EPD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C51 | C5 | sing | 1.51Å | 1.51Å | |
| C51 | H511 | sing | 1.09Å | 1.11Å | |
| C51 | H512 | sing | 1.09Å | 1.11Å | |
| C51 | H513 | sing | 1.09Å | 1.12Å | |
| C5 | C4 | doub | 1.31Å | 1.32Å | |
| C5 | C6 | sing | 1.51Å | 1.55Å | |
| C4 | C3 | sing | 1.50Å | 1.50Å | |
| C4 | H4 | sing | 1.08Å | 1.10Å | |
| C3 | C2 | sing | 1.53Å | 1.56Å | |
| C3 | H31 | sing | 1.10Å | 1.11Å | |
| C3 | H32 | sing | 1.08Å | 1.11Å | |
| C2 | C20 | sing | 1.51Å | 1.60Å | |
| C2 | O1 | sing | 1.45Å | 1.77Å | |
| C2 | H2 | sing | 1.09Å | 1.12Å | |
| C20 | C21 | sing | 1.51Å | 1.52Å | |
| C20 | C22 | doub | 1.33Å | 1.35Å | |
| C21 | H211 | sing | 1.09Å | 1.11Å | |
| C21 | H212 | sing | 1.09Å | 1.11Å | |
| C21 | H213 | sing | 1.09Å | 1.12Å | |
| C22 | C23 | sing | 1.48Å | 1.42Å | |
| C22 | H22 | sing | 1.08Å | 1.10Å | |
| C23 | C24 | doub | 1.35Å | 1.29Å | Aromatic |
| C23 | N26 | sing | 1.33Å | 1.43Å | Aromatic |
| C24 | S1 | sing | 1.76Å | 1.74Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 1.10Å | |
| S1 | C25 | sing | 1.71Å | 1.73Å | Aromatic |
| C25 | C27 | sing | 1.51Å | 1.50Å | |
| C25 | N26 | doub | 1.29Å | 1.25Å | Aromatic |
| C27 | H271 | sing | 1.09Å | 1.12Å | |
| C27 | H272 | sing | 1.09Å | 1.11Å | |
| C27 | H273 | sing | 1.09Å | 1.11Å | |
| C6 | C7 | sing | 1.53Å | 1.52Å | |
| C6 | H61 | sing | 1.10Å | 1.12Å | |
| C6 | H62 | sing | 1.08Å | 1.11Å | |
| C7 | C8 | sing | 1.51Å | 1.54Å | |
| C7 | H71 | sing | 1.08Å | 1.11Å | |
| C7 | H72 | sing | 1.11Å | 1.11Å | |
| C8 | C9 | sing | 1.53Å | 1.51Å | |
| C8 | H81 | sing | 1.10Å | 1.11Å | |
| C8 | H82 | sing | 1.09Å | 1.12Å | |
| C9 | C91 | sing | 1.53Å | 1.48Å | |
| C9 | C10 | sing | 1.52Å | 1.61Å | |
| C9 | H9 | sing | 1.10Å | 1.11Å | |
| C91 | H911 | sing | 1.09Å | 1.12Å | |
| C91 | H912 | sing | 1.09Å | 1.12Å | |
| C91 | H913 | sing | 1.09Å | 1.11Å | |
| C10 | O10 | sing | 1.43Å | 1.48Å | |
| C10 | C11 | sing | 1.53Å | 1.58Å | |
| C10 | H10 | sing | 1.09Å | 1.12Å | |
| O10 | H3 | sing | 0.97Å | 0.95Å | |
| C11 | C28 | sing | 1.53Å | 1.52Å | |
| C11 | C12 | sing | 1.51Å | 1.53Å | |
| C11 | H11 | sing | 1.07Å | 1.12Å | |
| C28 | H281 | sing | 1.09Å | 1.12Å | |
| C28 | H282 | sing | 1.09Å | 1.11Å | |
| C28 | H283 | sing | 1.09Å | 1.11Å | |
| C12 | O12 | doub | 1.21Å | 1.24Å | |
| C12 | C13 | sing | 1.50Å | 1.55Å | |
| C13 | C30 | sing | 1.53Å | 1.51Å | |
| C13 | C29 | sing | 1.54Å | 1.53Å | |
| C13 | C14 | sing | 1.52Å | 1.61Å | |
| C30 | H301 | sing | 1.09Å | 1.12Å | |
