T42
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O2 | sing | 1.43Å | 1.45Å | |
| C1 | H11A | sing | 1.09Å | 1.10Å | |
| C1 | H12A | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| O2 | C2 | sing | 1.43Å | 1.41Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22A | sing | 1.09Å | 1.10Å | |
| C3 | C4 | sing | 1.53Å | 1.55Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32A | sing | 1.09Å | 1.10Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C4 | H42 | sing | 1.09Å | 1.10Å | |
| C5 | B | sing | 1.57Å | 1.55Å | |
| C5 | N6 | sing | 1.47Å | 1.50Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| B | O1A | sing | 1.42Å | 1.34Å | |
| B | O1B | sing | 1.42Å | 1.42Å | |
| O1A | HOA | sing | 0.97Å | 0.95Å | |
| O1B | HOB | sing | 0.97Å | 0.95Å | |
| N6 | C7 | sing | 1.35Å | 1.32Å | |
| N6 | HN6 | sing | 0.97Å | 1.00Å | |
| C7 | O7 | doub | 1.22Å | 1.24Å | |
| C7 | C8 | sing | 1.47Å | 1.50Å | |
| C8 | C8A | doub | 1.37Å | 1.63Å | Aromatic |
| C8 | N9 | sing | 1.38Å | 1.59Å | Aromatic |
| C8A | C8B | sing | 1.40Å | 1.73Å | Aromatic |
| C8A | HA8 | sing | 1.08Å | 1.08Å | |
| C8B | C8C | doub | 1.35Å | 1.66Å | Aromatic |
| C8B | HB8 | sing | 1.08Å | 1.08Å | |
| C8C | N9 | sing | 1.36Å | 1.57Å | Aromatic |
| C8C | HC8 | sing | 1.08Å | 1.08Å | |
| N9 | C10 | sing | 1.35Å | 1.29Å | |
| C10 | O10 | doub | 1.21Å | 1.27Å | |
| C10 | C11 | sing | 1.51Å | 1.53Å | |
| C11 | C12 | sing | 1.53Å | 1.55Å | |
| C11 | N13 | sing | 1.47Å | 1.46Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | C21 | sing | 1.51Å | 1.56Å | |
| C12 | C31 | sing | 1.51Å | 1.55Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| N13 | C14 | sing | 1.47Å | 1.38Å | |
| N13 | HN3 | sing | 1.01Å | 1.00Å | |
| C14 | O14 | sing | 1.43Å | 1.45Å | |
| C14 | N41 | sing | 1.47Å | 1.46Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| O14 | HO4 | sing | 0.97Å | 0.95Å | |
| C21 | C22 | doub | 1.38Å | 1.44Å | Aromatic |
| C21 | C26 | sing | 1.38Å | 1.48Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.42Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C23 | C24 | doub | 1.38Å | 1.45Å | Aromatic |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C24 | C25 | sing | 1.38Å | 1.41Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C25 | C26 | doub | 1.38Å | 1.45Å | Aromatic |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C31 | C32 | doub | 1.38Å | 1.44Å | Aromatic |
| C31 | C36 | sing | 1.38Å | 1.42Å | Aromatic |
| C32 | C33 | sing | 1.38Å | 1.47Å | Aromatic |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| C33 | C34 | doub | 1.38Å | 1.43Å | Aromatic |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C34 | C35 | sing | 1.38Å | 1.43Å | Aromatic |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C35 | C36 | doub | 1.38Å | 1.48Å | Aromatic |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| N41 | C42 | sing | 1.47Å | 1.51Å | |
| N41 | C46 | sing | 1.47Å | 1.55Å | |
| C42 | C43 | sing | 1.53Å | 1.55Å | |
| C42 | H421 | sing | 1.09Å | 1.10Å | |
| C42 | H422 | sing | 1.09Å | 1.10Å | |
| C43 | O44 | sing | 1.43Å | 1.43Å | |
| C43 | H431 | sing | 1.09Å | 1.10Å | |
| C43 | H432 | sing | 1.09Å | 1.10Å | |
| O44 | C45 | sing | 1.43Å | 1.56Å | |
| C45 | C46 | sing | 1.53Å | 1.54Å | |
