MMP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N1 | sing | 1.47Å | 1.53Å | |
| C1 | H11 | sing | 1.09Å | 1.11Å | |
| C1 | H12 | sing | 1.09Å | 1.11Å | |
| C1 | H13 | sing | 1.09Å | 1.12Å | |
| N1 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| N1 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.46Å | Aromatic |
| C11 | C45 | sing | 1.42Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.41Å | 1.35Å | Aromatic |
| C12 | C16 | sing | 1.48Å | 1.53Å | |
| C13 | C14 | doub | 1.38Å | 1.46Å | Aromatic |
| C13 | C17 | sing | 1.48Å | 1.52Å | |
| C14 | C15 | sing | 1.42Å | 1.39Å | Aromatic |
| C15 | C21 | doub | 1.34Å | 1.39Å | Aromatic |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.10Å | 1.11Å | |
| C16 | H162 | sing | 1.10Å | 1.12Å | |
| C16 | H163 | sing | 1.10Å | 1.11Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C17 | H171 | sing | 1.11Å | 1.11Å | |
| C17 | H172 | sing | 1.11Å | 1.12Å | |
| C18 | H181 | sing | 1.10Å | 1.11Å | |
| C18 | H182 | sing | 1.09Å | 1.12Å | |
| C18 | H183 | sing | 1.10Å | 1.11Å | |
| N2 | C21 | sing | 1.37Å | 1.38Å | Aromatic |
| N2 | C24 | doub | 1.30Å | 1.37Å | Aromatic |
| C21 | C22 | sing | 1.46Å | 1.44Å | |
| C22 | C23 | doub | 1.34Å | 1.35Å | |
| C22 | C26 | sing | 1.49Å | 1.53Å | |
| C23 | C24 | sing | 1.48Å | 1.44Å | |
| C23 | C27 | sing | 1.48Å | 1.52Å | |
| C24 | C25 | sing | 1.48Å | 1.38Å | Aromatic |
| C25 | C31 | doub | 1.34Å | 1.37Å | Aromatic |
| C25 | H25 | sing | 1.08Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.11Å | |
| C26 | H262 | sing | 1.09Å | 1.12Å | |
| C26 | H263 | sing | 1.09Å | 1.11Å | |
| C27 | C28 | sing | 1.52Å | 1.51Å | |
| C27 | H271 | sing | 1.10Å | 1.12Å | |
| C27 | H272 | sing | 1.10Å | 1.11Å | |
| C28 | H281 | sing | 1.09Å | 1.11Å | |
| C28 | H282 | sing | 1.09Å | 1.11Å | |
| C28 | H283 | sing | 1.09Å | 1.12Å | |
| N3 | C31 | sing | 1.37Å | 1.39Å | Aromatic |
| N3 | C34 | sing | 1.37Å | 1.37Å | Aromatic |
| N3 | HN3 | sing | 1.01Å | 1.02Å | |
| C31 | C32 | sing | 1.47Å | 1.44Å | Aromatic |
| C32 | C33 | doub | 1.35Å | 1.33Å | Aromatic |
| C32 | C36 | sing | 1.49Å | 1.52Å | |
| C33 | C34 | sing | 1.47Å | 1.45Å | Aromatic |
| C33 | C37 | sing | 1.49Å | 1.53Å | |
| C34 | C35 | doub | 1.34Å | 1.38Å | Aromatic |
| C35 | C41 | sing | 1.48Å | 1.38Å | Aromatic |
| C35 | H35 | sing | 1.08Å | 1.10Å | |
| C36 | H361 | sing | 1.09Å | 1.12Å | |
| C36 | H362 | sing | 1.09Å | 1.11Å | |
| C36 | H363 | sing | 1.09Å | 1.11Å | |
| C37 | C38 | sing | 1.52Å | 1.51Å | |
| C37 | H371 | sing | 1.10Å | 1.12Å | |
| C37 | H372 | sing | 1.09Å | 1.12Å | |
| C38 | C39 | sing | 1.51Å | 1.51Å | |
| C38 | H381 | sing | 1.10Å | 1.11Å | |
| C38 | H382 | sing | 1.10Å | 1.11Å | |
| C39 | O31 | sing | 1.36Å | 1.25Å | |