| C30 | H302 | sing | 1.09Å | 1.11Å | |
| C30 | H303 | sing | 1.09Å | 1.11Å | |
| C29 | H291 | sing | 1.09Å | 1.12Å | |
| C29 | H292 | sing | 1.09Å | 1.12Å | |
| C29 | H293 | sing | 1.09Å | 1.12Å | |
| C14 | O14 | sing | 1.43Å | 1.43Å | |
| C14 | C15 | sing | 1.51Å | 1.50Å | |
| C14 | H14 | sing | 1.11Å | 1.11Å | |
| O14 | H1 | sing | 0.97Å | 0.95Å | |
| C15 | C16 | sing | 1.50Å | 1.57Å | |
| C15 | H151 | sing | 1.08Å | 1.12Å | |
| C15 | H152 | sing | 1.11Å | 1.11Å | |
| C16 | O16 | doub | 1.21Å | 1.21Å | |
| C16 | O1 | sing | 1.34Å | 1.46Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C51 | H511 | 114.9° | 109.5° |
| C5 | C51 | H512 | 110.2° | 109.5° |
| C5 | C51 | H513 | 110.2° | 109.5° |
| C51 | C5 | C4 | 114.9° | 118.6° |
| C51 | C5 | C6 | 120.5° | 119.2° |
| H511 | C51 | H512 | 110.3° | 109.5° |
| H511 | C51 | H513 | 110.2° | 109.5° |
| H512 | C51 | H513 | 100.0° | 109.4° |
| C4 | C5 | C6 | 120.5° | 122.2° |
| C5 | C4 | C3 | 122.4° | 122.4° |
| C5 | C4 | H4 | 112.2° | 118.3° |
| C5 | C6 | C7 | 113.9° | 109.3° |
| C5 | C6 | H61 | 110.6° | 108.9° |
| C5 | C6 | H62 | 110.6° | 109.7° |
| C3 | C4 | H4 | 125.4° | 119.3° |
| C4 | C3 | C2 | 111.4° | 109.9° |
| C4 | C3 | H31 | 111.5° | 108.6° |
| C4 | C3 | H32 | 111.5° | 110.7° |
| C2 | C3 | H31 | 111.5° | 108.9° |
| C2 | C3 | H32 | 111.5° | 110.0° |
| C3 | C2 | C20 | 113.4° | 109.6° |
| C3 | C2 | O1 | 117.6° | 109.6° |
| C3 | C2 | H2 | 97.3° | 109.5° |
| H31 | C3 | H32 | 98.9° | 108.8° |
| C20 | C2 | O1 | 91.2° | 109.0° |
| C20 | C2 | H2 | 121.5° | 109.2° |
| C2 | C20 | C21 | 116.7° | 120.0° |
| C2 | C20 | C22 | 115.8° | 120.0° |
| O1 | C2 | H2 | 117.7° | 109.9° |
| C2 | O1 | C16 | 124.4° | 118.1° |
| C21 | C20 | C22 | 127.3° | 120.0° |
| C20 | C21 | H211 | 116.8° | 109.5° |
| C20 | C21 | H212 | 109.6° | 109.5° |
| C20 | C21 | H213 | 109.6° | 109.5° |
| C20 | C22 | C23 | 124.2° | 120.0° |
| C20 | C22 | H22 | 115.1° | 119.9° |
| H211 | C21 | H212 | 109.5° | 109.5° |
| H211 | C21 | H213 | 109.5° | 109.5° |
| H212 | C21 | H213 | 100.5° | 109.4° |
| C23 | C22 | H22 | 120.7° | 120.1° |
| C22 | C23 | C24 | 132.5° | 123.0° |
| C22 | C23 | N26 | 114.6° | 123.0° |
| C24 | C23 | N26 | 112.8° | 114.0° |
| C23 | C24 | S1 | 113.0° | 107.9° |
| C23 | C24 | H24 | 110.9° | 126.1° |
| C23 | N26 | C25 | 110.8° | 117.1° |
| S1 | C24 | H24 | 136.1° | 126.0° |
| C24 | S1 | C25 | 86.5° | 90.4° |
| S1 | C25 | C27 | 116.7° | 124.7° |
| S1 | C25 | N26 | 116.8° | 110.5° |
| C27 | C25 | N26 | 126.5° | 124.8° |
| C25 | C27 | H271 | 116.7° | 109.5° |
