177.6° |
| C13 | C12 | C11 | C10 | 0.7° | 0.4° |
| C12 | C13 | C14 | N15 | 178.3° | 177.5° |
| C12 | C13 | C14 | C9 | 1.9° | 2.9° |
| C13 | C12 | C11 | H11 | 179.3° | 179.6° |
| C13 | N17 | N16 | N15 | 0.8° | 2.3° |
| N17 | C13 | C14 | N15 | 1.4° | 3.3° |
| N17 | C13 | C14 | C9 | 174.9° | 176.4° |
| N17 | C13 | C12 | H12 | 5.6° | 3.2° |
| C13 | N17 | C18 | H182 | 160.8° | 22.7° |
| C13 | N17 | C18 | H181 | 41.8° | 142.8° |
| N16 | N17 | C13 | C14 | 1.3° | 3.3° |
| N17 | N16 | N15 | C14 | 0.2° | 0.2° |
| N16 | N17 | C18 | H182 | 17.1° | 158.5° |
| N16 | N17 | C18 | H181 | 136.2° | 38.5° |
| O20 | C21 | C22 | H211 | 119.6° | 120.1° |
| O20 | C21 | C22 | H212 | 119.6° | 120.0° |
| O20 | C21 | C22 | O23 | 172.7° | 167.6° |
| C21 | O20 | C19 | H191 | 31.0° | 76.2° |
| C21 | O20 | C19 | H192 | 89.2° | 43.9° |
| O20 | C21 | H211 | H212 | 121.3° | 120.0° |
| O20 | C21 | C22 | H221 | 67.3° | 47.6° |
| O20 | C21 | C22 | H222 | 52.8° | 72.4° |
| C11 | C10 | C41 | C42 | 6.5° | 74.5° |
| C11 | C10 | C41 | C9 | 177.5° | 179.2° |
| C11 | C10 | C9 | C14 | 1.8° | 1.5° |
| C11 | C10 | C41 | C40 | 119.3° | 45.4° |
| C11 | C10 | C9 | C8 | 178.5° | 178.3° |
| C10 | C11 | C12 | H12 | 179.3° | 179.6° |
| C11 | C10 | C41 | H41 | 124.2° | 165.5° |
| C13 | C14 | N15 | N16 | 1.0° | 1.9° |
| C13 | C14 | C9 | C10 | 0.3° | 1.1° |
| C13 | C14 | N15 | C9 | 175.9° | 179.5° |
| C13 | C14 | C9 | C8 | 176.6° | 179.1° |
| C14 | C13 | C12 | H12 | 178.6° | 177.8° |
| N16 | N15 | C14 | C9 | 174.8° | 177.6° |
| C42 | C41 | C10 | C40 | 125.7° | 120.0° |
| C42 | C41 | C10 | H41 | 117.7° | 120.0° |
| C42 | C41 | C10 | C9 | 171.0° | 104.7° |
| C42 | C41 | C40 | H41 | 115.7° | 119.9° |
| C42 | C41 | C40 | C39 | 84.8° | 171.7° |
| C42 | C41 | C40 | C35 | 97.7° | 8.8° |
| C41 | C42 | H422 | H421 | 117.8° | 120.0° |
| C21 | C22 | O23 | H221 | 119.9° | 120.0° |
| C21 | C22 | O23 | H222 | 119.9° | 120.0° |
| C21 | C22 | O23 | C25 | 165.5° | 87.5° |
| C22 | C21 | H211 | H212 | 121.3° | 119.9° |
| C21 | C22 | H221 | H222 | 120.2° | 120.1° |
| C41 | C10 | C9 | C14 | 175.7° | 179.3° |
| C10 | C41 | C40 | H41 | 116.5° | 120.1° |
| C41 | C10 | C9 | C8 | 1.0° | 0.9° |
| C10 | C41 | C40 | C39 | 42.9° | 51.7° |
| C10 | C41 | C40 | C35 | 134.6° | 128.8° |
| C41 | C10 | C11 | H11 | 4.9° | 1.5° |
| C10 | C41 | C42 | H422 | 178.1° | 51.1° |
| C10 | C41 | C42 | H421 | 59.6° | 68.9° |
| C10 | C9 | C14 | N15 | 175.7° | 179.4° |