| C39 | O32 | doub | 1.22Å | 1.25Å | |
| O31 | HO31 | sing | 0.98Å | 0.95Å | |
| N4 | C41 | doub | 1.30Å | 1.36Å | Aromatic |
| N4 | C44 | sing | 1.38Å | 1.38Å | Aromatic |
| C41 | C42 | sing | 1.48Å | 1.44Å | |
| C42 | C43 | doub | 1.34Å | 1.36Å | |
| C42 | C47 | sing | 1.48Å | 1.51Å | |
| C43 | C44 | sing | 1.46Å | 1.45Å | |
| C43 | C46 | sing | 1.49Å | 1.51Å | |
| C44 | C45 | doub | 1.34Å | 1.38Å | Aromatic |
| C45 | H45 | sing | 1.09Å | 1.10Å | |
| C46 | H461 | sing | 1.09Å | 1.11Å | |
| C46 | H462 | sing | 1.09Å | 1.12Å | |
| C46 | H463 | sing | 1.09Å | 1.11Å | |
| C47 | C48 | sing | 1.52Å | 1.53Å | |
| C47 | H471 | sing | 1.10Å | 1.12Å | |
| C47 | H472 | sing | 1.10Å | 1.12Å | |
| C48 | C49 | sing | 1.51Å | 1.51Å | |
| C48 | H481 | sing | 1.10Å | 1.11Å | |
| C48 | H482 | sing | 1.10Å | 1.12Å | |
| C49 | O41 | sing | 1.36Å | 1.25Å | |
| C49 | O42 | doub | 1.22Å | 1.25Å | |
| O41 | HO41 | sing | 0.98Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C1 | H11 | 118.4° | 108.0° |
| N1 | C1 | H12 | 109.0° | 109.4° |
| N1 | C1 | H13 | 109.0° | 109.3° |
| C1 | N1 | C11 | 118.4° | 118.2° |
| C1 | N1 | C14 | 118.8° | 118.2° |
| H11 | C1 | H12 | 109.0° | 110.5° |
| H11 | C1 | H13 | 108.9° | 110.5° |
| H12 | C1 | H13 | 101.1° | 109.1° |
| C11 | N1 | C14 | 108.1° | 110.3° |
| N1 | C11 | C12 | 108.2° | 106.9° |
| N1 | C11 | C45 | 123.4° | 123.0° |
| N1 | C14 | C13 | 107.9° | 106.9° |
| N1 | C14 | C15 | 125.8° | 122.9° |
| C12 | C11 | C45 | 128.2° | 130.1° |
| C11 | C12 | C13 | 107.8° | 107.9° |
| C11 | C12 | C16 | 125.2° | 126.3° |
| C11 | C45 | C44 | 124.1° | 126.8° |
| C11 | C45 | H45 | 118.4° | 115.0° |
| C13 | C12 | C16 | 127.0° | 125.7° |
| C12 | C13 | C14 | 108.0° | 107.9° |
| C12 | C13 | C17 | 126.9° | 125.7° |
| C12 | C16 | H161 | 125.2° | 110.9° |
| C12 | C16 | H162 | 106.6° | 111.8° |
| C12 | C16 | H163 | 106.7° | 111.8° |
| C14 | C13 | C17 | 123.6° | 126.3° |
| C13 | C14 | C15 | 126.3° | 130.1° |
| C13 | C17 | C18 | 112.0° | 112.7° |
| C13 | C17 | H171 | 111.3° | 111.0° |
| C13 | C17 | H172 | 111.2° | 110.9° |
| C14 | C15 | C21 | 128.2° | 126.8° |
| C14 | C15 | H15 | 115.8° | 114.9° |
| C21 | C15 | H15 | 115.9° | 118.2° |
| C15 | C21 | N2 | 122.8° | 126.8° |
| C15 | C21 | C22 | 129.1° | 125.2° |
| H161 | C16 | H162 | 106.6° | 107.9° |
| H161 | C16 | H163 | 106.7° | 107.9° |
| H162 | C16 | H163 | 102.9° | 106.3° |
| C18 | C17 | H171 | 111.3° | 108.5° |
| C18 | C17 | H172 | 111.3° | 108.5° |
| C17 | C18 | H181 | 112.0° | 110.8° |
| C17 | C18 | H182 | 111.3° | 111.1° |
| C17 | C18 | H183 | 111.3° | 110.8° |
| H171 | C17 | H172 | 99.1° | 104.8° |
| H181 | C18 | H182 | 111.3° | 108.0° |
| H181 | C18 | H183 | 111.3° | 107.9° |
| H182 | C18 | H183 | 99.1° | 108.1° |
| C21 | N2 | C24 | 108.1° | 105.7° |