| C25 | C27 | H272 | 109.6° | 109.5° |
| C25 | C27 | H273 | 109.6° | 109.5° |
| H271 | C27 | H272 | 109.6° | 109.4° |
| H271 | C27 | H273 | 109.6° | 109.5° |
| H272 | C27 | H273 | 100.7° | 109.5° |
| C7 | C6 | H61 | 110.6° | 108.6° |
| C7 | C6 | H62 | 110.6° | 110.9° |
| C6 | C7 | C8 | 108.3° | 112.2° |
| C6 | C7 | H71 | 112.7° | 110.6° |
| C6 | C7 | H72 | 112.7° | 106.9° |
| H61 | C6 | H62 | 99.8° | 109.4° |
| C8 | C7 | H71 | 112.6° | 113.2° |
| C8 | C7 | H72 | 112.6° | 107.0° |
| C7 | C8 | C9 | 126.9° | 114.0° |
| C7 | C8 | H81 | 106.1° | 108.7° |
| C7 | C8 | H82 | 106.1° | 109.7° |
| H71 | C7 | H72 | 97.9° | 106.6° |
| C9 | C8 | H81 | 106.1° | 107.5° |
| C9 | C8 | H82 | 106.1° | 109.5° |
| C8 | C9 | C91 | 122.5° | 111.3° |
| C8 | C9 | C10 | 97.1° | 110.6° |
| C8 | C9 | H9 | 107.7° | 107.2° |
| H81 | C8 | H82 | 103.3° | 107.1° |
| C91 | C9 | C10 | 102.6° | 110.7° |
| C91 | C9 | H9 | 102.7° | 108.0° |
| C9 | C91 | H911 | 122.5° | 109.5° |
| C9 | C91 | H912 | 107.6° | 109.4° |
| C9 | C91 | H913 | 107.6° | 109.5° |
| C10 | C9 | H9 | 126.2° | 108.8° |
| C9 | C10 | O10 | 105.6° | 109.8° |
| C9 | C10 | C11 | 116.0° | 111.3° |
| C9 | C10 | H10 | 110.5° | 109.6° |
| H911 | C91 | H912 | 107.5° | 109.4° |
| H911 | C91 | H913 | 107.6° | 109.5° |
| H912 | C91 | H913 | 102.3° | 109.5° |
| O10 | C10 | C11 | 116.2° | 108.7° |
| O10 | C10 | H10 | 110.1° | 109.2° |
| C10 | O10 | H3 | 105.6° | 114.0° |
| C11 | C10 | H10 | 98.2° | 108.2° |
| C10 | C11 | C28 | 114.7° | 108.9° |
| C10 | C11 | C12 | 111.3° | 107.4° |
| C10 | C11 | H11 | 104.0° | 110.8° |
| C28 | C11 | C12 | 108.0° | 108.5° |
| C28 | C11 | H11 | 107.6° | 109.5° |
| C11 | C28 | H281 | 114.7° | 109.5° |
| C11 | C28 | H282 | 110.3° | 109.5° |
| C11 | C28 | H283 | 110.3° | 109.4° |
| C12 | C11 | H11 | 111.2° | 111.7° |
| C11 | C12 | O12 | 114.6° | 116.7° |
| C11 | C12 | C13 | 117.3° | 121.8° |
| H281 | C28 | H282 | 110.3° | 109.5° |
| H281 | C28 | H283 | 110.3° | 109.4° |
| H282 | C28 | H283 | 100.0° | 109.6° |
| O12 | C12 | C13 | 128.1° | 121.5° |
| C12 | C13 | C30 | 114.0° | 110.2° |
| C12 | C13 | C29 | 112.6° | 108.6° |
| C12 | C13 | C14 | 108.7° | 112.1° |
| C30 | C13 | C29 | 112.5° | 107.7° |
| C30 | C13 | C14 | 101.5° | 110.5° |
| C13 | C30 | H301 | 114.0° | 109.4° |
| C13 | C30 | H302 | 110.6° | 109.5° |
| C13 | C30 | H303 | 110.6° | 109.5° |
| C29 | C13 | C14 | 106.5° | 107.5° |
| C13 | C29 | H291 | 112.6° | 109.5° |
| C13 | C29 | H292 | 111.1° | 109.5° |
| C13 | C29 | H293 | 111.1° | 109.5° |
| C13 | C14 | O14 | 113.7° | 111.4° |