| C45 | H451 | sing | 1.09Å | 1.10Å | |
| C45 | H452 | sing | 1.09Å | 1.10Å | |
| C46 | H461 | sing | 1.09Å | 1.10Å | |
| C46 | H462 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C1 | H11A | 109.5° | 109.4° |
| O2 | C1 | H12A | 109.5° | 109.5° |
| O2 | C1 | H13 | 109.4° | 109.5° |
| C1 | O2 | C2 | 108.4° | 114.0° |
| H11A | C1 | H12A | 109.4° | 109.5° |
| H11A | C1 | H13 | 109.5° | 109.5° |
| H12A | C1 | H13 | 109.5° | 109.5° |
| O2 | C2 | C3 | 109.1° | 109.5° |
| O2 | C2 | H21 | 109.6° | 109.4° |
| O2 | C2 | H22A | 109.6° | 109.5° |
| C3 | C2 | H21 | 109.6° | 109.5° |
| C3 | C2 | H22A | 109.6° | 109.5° |
| C2 | C3 | C4 | 110.1° | 109.5° |
| C2 | C3 | H31 | 109.2° | 109.5° |
| C2 | C3 | H32A | 109.2° | 109.5° |
| H21 | C2 | H22A | 109.3° | 109.5° |
| C4 | C3 | H31 | 109.2° | 109.5° |
| C4 | C3 | H32A | 109.3° | 109.5° |
| C3 | C4 | C5 | 112.4° | 109.5° |
| C3 | C4 | H41 | 108.6° | 109.4° |
| C3 | C4 | H42 | 108.5° | 109.5° |
| H31 | C3 | H32A | 109.7° | 109.4° |
| C5 | C4 | H41 | 108.5° | 109.5° |
| C5 | C4 | H42 | 108.5° | 109.5° |
| C4 | C5 | B | 116.9° | 109.5° |
| C4 | C5 | N6 | 106.8° | 109.5° |
| C4 | C5 | H5 | 106.0° | 109.5° |
| H41 | C4 | H42 | 110.4° | 109.5° |
| B | C5 | N6 | 108.5° | 109.4° |
| B | C5 | H5 | 104.2° | 109.5° |
| C5 | B | O1A | 125.0° | 120.0° |
| C5 | B | O1B | 121.2° | 120.0° |
| N6 | C5 | H5 | 114.7° | 109.4° |
| C5 | N6 | C7 | 116.9° | 120.0° |
| C5 | N6 | HN6 | 121.5° | 120.0° |
| O1A | B | O1B | 110.0° | 120.0° |
| B | O1A | HOA | 109.5° | 114.0° |
| B | O1B | HOB | 109.5° | 114.0° |
| C7 | N6 | HN6 | 121.6° | 120.0° |
| N6 | C7 | O7 | 128.2° | 120.0° |
| N6 | C7 | C8 | 116.5° | 120.0° |
| O7 | C7 | C8 | 115.3° | 120.0° |
| C7 | C8 | C8A | 109.9° | 126.1° |
| C7 | C8 | N9 | 116.1° | 126.2° |
| C8A | C8 | N9 | 100.3° | 107.7° |
| C8 | C8A | C8B | 105.9° | 107.3° |
| C8 | C8A | HA8 | 127.0° | 126.3° |
| C8 | N9 | C8C | 123.0° | 108.4° |
| C8 | N9 | C10 | 109.8° | 125.9° |
| C8B | C8A | HA8 | 127.1° | 126.3° |
| C8A | C8B | C8C | 109.8° | 108.0° |
| C8A | C8B | HB8 | 125.1° | 126.0° |
| C8C | C8B | HB8 | 125.1° | 126.0° |
| C8B | C8C | N9 | 95.6° | 108.6° |
| C8B | C8C | HC8 | 132.2° | 125.7° |
| N9 | C8C | HC8 | 132.2° | 125.7° |
| C8C | N9 | C10 | 126.9° | 125.8° |
| N9 | C10 | O10 | 125.1° | 120.0° |
| N9 | C10 | C11 | 120.4° | 120.0° |
| O10 | C10 | C11 | 114.2° | 120.0° |
| C10 | C11 | C12 | 108.5° | 109.4° |
| C10 | C11 | N13 | 112.0° | 109.5° |
| C10 | C11 | H11 | 106.8° | 109.5° |
| C12 | C11 | N13 | 104.0° | 109.5° |
| C12 | C11 | H11 | 114.5° | 109.5° |
| C11 | C12 | C21 | 115.8° | 109.4° |
| C11 | C12 | C31 | 109.1° | 109.5° |
| C11 | C12 | H12 | 103.7° | 109.5° |
| N13 | C11 | H11 | 111.1° | 109.5° |
| C11 | N13 | C14 | 115.0° | 111.0° |
| C11 | N13 | HN3 | 107.7° | 111.0° |
| C21 | C12 | C31 | 103.5° | 109.5° |
| C21 | C12 | H12 | 109.3° | 109.5° |
| C12 | C21 | C22 | 119.2° | 120.0° |
| C12 | C21 | C26 | 118.0° | 120.0° |
| C31 | C12 | H12 | 115.9° | 109.5° |
| C12 | C31 | C32 | 119.7° | 120.0° |
| C12 | C31 | C36 | 115.4° | 120.0° |
| C14 | N13 | HN3 | 107.7° | 111.0° |
| N13 | C14 | O14 | 106.1° | 109.5° |
| N13 | C14 | N41 | 114.1° | 109.5° |
| N13 | C14 | H14 | 112.5° | 109.5° |