| N2 | C21 | C22 | 108.1° | 108.0° |
| N2 | C24 | C23 | 108.1° | 114.8° |
| N2 | C24 | C25 | 123.5° | 126.7° |
| C21 | C22 | C23 | 107.7° | 110.1° |
| C21 | C22 | C26 | 124.6° | 122.8° |
| C23 | C22 | C26 | 127.8° | 127.1° |
| C22 | C23 | C24 | 108.0° | 101.3° |
| C22 | C23 | C27 | 126.2° | 132.0° |
| C22 | C26 | H261 | 124.5° | 109.8° |
| C22 | C26 | H262 | 106.8° | 109.9° |
| C22 | C26 | H263 | 106.8° | 109.8° |
| C24 | C23 | C27 | 125.4° | 126.6° |
| C23 | C24 | C25 | 128.3° | 118.5° |
| C23 | C27 | C28 | 112.1° | 110.9° |
| C23 | C27 | H271 | 111.2° | 109.2° |
| C23 | C27 | H272 | 111.2° | 108.7° |
| C24 | C25 | C31 | 128.7° | 122.1° |
| C24 | C25 | H25 | 116.1° | 117.5° |
| C31 | C25 | H25 | 115.3° | 120.5° |
| C25 | C31 | N3 | 123.9° | 129.4° |
| C25 | C31 | C32 | 127.2° | 125.4° |
| H261 | C26 | H262 | 106.9° | 109.3° |
| H261 | C26 | H263 | 106.9° | 109.3° |
| H262 | C26 | H263 | 102.8° | 108.8° |
| C28 | C27 | H271 | 111.2° | 110.1° |
| C28 | C27 | H272 | 111.3° | 110.0° |
| C27 | C28 | H281 | 112.1° | 110.9° |
| C27 | C28 | H282 | 111.2° | 110.8° |
| C27 | C28 | H283 | 111.2° | 110.9° |
| H271 | C27 | H272 | 99.1° | 107.9° |
| H281 | C28 | H282 | 111.3° | 108.3° |
| H281 | C28 | H283 | 111.2° | 108.2° |
| H282 | C28 | H283 | 99.1° | 107.6° |
| C31 | N3 | C34 | 107.9° | 112.8° |
| C31 | N3 | HN3 | 112.8° | 123.6° |
| N3 | C31 | C32 | 108.9° | 105.2° |
| C34 | N3 | HN3 | 112.8° | 123.6° |
| N3 | C34 | C33 | 106.8° | 105.2° |
| N3 | C34 | C35 | 125.1° | 129.4° |
| C31 | C32 | C33 | 106.6° | 108.4° |
| C31 | C32 | C36 | 125.5° | 122.8° |
| C33 | C32 | C36 | 127.9° | 128.8° |
| C32 | C33 | C34 | 109.8° | 108.4° |
| C32 | C33 | C37 | 128.8° | 128.7° |
| C32 | C36 | H361 | 125.4° | 109.9° |
| C32 | C36 | H362 | 106.6° | 110.0° |
| C32 | C36 | H363 | 106.6° | 109.9° |
| C34 | C33 | C37 | 121.4° | 122.8° |
| C33 | C34 | C35 | 128.0° | 125.4° |
| C33 | C37 | C38 | 113.7° | 110.4° |
| C33 | C37 | H371 | 110.7° | 107.0° |
| C33 | C37 | H372 | 110.7° | 108.8° |
| C34 | C35 | C41 | 129.9° | 122.0° |
| C34 | C35 | H35 | 114.9° | 120.5° |
| C41 | C35 | H35 | 115.2° | 117.4° |
| C35 | C41 | N4 | 123.9° | 126.7° |
| C35 | C41 | C42 | 126.9° | 118.5° |
| H361 | C36 | H362 | 106.5° | 109.1° |
| H361 | C36 | H363 | 106.6° | 109.1° |
| H362 | C36 | H363 | 103.1° | 108.7° |
| C38 | C37 | H371 | 110.6° | 109.5° |
| C38 | C37 | H372 | 110.7° | 112.2° |
| C37 | C38 | C39 | 111.9° | 111.2° |
| C37 | C38 | H381 | 111.3° | 109.7° |
| C37 | C38 | H382 | 111.3° | 113.0° |
| H371 | C37 | H372 | 99.6° | 108.7° |
| C39 | C38 | H381 | 111.3° | 106.5° |
| C39 | C38 | H382 | 111.3° | 109.8° |
| C38 | C39 | O31 | 118.5° | 112.6° |
| C38 | C39 | O32 | 118.5° | 124.0° |
| H381 | C38 | H382 | 99.1° | 106.2° |
| O31 | C39 | O32 | 123.0° | 123.4° |