| C13 | C14 | C15 | 116.3° | 114.0° |
| C13 | C14 | H14 | 99.4° | 106.8° |
| H301 | C30 | H302 | 110.5° | 109.5° |
| H301 | C30 | H303 | 110.5° | 109.5° |
| H302 | C30 | H303 | 99.8° | 109.5° |
| H291 | C29 | H292 | 111.0° | 109.5° |
| H291 | C29 | H293 | 111.0° | 109.5° |
| H292 | C29 | H293 | 99.3° | 109.4° |
| O14 | C14 | C15 | 101.6° | 110.5° |
| O14 | C14 | H14 | 114.6° | 106.4° |
| C14 | O14 | H1 | 113.7° | 113.9° |
| C15 | C14 | H14 | 111.9° | 107.3° |
| C14 | C15 | C16 | 110.3° | 112.8° |
| C14 | C15 | H151 | 111.9° | 112.4° |
| C14 | C15 | H152 | 111.9° | 107.7° |
| C16 | C15 | H151 | 111.9° | 110.8° |
| C16 | C15 | H152 | 111.9° | 106.6° |
| C15 | C16 | O16 | 119.4° | 120.9° |
| C15 | C16 | O1 | 120.5° | 119.2° |
| H151 | C15 | H152 | 98.5° | 106.0° |
| O16 | C16 | O1 | 120.1° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C51 | H511 | H512 | 125.3° | 120.0° |
| C5 | C51 | H511 | H513 | 125.2° | 120.0° |
| C5 | C51 | H512 | H513 | 116.0° | 120.0° |
| C51 | C5 | C4 | C6 | 157.1° | 179.9° |
| C51 | C5 | C4 | C3 | 170.0° | 179.9° |
| C51 | C5 | C4 | H4 | 10.0° | 0.4° |
| C51 | C5 | C6 | C7 | 56.2° | 72.4° |
| C51 | C5 | C6 | H61 | 178.6° | 46.2° |
| C51 | C5 | C6 | H62 | 69.1° | 165.9° |
| H511 | C51 | H512 | H513 | 116.0° | 120.0° |
| H511 | C51 | C5 | C4 | 180.0° | 0.0° |
| H511 | C51 | C5 | C6 | 22.9° | 179.9° |
| H512 | C51 | C5 | C4 | 54.7° | 120.0° |
| H512 | C51 | C5 | C6 | 102.4° | 59.8° |
| H513 | C51 | C5 | C4 | 54.8° | 120.0° |
| H513 | C51 | C5 | C6 | 148.1° | 60.1° |
| C5 | C4 | C3 | H4 | 180.0° | 179.5° |
| C5 | C4 | C3 | C2 | 124.4° | 96.8° |
| C5 | C4 | C3 | H31 | 110.3° | 144.2° |
| C5 | C4 | C3 | H32 | 0.8° | 24.9° |
| C4 | C5 | C6 | C7 | 148.0° | 107.8° |
| C4 | C5 | C6 | H61 | 22.7° | 133.7° |
| C4 | C5 | C6 | H62 | 86.8° | 14.0° |
| C6 | C5 | C4 | C3 | 12.9° | 0.3° |
| C6 | C5 | C4 | H4 | 167.2° | 179.8° |
| C5 | C6 | C7 | H61 | 125.2° | 118.7° |
| C5 | C6 | C7 | H62 | 125.2° | 121.1° |
| C5 | C6 | H61 | H62 | 116.4° | 119.9° |
| C5 | C6 | C7 | C8 | 74.2° | 179.8° |
| C5 | C6 | C7 | H71 | 160.6° | 52.4° |
| C5 | C6 | C7 | H72 | 51.1° | 63.3° |
| C4 | C3 | C2 | H31 | 125.3° | 118.8° |
| C4 | C3 | C2 | H32 | 125.3° | 122.1° |
| C4 | C3 | H31 | H32 | 117.4° | 120.5° |
| C4 | C3 | C2 | C20 | 178.6° | 63.8° |
| C4 | C3 | C2 | O1 | 76.9° | 176.6° |
| C4 | C3 | C2 | H2 | 49.6° | 56.0° |
| H4 | C4 | C3 | C2 | 55.6° | 83.7° |
| H4 | C4 | C3 | H31 | 69.7° | 35.3° |
| H4 | C4 | C3 | H32 | 179.2° | 154.6° |
| C2 | C3 | H31 | H32 | 117.4° | 119.9° |
| C3 | C2 | C20 | O1 | 120.9° | 119.9° |