| C10 | C9 | C14 | C8 | 176.9° | 179.8° |
| C9 | C10 | C41 | C40 | 63.3° | 135.4° |
| C10 | C9 | C8 | H81 | 91.8° | 89.9° |
| C10 | C9 | C8 | H82 | 148.3° | 150.0° |
| C10 | C9 | C8 | H83 | 28.3° | 30.1° |
| C9 | C10 | C11 | H11 | 177.7° | 177.8° |
| C9 | C10 | C41 | H41 | 53.3° | 15.3° |
| N15 | C14 | C9 | C8 | 1.1° | 0.4° |
| C14 | C9 | C8 | H81 | 91.5° | 90.2° |
| C14 | C9 | C8 | H82 | 28.5° | 29.8° |
| C14 | C9 | C8 | H83 | 148.5° | 149.8° |
| C41 | C40 | C39 | C35 | 177.6° | 179.5° |
| C41 | C40 | C39 | C38 | 174.8° | 178.8° |
| C41 | C40 | C35 | C36 | 175.6° | 179.4° |
| C41 | C40 | C35 | H35 | 4.4° | 0.6° |
| C41 | C40 | C39 | H39 | 5.2° | 1.1° |
| C40 | C41 | C42 | H422 | 51.8° | 171.1° |
| C40 | C41 | C42 | H421 | 66.7° | 51.1° |
| C9 | C8 | H81 | H82 | 120.0° | 120.1° |
| C9 | C8 | H81 | H83 | 120.0° | 120.0° |
| C9 | C8 | H82 | H83 | 120.0° | 120.0° |
| C22 | O23 | C25 | C24 | 1.7° | 18.8° |
| C22 | O23 | C25 | C26 | 172.1° | 161.7° |
| O23 | C22 | C21 | H211 | 53.1° | 72.3° |
| O23 | C22 | C21 | H212 | 67.7° | 47.6° |
| O23 | C22 | H221 | H222 | 120.2° | 119.9° |
| O23 | C25 | C24 | C26 | 173.4° | 179.4° |
| O23 | C25 | C24 | C29 | 171.7° | 179.2° |
| O23 | C25 | C26 | C27 | 173.5° | 178.4° |
| C25 | O23 | C22 | H221 | 74.5° | 32.5° |
| C25 | O23 | C22 | H222 | 45.6° | 152.5° |
| O23 | C25 | C24 | H24 | 8.3° | 0.8° |
| O23 | C25 | C26 | H26 | 6.5° | 1.6° |
| C40 | C39 | C38 | H39 | 180.0° | 180.0° |
| C39 | C40 | C35 | C36 | 2.0° | 0.2° |
| C40 | C39 | C38 | C33 | 178.3° | 178.2° |
| C40 | C39 | C38 | C37 | 1.7° | 1.0° |
| C39 | C40 | C35 | H35 | 177.9° | 179.9° |
| C39 | C40 | C41 | H41 | 159.5° | 68.4° |
| C35 | C40 | C39 | C38 | 2.8° | 0.7° |
| C40 | C35 | C36 | H35 | 180.0° | 180.0° |
| C40 | C35 | C36 | C37 | 0.2° | 0.1° |
| C40 | C35 | C36 | H36 | 179.8° | 179.9° |
| C35 | C40 | C39 | H39 | 177.2° | 179.3° |
| C35 | C40 | C41 | H41 | 18.1° | 111.2° |
| C39 | C38 | C33 | C32 | 20.2° | 120.7° |
| C39 | C38 | C33 | C37 | 180.0° | 179.2° |
| C39 | C38 | C37 | C36 | 0.2° | 0.7° |
| C39 | C38 | C33 | N31 | 103.4° | 118.6° |
| C39 | C38 | C37 | C34 | 178.2° | 179.3° |
| C39 | C38 | C33 | H33 | 138.8° | 2.3° |
| C35 | C36 | C37 | C38 | 0.9° | 0.2° |
| C35 | C36 | C37 | H36 | 180.0° | 180.0° |
| C35 | C36 | C37 | C34 | 177.5° | 179.8° |
| C25 | C24 | C29 | H24 | 180.0° | 180.0° |
| C24 | C25 | C26 | C27 | 0.6° | 2.2° |