| C39 | O31 | HO31 | 118.5° | 115.2° |
| C41 | N4 | C44 | 108.0° | 105.7° |
| N4 | C41 | C42 | 109.1° | 114.9° |
| N4 | C44 | C43 | 108.2° | 108.0° |
| N4 | C44 | C45 | 123.2° | 126.8° |
| C41 | C42 | C43 | 107.3° | 101.3° |
| C41 | C42 | C47 | 125.6° | 126.7° |
| C43 | C42 | C47 | 126.9° | 132.0° |
| C42 | C43 | C44 | 107.3° | 110.1° |
| C42 | C43 | C46 | 126.3° | 127.0° |
| C42 | C47 | C48 | 109.2° | 110.8° |
| C42 | C47 | H471 | 112.3° | 107.5° |
| C42 | C47 | H472 | 112.3° | 109.3° |
| C44 | C43 | C46 | 126.3° | 122.8° |
| C43 | C44 | C45 | 128.5° | 125.2° |
| C43 | C46 | H461 | 126.3° | 109.9° |
| C43 | C46 | H462 | 106.3° | 109.9° |
| C43 | C46 | H463 | 106.3° | 109.8° |
| C44 | C45 | H45 | 117.6° | 118.2° |
| H461 | C46 | H462 | 106.2° | 109.2° |
| H461 | C46 | H463 | 106.3° | 109.2° |
| H462 | C46 | H463 | 103.2° | 108.8° |
| C48 | C47 | H471 | 112.3° | 109.2° |
| C48 | C47 | H472 | 112.3° | 111.7° |
| C47 | C48 | C49 | 112.8° | 111.2° |
| C47 | C48 | H481 | 111.0° | 110.0° |
| C47 | C48 | H482 | 111.0° | 112.8° |
| H471 | C47 | H472 | 98.1° | 108.2° |
| C49 | C48 | H481 | 111.0° | 106.4° |
| C49 | C48 | H482 | 111.0° | 109.8° |
| C48 | C49 | O41 | 118.5° | 112.6° |
| C48 | C49 | O42 | 118.4° | 124.0° |
| H481 | C48 | H482 | 99.3° | 106.2° |
| O41 | C49 | O42 | 123.1° | 123.4° |
| C49 | O41 | HO41 | 118.6° | 115.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C1 | H11 | H12 | 125.3° | 119.7° |
| N1 | C1 | H11 | H13 | 125.2° | 119.5° |
| N1 | C1 | H12 | H13 | 114.7° | 119.6° |
| C1 | N1 | C11 | C14 | 138.8° | 140.4° |
| C1 | N1 | C11 | C12 | 139.1° | 141.4° |
| C1 | N1 | C11 | C45 | 44.1° | 36.1° |
| C1 | N1 | C14 | C13 | 138.8° | 141.4° |
| C1 | N1 | C14 | C15 | 42.5° | 36.0° |
| H11 | C1 | H12 | H13 | 114.7° | 121.6° |
| H11 | C1 | N1 | C11 | 179.9° | 101.5° |
| H11 | C1 | N1 | C14 | 45.6° | 121.2° |
| H12 | C1 | N1 | C11 | 54.7° | 18.8° |
| H12 | C1 | N1 | C14 | 79.7° | 118.5° |
| H13 | C1 | N1 | C11 | 54.8° | 138.3° |
| H13 | C1 | N1 | C14 | 170.8° | 1.0° |
| N1 | C11 | C12 | C45 | 176.6° | 177.2° |
| N1 | C11 | C12 | C13 | 0.2° | 0.6° |
| N1 | C11 | C12 | C16 | 179.7° | 179.9° |
| C11 | N1 | C14 | C13 | 0.2° | 1.0° |
| C11 | N1 | C14 | C15 | 178.8° | 176.5° |
| N1 | C11 | C45 | C44 | 47.1° | 21.4° |
| N1 | C11 | C45 | H45 | 133.0° | 160.3° |
| C14 | N1 | C11 | C12 | 0.2° | 1.0° |
| C14 | N1 | C11 | C45 | 177.1° | 176.5° |
| N1 | C14 | C13 | C12 | 0.0° | 0.6° |
| N1 | C14 | C13 | C15 | 178.7° | 177.2° |
| N1 | C14 | C13 | C17 | 166.5° | 179.8° |
| N1 | C14 | C15 | C21 | 28.7° | 21.4° |
| N1 | C14 | C15 | H15 | 151.4° | 160.2° |
| C11 | C12 | C13 | C16 | 179.9° | 179.3° |
| C11 | C12 | C13 | C14 | 0.1° | 0.0° |
| C11 | C12 | C13 | C17 | 165.8° | 179.3° |
| C11 | C12 | C16 | H161 | 179.9° | 170.7° |