| C3 | C2 | C20 | H2 | 115.3° | 120.0° |
| C3 | C2 | O1 | H2 | 115.8° | 120.4° |
| C3 | C2 | C20 | C21 | 162.6° | 65.1° |
| C3 | C2 | C20 | C22 | 14.0° | 115.0° |
| C3 | C2 | O1 | C16 | 105.0° | 107.6° |
| H31 | C3 | C2 | C20 | 53.3° | 55.0° |
| H31 | C3 | C2 | O1 | 157.8° | 64.6° |
| H31 | C3 | C2 | H2 | 75.7° | 174.8° |
| H32 | C3 | C2 | C20 | 56.2° | 174.1° |
| H32 | C3 | C2 | O1 | 48.4° | 54.5° |
| H32 | C3 | C2 | H2 | 174.9° | 66.1° |
| C20 | C2 | O1 | H2 | 126.9° | 119.7° |
| C2 | C20 | C21 | C22 | 176.2° | 179.9° |
| C2 | C20 | C21 | H211 | 180.0° | 95.7° |
| C2 | C20 | C21 | H212 | 54.7° | 144.3° |
| C2 | C20 | C21 | H213 | 54.7° | 24.4° |
| C2 | C20 | C22 | C23 | 178.4° | 173.1° |
| C2 | C20 | C22 | H22 | 1.6° | 6.8° |
| C20 | C2 | O1 | C16 | 137.7° | 132.5° |
| O1 | C2 | C20 | C21 | 41.7° | 54.8° |
| O1 | C2 | C20 | C22 | 134.9° | 125.1° |
| C2 | O1 | C16 | C15 | 176.7° | 172.9° |
| C2 | O1 | C16 | O16 | 2.7° | 7.2° |
| H2 | C2 | C20 | C21 | 82.2° | 174.9° |
| H2 | C2 | C20 | C22 | 101.2° | 5.0° |
| H2 | C2 | O1 | C16 | 10.8° | 12.8° |
| C20 | C21 | H211 | H212 | 125.3° | 120.0° |
| C20 | C21 | H211 | H213 | 125.3° | 120.0° |
| C20 | C21 | H212 | H213 | 115.4° | 120.0° |
| C21 | C20 | C22 | C23 | 2.2° | 6.8° |
| C21 | C20 | C22 | H22 | 177.8° | 173.3° |
| C22 | C20 | C21 | H211 | 3.9° | 84.3° |
| C22 | C20 | C21 | H212 | 121.4° | 35.7° |
| C22 | C20 | C21 | H213 | 129.1° | 155.7° |
| C20 | C22 | C23 | H22 | 180.0° | 179.9° |
| C20 | C22 | C23 | C24 | 171.0° | 174.8° |
| C20 | C22 | C23 | N26 | 12.6° | 4.8° |
| H211 | C21 | H212 | H213 | 115.2° | 120.0° |
| C22 | C23 | C24 | N26 | 176.5° | 179.7° |
| C22 | C23 | C24 | S1 | 178.5° | 179.9° |
| C22 | C23 | C24 | H24 | 1.6° | 0.1° |
| C22 | C23 | N26 | C25 | 179.4° | 179.9° |
| H22 | C22 | C23 | C24 | 9.0° | 5.2° |
| H22 | C22 | C23 | N26 | 167.4° | 175.1° |
| C23 | C24 | S1 | H24 | 180.0° | 180.0° |
| C23 | C24 | S1 | C25 | 1.0° | 0.0° |
| C24 | C23 | N26 | C25 | 2.2° | 0.4° |
| N26 | C23 | C24 | S1 | 2.0° | 0.2° |
| N26 | C23 | C24 | H24 | 178.0° | 179.8° |
| C23 | N26 | C25 | S1 | 1.5° | 0.4° |
| C23 | N26 | C25 | C27 | 178.7° | 179.8° |
| C24 | S1 | C25 | C27 | 179.8° | 180.0° |
| C24 | S1 | C25 | N26 | 0.3° | 0.2° |
| H24 | C24 | S1 | C25 | 179.0° | 180.0° |
| S1 | C25 | C27 | N26 | 179.9° | 179.8° |
| S1 | C25 | C27 | H271 | 180.0° | 0.0° |
| S1 | C25 | C27 | H272 | 54.8° | 120.0° |
| S1 | C25 | C27 | H273 | 54.8° | 120.0° |
| C25 | C27 | H271 | H272 | 125.2° | 120.0° |
| C25 | C27 | H271 | H273 | 125.2° | 120.0° |