| C25 | C24 | C29 | C30 | 171.9° | 178.2° |
| C25 | C24 | C29 | C28 | 2.7° | 1.3° |
| C24 | C25 | C26 | H26 | 179.4° | 177.8° |
| C26 | C25 | C24 | C29 | 1.7° | 1.3° |
| C25 | C26 | C27 | H26 | 180.0° | 179.9° |
| C25 | C26 | C27 | C28 | 0.6° | 0.4° |
| C26 | C25 | C24 | H24 | 178.3° | 178.6° |
| C25 | C26 | C27 | H27 | 179.4° | 179.5° |
| C24 | C29 | C30 | C28 | 174.4° | 179.5° |
| C24 | C29 | C30 | N31 | 163.8° | 142.8° |
| C24 | C29 | C28 | C27 | 2.7° | 3.1° |
| C24 | C29 | C28 | O7 | 176.1° | 175.4° |
| C24 | C29 | C30 | H301 | 76.3° | 23.2° |
| C24 | C29 | C30 | H302 | 44.0° | 97.6° |
| C32 | C33 | C38 | N31 | 123.6° | 120.8° |
| C32 | C33 | C38 | H33 | 118.6° | 118.4° |
| C32 | C33 | C38 | C37 | 159.8° | 58.5° |
| C32 | C33 | N31 | C30 | 63.2° | 177.3° |
| C32 | C33 | N31 | H33 | 115.8° | 118.5° |
| C32 | C33 | N31 | S6 | 93.6° | 4.8° |
| C33 | C32 | H323 | H321 | 120.0° | 120.0° |
| C33 | C32 | H323 | H322 | 120.0° | 120.0° |
| C33 | C32 | H321 | H322 | 120.0° | 120.1° |
| C26 | C27 | C28 | C29 | 1.7° | 2.2° |
| C26 | C27 | C28 | H27 | 180.0° | 179.9° |
| C26 | C27 | C28 | O7 | 177.2° | 176.3° |
| C33 | C38 | C37 | C36 | 179.8° | 178.5° |
| C38 | C33 | N31 | C30 | 63.4° | 56.5° |
| C38 | C33 | N31 | H33 | 117.5° | 120.8° |
| C33 | C38 | C37 | C34 | 1.8° | 1.5° |
| C38 | C33 | N31 | S6 | 139.7° | 125.6° |
| C38 | C33 | C32 | H323 | 180.0° | 146.3° |
| C38 | C33 | C32 | H321 | 60.0° | 26.3° |
| C38 | C33 | C32 | H322 | 60.0° | 93.8° |
| C33 | C38 | C39 | H39 | 1.7° | 1.7° |
| C38 | C37 | C36 | C34 | 178.5° | 180.0° |
| C37 | C38 | C33 | N31 | 76.6° | 62.2° |
| C37 | C38 | C33 | H33 | 41.2° | 176.9° |
| C38 | C37 | C34 | H342 | 89.1° | 82.7° |
| C38 | C37 | C34 | H343 | 150.8° | 37.3° |
| C38 | C37 | C34 | H341 | 30.8° | 157.4° |
| C38 | C37 | C36 | H36 | 179.1° | 179.8° |
| C37 | C38 | C39 | H39 | 178.3° | 179.0° |
| C29 | C30 | N31 | H301 | 119.9° | 119.5° |
| C29 | C30 | N31 | H302 | 119.8° | 119.6° |
| C29 | C30 | N31 | C33 | 105.1° | 132.1° |
| C30 | C29 | C28 | C27 | 171.8° | 176.4° |
| C30 | C29 | C28 | O7 | 9.3° | 5.1° |
| C29 | C30 | N31 | S6 | 53.9° | 45.8° |
| C30 | C29 | C24 | H24 | 8.2° | 1.8° |
| C29 | C30 | H301 | H302 | 120.3° | 120.8° |
| C28 | C29 | C30 | N31 | 10.6° | 36.7° |
| C29 | C28 | C27 | O7 | 179.0° | 178.5° |
| C29 | C28 | O7 | S6 | 14.1° | 39.7° |
| C28 | C29 | C24 | H24 | 177.3° | 178.7° |
| C29 | C28 | C27 | H27 | 178.3° | 177.9° |