| C11 | C12 | C16 | H162 | 54.7° | 68.8° |
| C11 | C12 | C16 | H163 | 54.7° | 50.3° |
| C12 | C11 | C45 | C44 | 129.1° | 161.7° |
| C12 | C11 | C45 | H45 | 50.9° | 16.6° |
| C45 | C11 | C12 | C13 | 176.9° | 176.7° |
| C45 | C11 | C12 | C16 | 3.1° | 2.6° |
| C11 | C45 | C44 | N4 | 19.4° | 0.5° |
| C11 | C45 | C44 | C43 | 158.2° | 179.2° |
| C11 | C45 | C44 | H45 | 180.0° | 178.3° |
| C12 | C13 | C14 | C17 | 166.5° | 179.3° |
| C12 | C13 | C14 | C15 | 178.7° | 176.6° |
| C13 | C12 | C16 | H161 | 0.0° | 10.1° |
| C13 | C12 | C16 | H162 | 125.2° | 110.4° |
| C13 | C12 | C16 | H163 | 125.4° | 130.6° |
| C12 | C13 | C17 | C18 | 68.1° | 90.0° |
| C12 | C13 | C17 | H171 | 166.6° | 148.0° |
| C12 | C13 | C17 | H172 | 57.2° | 32.0° |
| C16 | C12 | C13 | C14 | 179.8° | 179.3° |
| C16 | C12 | C13 | C17 | 14.3° | 0.0° |
| C12 | C16 | H161 | H162 | 125.2° | 122.8° |
| C12 | C16 | H161 | H163 | 125.4° | 122.8° |
| C12 | C16 | H162 | H163 | 112.1° | 122.3° |
| C13 | C14 | C15 | C21 | 149.8° | 161.8° |
| C13 | C14 | C15 | H15 | 30.2° | 16.5° |
| C14 | C13 | C17 | C18 | 95.8° | 90.9° |
| C14 | C13 | C17 | H171 | 29.5° | 31.1° |
| C14 | C13 | C17 | H172 | 139.0° | 147.2° |
| C17 | C13 | C14 | C15 | 14.8° | 2.7° |
| C13 | C17 | C18 | H171 | 125.3° | 123.4° |
| C13 | C17 | C18 | H172 | 125.2° | 123.3° |
| C13 | C17 | H171 | H172 | 117.1° | 119.8° |
| C13 | C17 | C18 | H181 | 180.0° | 59.9° |
| C13 | C17 | C18 | H182 | 54.7° | 180.0° |
| C13 | C17 | C18 | H183 | 54.7° | 59.8° |
| C14 | C15 | C21 | H15 | 179.9° | 178.3° |
| C14 | C15 | C21 | N2 | 2.2° | 0.6° |
| C14 | C15 | C21 | C22 | 179.5° | 179.1° |
| C15 | C21 | N2 | C22 | 178.6° | 178.7° |
| C15 | C21 | N2 | C24 | 179.0° | 178.7° |
| C15 | C21 | C22 | C23 | 179.3° | 178.6° |
| C15 | C21 | C22 | C26 | 1.4° | 1.4° |
| H15 | C15 | C21 | N2 | 177.8° | 177.7° |
| H15 | C15 | C21 | C22 | 0.5° | 0.8° |
| H161 | C16 | H162 | H163 | 112.1° | 115.5° |
| C18 | C17 | H171 | H172 | 117.2° | 115.8° |
| C17 | C18 | H181 | H182 | 125.2° | 122.0° |
| C17 | C18 | H181 | H183 | 125.3° | 121.5° |
| C17 | C18 | H182 | H183 | 117.1° | 121.8° |
| H171 | C17 | C18 | H181 | 54.8° | 176.7° |
| H171 | C17 | C18 | H182 | 180.0° | 56.6° |
| H171 | C17 | C18 | H183 | 70.6° | 63.5° |
| H172 | C17 | C18 | H181 | 54.7° | 63.4° |
| H172 | C17 | C18 | H182 | 70.5° | 56.7° |
| H172 | C17 | C18 | H183 | 179.9° | 176.9° |
| H181 | C18 | H182 | H183 | 117.2° | 116.5° |
| N2 | C21 | C22 | C23 | 0.8° | 0.1° |
| N2 | C21 | C22 | C26 | 179.9° | 179.8° |
| C21 | N2 | C24 | C23 | 0.2° | 0.0° |
| C21 | N2 | C24 | C25 | 177.4° | 179.0° |
| C24 | N2 | C21 | C22 | 0.4° | 0.1° |
| N2 | C24 | C23 | C22 | 0.7° | 0.1° |
| N2 | C24 | C23 | C25 | 177.4° | 179.1° |
| N2 | C24 | C23 | C27 | 172.9° | 179.6° |