| C25 | C27 | H272 | H273 | 115.4° | 120.0° |
| N26 | C25 | C27 | H271 | 0.1° | 179.8° |
| N26 | C25 | C27 | H272 | 125.3° | 59.8° |
| N26 | C25 | C27 | H273 | 125.1° | 60.2° |
| H271 | C27 | H272 | H273 | 115.4° | 120.0° |
| C7 | C6 | H61 | H62 | 116.5° | 121.1° |
| C6 | C7 | C8 | H71 | 125.2° | 126.0° |
| C6 | C7 | C8 | H72 | 125.2° | 116.9° |
| C6 | C7 | H71 | H72 | 118.6° | 115.8° |
| C6 | C7 | C8 | C9 | 101.1° | 71.3° |
| C6 | C7 | C8 | H81 | 133.7° | 168.8° |
| C6 | C7 | C8 | H82 | 24.2° | 52.0° |
| H61 | C6 | C7 | C8 | 51.1° | 61.5° |
| H61 | C6 | C7 | H71 | 74.1° | 171.1° |
| H61 | C6 | C7 | H72 | 176.3° | 55.5° |
| H62 | C6 | C7 | C8 | 160.6° | 58.7° |
| H62 | C6 | C7 | H71 | 35.4° | 68.7° |
| H62 | C6 | C7 | H72 | 74.2° | 175.7° |
| C8 | C7 | H71 | H72 | 118.6° | 117.4° |
| C7 | C8 | C9 | H81 | 125.3° | 120.6° |
| C7 | C8 | C9 | H82 | 125.3° | 123.4° |
| C7 | C8 | H81 | H82 | 111.4° | 118.5° |
| C7 | C8 | C9 | C91 | 71.8° | 37.1° |
| C7 | C8 | C9 | C10 | 178.3° | 86.4° |
| C7 | C8 | C9 | H9 | 46.7° | 155.1° |
| H71 | C7 | C8 | C9 | 24.2° | 54.7° |
| H71 | C7 | C8 | H81 | 101.1° | 65.2° |
| H71 | C7 | C8 | H82 | 149.4° | 178.0° |
| H72 | C7 | C8 | C9 | 133.7° | 171.8° |
| H72 | C7 | C8 | H81 | 8.4° | 51.9° |
| H72 | C7 | C8 | H82 | 101.1° | 64.9° |
| C9 | C8 | H81 | H82 | 111.4° | 117.6° |
| C8 | C9 | C91 | C10 | 107.0° | 123.5° |
| C8 | C9 | C91 | H9 | 120.9° | 117.5° |
| C8 | C9 | C10 | H9 | 118.1° | 117.6° |
| C8 | C9 | C91 | H911 | 180.0° | 60.1° |
| C8 | C9 | C91 | H912 | 54.8° | 180.0° |
| C8 | C9 | C91 | H913 | 54.7° | 60.0° |
| C8 | C9 | C10 | O10 | 61.7° | 41.0° |
| C8 | C9 | C10 | C11 | 168.0° | 161.5° |
| C8 | C9 | C10 | H10 | 57.4° | 78.9° |
| H81 | C8 | C9 | C91 | 162.9° | 83.5° |
| H81 | C8 | C9 | C10 | 53.0° | 153.0° |
| H81 | C8 | C9 | H9 | 78.6° | 34.5° |
| H82 | C8 | C9 | C91 | 53.5° | 160.5° |
| H82 | C8 | C9 | C10 | 56.4° | 36.9° |
| H82 | C8 | C9 | H9 | 171.9° | 81.6° |
| C91 | C9 | C10 | H9 | 116.2° | 118.6° |
| C9 | C91 | H911 | H912 | 125.2° | 119.9° |
| C9 | C91 | H911 | H913 | 125.3° | 120.0° |
| C9 | C91 | H912 | H913 | 113.1° | 120.0° |
| C91 | C9 | C10 | O10 | 172.7° | 164.9° |
| C91 | C9 | C10 | C11 | 42.4° | 74.6° |
| C91 | C9 | C10 | H10 | 68.2° | 45.0° |
| C10 | C9 | C91 | H911 | 73.0° | 176.5° |
| C10 | C9 | C91 | H912 | 52.2° | 56.5° |
| C10 | C9 | C91 | H913 | 161.7° | 63.5° |
| C9 | C10 | O10 | C11 | 130.2° | 122.0° |
| C9 | C10 | O10 | H10 | 119.4° | 120.2° |
| C9 | C10 | C11 | H10 | 117.6° | 120.5° |