| C28 | C29 | C30 | H301 | 109.3° | 156.3° |
| C28 | C29 | C30 | H302 | 130.4° | 82.9° |
| C36 | C37 | C34 | H342 | 89.3° | 97.3° |
| C36 | C37 | C34 | H343 | 30.8° | 142.7° |
| C36 | C37 | C34 | H341 | 150.8° | 22.6° |
| C37 | C36 | C35 | H35 | 179.8° | 179.9° |
| C30 | N31 | C33 | S6 | 156.8° | 177.9° |
| C30 | N31 | S6 | O7 | 71.0° | 17.5° |
| C30 | N31 | S6 | O5 | 38.3° | 131.3° |
| C30 | N31 | S6 | O4 | 176.2° | 96.1° |
| N31 | C30 | H301 | H302 | 120.4° | 120.8° |
| C30 | N31 | C33 | H33 | 179.0° | 64.2° |
| C33 | N31 | S6 | O7 | 86.7° | 160.5° |
| C33 | N31 | S6 | O5 | 163.9° | 46.7° |
| C33 | N31 | S6 | O4 | 26.0° | 85.9° |
| C33 | N31 | C30 | H301 | 135.1° | 12.6° |
| C33 | N31 | C30 | H302 | 14.8° | 108.3° |
| N31 | C33 | C32 | H323 | 54.8° | 90.6° |
| N31 | C33 | C32 | H321 | 174.8° | 149.3° |
| N31 | C33 | C32 | H322 | 65.2° | 29.3° |
| C27 | C28 | O7 | S6 | 164.8° | 141.8° |
| C28 | C27 | C26 | H26 | 179.4° | 179.6° |
| C37 | C34 | H342 | H343 | 120.0° | 120.1° |
| C37 | C34 | H342 | H341 | 120.0° | 119.9° |
| C37 | C34 | H343 | H341 | 120.0° | 120.0° |
| C34 | C37 | C36 | H36 | 2.4° | 0.2° |
| C28 | O7 | S6 | N31 | 47.9° | 26.2° |
| C28 | O7 | S6 | O5 | 66.0° | 87.6° |
| C28 | O7 | S6 | O4 | 163.8° | 139.8° |
| O7 | C28 | C27 | H27 | 2.7° | 3.6° |
| N31 | S6 | O7 | O5 | 113.8° | 113.8° |
| N31 | S6 | O7 | O4 | 115.9° | 113.6° |
| N31 | S6 | O5 | O4 | 133.5° | 122.5° |
| S6 | N31 | C30 | H301 | 65.9° | 165.4° |
| S6 | N31 | C30 | H302 | 173.8° | 73.8° |
| S6 | N31 | C33 | H33 | 22.2° | 113.7° |
| O7 | S6 | O5 | O4 | 122.2° | 122.5° |
| H81 | C8 | H82 | H83 | 120.0° | 120.0° |
| H11 | C11 | C12 | H12 | 0.8° | 0.3° |
| H182 | C18 | C19 | H191 | 156.2° | 109.0° |
| H182 | C18 | C19 | H192 | 83.6° | 130.9° |
| H181 | C18 | C19 | H191 | 84.7° | 11.1° |
| H181 | C18 | C19 | H192 | 35.5° | 109.0° |
| H211 | C21 | C22 | H221 | 173.1° | 167.7° |
| H211 | C21 | C22 | H222 | 66.8° | 47.7° |
| H212 | C21 | C22 | H221 | 52.3° | 72.4° |
| H212 | C21 | C22 | H222 | 172.4° | 167.6° |
| H26 | C26 | C27 | H27 | 0.6° | 0.5° |
| H323 | C32 | H321 | H322 | 120.0° | 119.9° |
| H323 | C32 | C33 | H33 | 61.4° | 27.9° |
| H321 | C32 | C33 | H33 | 58.7° | 92.1° |
| H322 | C32 | C33 | H33 | 178.7° | 147.8° |
| H342 | C34 | H343 | H341 | 119.9° | 120.0° |
| H35 | C35 | C36 | H36 | 0.3° | 0.1° |
| H41 | C41 | C42 | H422 | 64.1° | 68.9° |
| H41 | C41 | C42 | H421 | 177.4° | 171.1° |