| N2 | C24 | C25 | C31 | 5.9° | 10.2° |
| N2 | C24 | C25 | H25 | 174.2° | 169.8° |
| C21 | C22 | C23 | C26 | 179.2° | 180.0° |
| C21 | C22 | C23 | C24 | 0.9° | 0.1° |
| C21 | C22 | C23 | C27 | 173.0° | 179.6° |
| C21 | C22 | C26 | H261 | 180.0° | 143.0° |
| C21 | C22 | C26 | H262 | 54.8° | 22.8° |
| C21 | C22 | C26 | H263 | 54.7° | 96.9° |
| C22 | C23 | C24 | C27 | 172.2° | 179.5° |
| C22 | C23 | C24 | C25 | 176.7° | 179.2° |
| C23 | C22 | C26 | H261 | 0.9° | 37.1° |
| C23 | C22 | C26 | H262 | 126.1° | 157.2° |
| C23 | C22 | C26 | H263 | 124.4° | 83.1° |
| C22 | C23 | C27 | C28 | 121.9° | 90.0° |
| C22 | C23 | C27 | H271 | 112.8° | 148.6° |
| C22 | C23 | C27 | H272 | 3.4° | 31.1° |
| C26 | C22 | C23 | C24 | 179.8° | 179.8° |
| C26 | C22 | C23 | C27 | 7.7° | 0.3° |
| C22 | C26 | H261 | H262 | 125.2° | 120.5° |
| C22 | C26 | H261 | H263 | 125.3° | 120.5° |
| C22 | C26 | H262 | H263 | 112.3° | 120.3° |
| C23 | C24 | C25 | C31 | 171.2° | 170.8° |
| C23 | C24 | C25 | H25 | 8.8° | 9.2° |
| C24 | C23 | C27 | C28 | 67.3° | 90.7° |
| C24 | C23 | C27 | H271 | 57.9° | 30.8° |
| C24 | C23 | C27 | H272 | 167.4° | 148.3° |
| C27 | C23 | C24 | C25 | 4.5° | 1.3° |
| C23 | C27 | C28 | H271 | 125.2° | 120.9° |
| C23 | C27 | C28 | H272 | 125.3° | 120.3° |
| C23 | C27 | H271 | H272 | 117.1° | 118.0° |
| C23 | C27 | C28 | H281 | 179.9° | 179.6° |
| C23 | C27 | C28 | H282 | 54.7° | 59.4° |
| C23 | C27 | C28 | H283 | 54.8° | 60.1° |
| C24 | C25 | C31 | H25 | 179.9° | 180.0° |
| C24 | C25 | C31 | N3 | 12.8° | 0.3° |
| C24 | C25 | C31 | C32 | 168.7° | 180.0° |
| C25 | C31 | N3 | C32 | 178.8° | 179.7° |
| C25 | C31 | N3 | C34 | 178.1° | 179.7° |
| C25 | C31 | N3 | HN3 | 56.6° | 1.4° |
| C25 | C31 | C32 | C33 | 178.0° | 179.7° |
| C25 | C31 | C32 | C36 | 2.6° | 0.2° |
| H25 | C25 | C31 | N3 | 167.3° | 179.7° |
| H25 | C25 | C31 | C32 | 11.3° | 0.1° |
| H261 | C26 | H262 | H263 | 112.4° | 119.2° |
| C28 | C27 | H271 | H272 | 117.2° | 120.0° |
| C27 | C28 | H281 | H282 | 125.3° | 121.8° |
| C27 | C28 | H281 | H283 | 125.2° | 121.8° |
| C27 | C28 | H282 | H283 | 117.1° | 121.4° |
| H271 | C27 | C28 | H281 | 54.7° | 58.7° |
| H271 | C27 | C28 | H282 | 179.9° | 61.6° |
| H271 | C27 | C28 | H283 | 70.5° | 179.0° |
| H272 | C27 | C28 | H281 | 54.8° | 60.1° |
| H272 | C27 | C28 | H282 | 70.6° | 179.7° |
| H272 | C27 | C28 | H283 | 180.0° | 60.2° |
| H281 | C28 | H282 | H283 | 117.1° | 116.8° |
| C31 | N3 | C34 | HN3 | 125.2° | 178.9° |
| N3 | C31 | C32 | C33 | 0.7° | 0.0° |
| N3 | C31 | C32 | C36 | 178.7° | 180.0° |
| C31 | N3 | C34 | C33 | 0.3° | 0.0° |
| C31 | N3 | C34 | C35 | 179.9° | 179.8° |
| C34 | N3 | C31 | C32 | 0.6° | 0.0° |
| N3 | C34 | C33 | C32 | 0.2° | 0.0° |
| N3 | C34 | C33 | C35 | 179.8° | 179.8° |
| N3 | C34 | C33 | C37 | 178.9° | 179.9° |