| C9 | C10 | O10 | H3 | 180.0° | 180.0° |
| C9 | C10 | C11 | C28 | 65.3° | 91.3° |
| C9 | C10 | C11 | C12 | 171.7° | 151.4° |
| C9 | C10 | C11 | H11 | 52.0° | 29.1° |
| H9 | C9 | C91 | H911 | 59.2° | 57.4° |
| H9 | C9 | C91 | H912 | 175.7° | 62.5° |
| H9 | C9 | C91 | H913 | 66.2° | 177.5° |
| H9 | C9 | C10 | O10 | 56.4° | 76.5° |
| H9 | C9 | C10 | C11 | 73.9° | 43.9° |
| H9 | C9 | C10 | H10 | 175.5° | 163.5° |
| H911 | C91 | H912 | H913 | 113.2° | 120.1° |
| O10 | C10 | C11 | H10 | 117.3° | 118.4° |
| O10 | C10 | C11 | C28 | 59.8° | 29.8° |
| O10 | C10 | C11 | C12 | 63.2° | 87.5° |
| O10 | C10 | C11 | H11 | 177.0° | 150.2° |
| C11 | C10 | O10 | H3 | 49.9° | 58.0° |
| C10 | C11 | C28 | C12 | 124.8° | 116.6° |
| C10 | C11 | C28 | H11 | 115.1° | 121.2° |
| C10 | C11 | C12 | H11 | 115.4° | 121.7° |
| C10 | C11 | C28 | H281 | 180.0° | 60.0° |
| C10 | C11 | C28 | H282 | 54.8° | 180.0° |
| C10 | C11 | C28 | H283 | 54.8° | 60.0° |
| C10 | C11 | C12 | O12 | 76.2° | 53.8° |
| C10 | C11 | C12 | C13 | 102.7° | 126.7° |
| H10 | C10 | O10 | H3 | 60.6° | 59.8° |
| H10 | C10 | C11 | C28 | 177.1° | 148.2° |
| H10 | C10 | C11 | C12 | 54.1° | 30.9° |
| H10 | C10 | C11 | H11 | 65.7° | 91.3° |
| C28 | C11 | C12 | H11 | 117.8° | 120.8° |
| C11 | C28 | H281 | H282 | 125.2° | 120.0° |
| C11 | C28 | H281 | H283 | 125.2° | 119.9° |
| C11 | C28 | H282 | H283 | 116.1° | 120.0° |
| C28 | C11 | C12 | O12 | 50.6° | 63.8° |
| C28 | C11 | C12 | C13 | 130.5° | 115.8° |
| C12 | C11 | C28 | H281 | 55.2° | 56.6° |
| C12 | C11 | C28 | H282 | 179.6° | 63.4° |
| C12 | C11 | C28 | H283 | 70.0° | 176.5° |
| C11 | C12 | O12 | C13 | 178.8° | 179.5° |
| C11 | C12 | C13 | C30 | 59.7° | 40.4° |
| C11 | C12 | C13 | C29 | 170.5° | 77.3° |
| C11 | C12 | C13 | C14 | 52.7° | 164.0° |
| H11 | C11 | C28 | H281 | 64.9° | 178.8° |
| H11 | C11 | C28 | H282 | 60.3° | 58.8° |
| H11 | C11 | C28 | H283 | 169.9° | 61.3° |
| H11 | C11 | C12 | O12 | 168.4° | 175.4° |
| H11 | C11 | C12 | C13 | 12.7° | 5.0° |
| H281 | C28 | H282 | H283 | 116.2° | 120.0° |
| O12 | C12 | C13 | C30 | 121.5° | 140.1° |
| O12 | C12 | C13 | C29 | 8.2° | 102.2° |
| O12 | C12 | C13 | C14 | 126.1° | 16.5° |
| C12 | C13 | C30 | C29 | 129.8° | 118.3° |
| C12 | C13 | C30 | C14 | 116.7° | 124.5° |
| C12 | C13 | C29 | C14 | 119.1° | 121.5° |
| C12 | C13 | C30 | H301 | 180.0° | 60.1° |
| C12 | C13 | C30 | H302 | 54.7° | 180.0° |
| C12 | C13 | C30 | H303 | 54.8° | 59.9° |
| C12 | C13 | C29 | H291 | 180.0° | 60.0° |
| C12 | C13 | C29 | H292 | 54.7° | 180.0° |
| C12 | C13 | C29 | H293 | 54.8° | 60.0° |