| N3 | C34 | C35 | C41 | 5.3° | 0.3° |
| N3 | C34 | C35 | H35 | 174.7° | 179.6° |
| HN3 | N3 | C31 | C32 | 124.6° | 178.9° |
| HN3 | N3 | C34 | C33 | 124.9° | 178.9° |
| HN3 | N3 | C34 | C35 | 54.9° | 1.3° |
| C31 | C32 | C33 | C36 | 179.4° | 180.0° |
| C31 | C32 | C33 | C34 | 0.5° | 0.0° |
| C31 | C32 | C33 | C37 | 179.2° | 179.9° |
| C31 | C32 | C36 | H361 | 180.0° | 152.0° |
| C31 | C32 | C36 | H362 | 54.8° | 31.8° |
| C31 | C32 | C36 | H363 | 54.8° | 87.9° |
| C32 | C33 | C34 | C37 | 178.8° | 179.9° |
| C32 | C33 | C34 | C35 | 179.7° | 179.8° |
| C33 | C32 | C36 | H361 | 0.7° | 28.0° |
| C33 | C32 | C36 | H362 | 124.5° | 148.2° |
| C33 | C32 | C36 | H363 | 125.9° | 92.1° |
| C32 | C33 | C37 | C38 | 80.1° | 90.0° |
| C32 | C33 | C37 | H371 | 154.6° | 29.1° |
| C32 | C33 | C37 | H372 | 45.2° | 146.4° |
| C36 | C32 | C33 | C34 | 178.9° | 179.9° |
| C36 | C32 | C33 | C37 | 0.2° | 0.0° |
| C32 | C36 | H361 | H362 | 125.2° | 120.7° |
| C32 | C36 | H361 | H363 | 125.2° | 120.6° |
| C32 | C36 | H362 | H363 | 112.0° | 120.4° |
| C33 | C34 | C35 | C41 | 174.9° | 180.0° |
| C33 | C34 | C35 | H35 | 5.1° | 0.2° |
| C34 | C33 | C37 | C38 | 101.4° | 90.1° |
| C34 | C33 | C37 | H371 | 23.9° | 150.8° |
| C34 | C33 | C37 | H372 | 133.3° | 33.5° |
| C37 | C33 | C34 | C35 | 0.9° | 0.1° |
| C33 | C37 | C38 | H371 | 125.3° | 117.6° |
| C33 | C37 | C38 | H372 | 125.3° | 121.6° |
| C33 | C37 | H371 | H372 | 116.5° | 117.4° |
| C33 | C37 | C38 | C39 | 179.3° | 177.6° |
| C33 | C37 | C38 | H381 | 55.5° | 60.0° |
| C33 | C37 | C38 | H382 | 54.0° | 58.4° |
| C34 | C35 | C41 | H35 | 180.0° | 179.8° |
| C34 | C35 | C41 | N4 | 6.7° | 10.2° |
| C34 | C35 | C41 | C42 | 173.0° | 170.7° |
| C35 | C41 | N4 | C42 | 179.8° | 179.2° |
| C35 | C41 | N4 | C44 | 179.9° | 179.1° |
| C35 | C41 | C42 | C43 | 179.7° | 179.3° |
| C35 | C41 | C42 | C47 | 4.7° | 1.2° |
| H35 | C35 | C41 | N4 | 173.2° | 170.0° |
| H35 | C35 | C41 | C42 | 7.0° | 9.1° |
| H361 | C36 | H362 | H363 | 112.0° | 118.9° |
| C38 | C37 | H371 | H372 | 116.5° | 122.9° |
| C37 | C38 | C39 | H381 | 125.3° | 119.5° |
| C37 | C38 | C39 | H382 | 125.3° | 125.9° |
| C37 | C38 | H381 | H382 | 117.3° | 122.5° |
| C37 | C38 | C39 | O31 | 45.8° | 179.5° |
| C37 | C38 | C39 | O32 | 134.2° | 0.5° |
| H371 | C37 | C38 | C39 | 54.0° | 60.0° |
| H371 | C37 | C38 | H381 | 179.2° | 57.6° |
| H371 | C37 | C38 | H382 | 71.3° | 176.0° |
| H372 | C37 | C38 | C39 | 55.4° | 60.8° |
| H372 | C37 | C38 | H381 | 69.8° | 178.4° |
| H372 | C37 | C38 | H382 | 179.3° | 63.3° |
| C39 | C38 | H381 | H382 | 117.2° | 117.1° |
| C38 | C39 | O31 | O32 | 179.9° | 179.0° |
| C38 | C39 | O31 | HO31 | 180.0° | 179.0° |
| H381 | C38 | C39 | O31 | 79.4° | 61.0° |
| H381 | C38 | C39 | O32 | 100.5° | 120.0° |
| H382 | C38 | C39 | O31 | 171.1° | 53.6° |
| H382 | C38 | C39 | O32 | 8.9° | 125.4° |
| O32 | C39 | O31 | HO31 | 0.1° | 0.0° |
| N4 | C41 | C42 | C43 | 0.1° | 0.0° |
| N4 | C41 | C42 | C47 | 175.5° | 179.5° |
| C41 | N4 | C44 | C43 | 0.5° | 0.2° |
| C41 | N4 | C44 | C45 | 177.5° | 178.7° |
| C44 | N4 | C41 | C42 | 0.3° | 0.1° |
| N4 | C44 | C43 | C42 | 0.6° | 0.2° |
| N4 | C44 | C43 | C45 | 177.9° | 178.9° |
| N4 | C44 | C43 | C46 | 178.3° | 179.8° |
| N4 | C44 | C45 | H45 | 160.6° | 177.8° |
| C41 | C42 | C43 | C47 | 175.5° | 179.5° |
| C41 | C42 | C43 | C44 | 0.4° | 0.1° |
| C41 | C42 | C43 | C46 | 178.5° | 179.9° |
| C41 | C42 | C47 | C48 | 97.8° | 89.9° |
| C41 | C42 | C47 | H471 | 27.4° | 29.4° |
| C41 | C42 | C47 | H472 | 136.9° | 146.6° |
| C42 | C43 | C44 | C46 | 178.9° | 180.0° |
| C42 | C43 | C44 | C45 | 177.3° | 178.7° |
| C42 | C43 | C46 | H461 | 179.9° | 166.1° |
| C42 | C43 | C46 | H462 | 54.7° | 45.9° |
| C42 | C43 | C46 | H463 | 54.7° | 73.8° |
| C43 | C42 | C47 | C48 | 76.9° | 90.8° |
| C43 | C42 | C47 | H471 | 157.9° | 150.0° |
| C43 | C42 | C47 | H472 | 48.4° | 32.8° |
| C47 | C42 | C43 | C44 | 175.1° | 179.6° |
| C47 | C42 | C43 | C46 | 6.0° | 0.4° |
| C42 | C47 | C48 | H471 | 125.3° | 118.2° |
| C42 | C47 | C48 | H472 | 125.3° | 122.2° |
| C42 | C47 | H471 | H472 | 118.2° | 117.9° |
| C42 | C47 | C48 | C49 | 179.3° | 177.7° |
| C42 | C47 | C48 | H481 | 54.1° | 60.0° |
| C42 | C47 | C48 | H482 | 55.4° | 58.4° |
| C43 | C44 | C45 | H45 | 21.8° | 0.9° |
| C44 | C43 | C46 | H461 | 1.4° | 13.9° |
| C44 | C43 | C46 | H462 | 126.6° | 134.1° |
| C44 | C43 | C46 | H463 | 123.9° | 106.2° |
| C46 | C43 | C44 | C45 | 3.8° | 1.3° |
| C43 | C46 | H461 | H462 | 125.2° | 120.6° |
| C43 | C46 | H461 | H463 | 125.3° | 120.5° |
| C43 | C46 | H462 | H463 | 111.6° | 120.3° |
| H461 | C46 | H462 | H463 | 111.6° | 119.1° |
| C48 | C47 | H471 | H472 | 118.2° | 121.8° |
| C47 | C48 | C49 | H481 | 125.3° | 119.8° |
| C47 | C48 | C49 | H482 | 125.3° | 125.6° |
| C47 | C48 | H481 | H482 | 116.9° | 122.4° |
| C47 | C48 | C49 | O41 | 95.7° | 179.1° |
| C47 | C48 | C49 | O42 | 83.8° | 0.2° |
| H471 | C47 | C48 | C49 | 55.4° | 59.5° |
| H471 | C47 | C48 | H481 | 179.4° | 58.1° |
| H471 | C47 | C48 | H482 | 69.9° | 176.6° |
| H472 | C47 | C48 | C49 | 54.1° | 60.1° |
| H472 | C47 | C48 | H481 | 71.2° | 177.8° |
| H472 | C47 | C48 | H482 | 179.3° | 63.8° |
| C49 | C48 | H481 | H482 | 116.8° | 117.0° |
| C48 | C49 | O41 | O42 | 179.4° | 178.9° |
| C48 | C49 | O41 | HO41 | 180.0° | 178.9° |
| H481 | C48 | C49 | O41 | 139.0° | 61.1° |
| H481 | C48 | C49 | O42 | 41.5° | 120.0° |
| H482 | C48 | C49 | O41 | 29.6° | 53.5° |
| H482 | C48 | C49 | O42 | 150.9° | 125.4° |
| O42 | C49 | O41 | HO41 | 0.6° | 0.0° |