| C12 | C13 | C14 | O14 | 169.7° | 31.1° |
| C12 | C13 | C14 | C15 | 72.8° | 94.8° |
| C12 | C13 | C14 | H14 | 47.4° | 146.9° |
| C30 | C13 | C29 | C14 | 110.4° | 119.2° |
| C13 | C30 | H301 | H302 | 125.3° | 120.0° |
| C13 | C30 | H301 | H303 | 125.2° | 120.0° |
| C13 | C30 | H302 | H303 | 116.4° | 120.0° |
| C30 | C13 | C29 | H291 | 49.5° | 179.3° |
| C30 | C13 | C29 | H292 | 75.8° | 60.7° |
| C30 | C13 | C29 | H293 | 174.7° | 59.2° |
| C30 | C13 | C14 | O14 | 49.2° | 154.4° |
| C30 | C13 | C14 | C15 | 166.7° | 28.6° |
| C30 | C13 | C14 | H14 | 73.1° | 89.7° |
| C29 | C13 | C30 | H301 | 50.2° | 58.2° |
| C29 | C13 | C30 | H302 | 175.5° | 61.8° |
| C29 | C13 | C30 | H303 | 75.0° | 178.2° |
| C13 | C29 | H291 | H292 | 125.3° | 120.0° |
| C13 | C29 | H291 | H293 | 125.3° | 120.0° |
| C13 | C29 | H292 | H293 | 117.0° | 120.0° |
| C29 | C13 | C14 | O14 | 68.7° | 88.2° |
| C29 | C13 | C14 | C15 | 48.8° | 146.0° |
| C29 | C13 | C14 | H14 | 169.0° | 27.7° |
| C14 | C13 | C30 | H301 | 63.3° | 175.4° |
| C14 | C13 | C30 | H302 | 61.9° | 55.5° |
| C14 | C13 | C30 | H303 | 171.5° | 64.6° |
| C14 | C13 | C29 | H291 | 60.9° | 61.6° |
| C14 | C13 | C29 | H292 | 173.8° | 58.5° |
| C14 | C13 | C29 | H293 | 64.3° | 178.4° |
| C13 | C14 | O14 | C15 | 125.7° | 127.8° |
| C13 | C14 | O14 | H14 | 113.4° | 116.1° |
| C13 | C14 | C15 | H14 | 113.2° | 118.0° |
| C13 | C14 | O14 | H1 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 174.7° | 63.1° |
| C13 | C14 | C15 | H151 | 60.1° | 63.1° |
| C13 | C14 | C15 | H152 | 49.4° | 179.5° |
| H301 | C30 | H302 | H303 | 116.3° | 120.0° |
| H291 | C29 | H292 | H293 | 116.9° | 120.0° |
| O14 | C14 | C15 | H14 | 122.8° | 115.6° |
| O14 | C14 | C15 | C16 | 61.3° | 63.2° |
| O14 | C14 | C15 | H151 | 63.9° | 170.6° |
| O14 | C14 | C15 | H152 | 173.4° | 54.2° |
| C15 | C14 | O14 | H1 | 54.3° | 52.3° |
| C14 | C15 | C16 | H151 | 125.2° | 127.1° |
| C14 | C15 | C16 | H152 | 125.3° | 118.0° |
| C14 | C15 | H151 | H152 | 117.8° | 117.4° |
| C14 | C15 | C16 | O16 | 163.8° | 17.6° |
| C14 | C15 | C16 | O1 | 16.8° | 162.3° |
| H14 | C14 | O14 | H1 | 66.6° | 63.9° |
| H14 | C14 | C15 | C16 | 61.4° | 178.9° |
| H14 | C14 | C15 | H151 | 173.3° | 54.9° |
| H14 | C14 | C15 | H152 | 63.9° | 61.4° |
| C16 | C15 | H151 | H152 | 117.8° | 115.3° |
| C15 | C16 | O16 | O1 | 179.4° | 179.9° |
| H151 | C15 | C16 | O16 | 38.6° | 144.6° |
| H151 | C15 | C16 | O1 | 142.0° | 35.3° |
| H152 | C15 | C16 | O16 | 70.9° | 100.5° |
| H152 | C15 | C16 | O1 | 108.5° | 79.6° |