| O14 | C14 | N41 | 118.5° | 109.5° |
| O14 | C14 | H14 | 107.4° | 109.5° |
| C14 | O14 | HO4 | 109.5° | 114.0° |
| N41 | C14 | H14 | 98.0° | 109.4° |
| C14 | N41 | C42 | 114.0° | 111.0° |
| C14 | N41 | C46 | 109.9° | 111.0° |
| C22 | C21 | C26 | 122.4° | 120.0° |
| C21 | C22 | C23 | 121.0° | 120.0° |
| C21 | C22 | H22 | 119.5° | 120.0° |
| C21 | C26 | C25 | 115.0° | 120.0° |
| C21 | C26 | H26 | 122.5° | 120.0° |
| C23 | C22 | H22 | 119.5° | 120.0° |
| C22 | C23 | C24 | 116.9° | 120.0° |
| C22 | C23 | H23 | 121.5° | 119.9° |
| C24 | C23 | H23 | 121.5° | 120.0° |
| C23 | C24 | C25 | 122.8° | 120.0° |
| C23 | C24 | H24 | 118.6° | 120.0° |
| C25 | C24 | H24 | 118.6° | 120.0° |
| C24 | C25 | C26 | 121.8° | 120.0° |
| C24 | C25 | H25 | 119.1° | 120.0° |
| C26 | C25 | H25 | 119.1° | 119.9° |
| C25 | C26 | H26 | 122.5° | 120.0° |
| C32 | C31 | C36 | 124.6° | 120.0° |
| C31 | C32 | C33 | 116.3° | 120.0° |
| C31 | C32 | H32 | 121.9° | 120.0° |
| C31 | C36 | C35 | 118.4° | 120.0° |
| C31 | C36 | H36 | 120.8° | 120.0° |
| C33 | C32 | H32 | 121.8° | 120.0° |
| C32 | C33 | C34 | 119.6° | 120.0° |
| C32 | C33 | H33 | 120.2° | 120.0° |
| C34 | C33 | H33 | 120.2° | 120.0° |
| C33 | C34 | C35 | 123.5° | 120.1° |
| C33 | C34 | H34 | 118.3° | 120.0° |
| C35 | C34 | H34 | 118.3° | 120.0° |
| C34 | C35 | C36 | 117.5° | 120.0° |
| C34 | C35 | H35 | 121.3° | 120.0° |
| C36 | C35 | H35 | 121.3° | 120.0° |
| C35 | C36 | H36 | 120.8° | 120.0° |
| C42 | N41 | C46 | 118.2° | 110.7° |
| N41 | C42 | C43 | 113.7° | 109.2° |
| N41 | C42 | H421 | 108.1° | 109.6° |
| N41 | C42 | H422 | 108.1° | 109.5° |
| N41 | C46 | C45 | 113.0° | 109.2° |
| N41 | C46 | H461 | 108.3° | 109.5° |
| N41 | C46 | H462 | 108.3° | 109.6° |
| C43 | C42 | H421 | 108.1° | 109.5° |
| C43 | C42 | H422 | 108.1° | 109.5° |
| C42 | C43 | O44 | 103.9° | 109.3° |
| C42 | C43 | H431 | 111.4° | 109.5° |
| C42 | C43 | H432 | 111.4° | 109.5° |
| H421 | C42 | H422 | 110.8° | 109.6° |
| O44 | C43 | H431 | 111.3° | 109.6° |
| O44 | C43 | H432 | 111.4° | 109.5° |
| C43 | O44 | C45 | 119.2° | 113.8° |
| H431 | C43 | H432 | 107.5° | 109.5° |
| O44 | C45 | C46 | 109.2° | 109.3° |
| O44 | C45 | H451 | 109.6° | 109.5° |
| O44 | C45 | H452 | 109.6° | 109.5° |
| C46 | C45 | H451 | 109.6° | 109.5° |
| C46 | C45 | H452 | 109.6° | 109.6° |
| C45 | C46 | H461 | 108.3° | 109.5° |
| C45 | C46 | H462 | 108.3° | 109.6° |
| H451 | C45 | H452 | 109.4° | 109.5° |
| H461 | C46 | H462 | 110.7° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C1 | H11A | H12A | 120.0° | 120.0° |
| O2 | C1 | H11A | H13 | 120.0° | 120.0° |
| O2 | C1 | H12A | H13 | 120.0° | 120.0° |
| C1 | O2 | C2 | C3 | 174.8° | 180.0° |
| C1 | O2 | C2 | H21 | 65.2° | 60.0° |
| C1 | O2 | C2 | H22A | 54.8° | 59.9° |
| H11A | C1 | H12A | H13 | 120.0° | 120.0° |
| H11A | C1 | O2 | C2 | 180.0° | 59.9° |
| H12A | C1 | O2 | C2 | 60.0° | 60.0° |
| H13 | C1 | O2 | C2 | 60.0° | 179.9° |
| O2 | C2 | C3 | H21 | 120.0° | 120.0° |
| O2 | C2 | C3 | H22A | 120.0° | 120.0° |
| O2 | C2 | H21 | H22A | 120.2° | 120.0° |
| O2 | C2 | C3 | C4 | 179.2° | 180.0° |
| O2 | C2 | C3 | H31 | 59.2° | 60.0° |
| O2 | C2 | C3 | H32A | 60.8° | 59.9° |
| C3 | C2 | H21 | H22A | 120.1° | 120.1° |
| C2 | C3 | C4 | H31 | 120.0° | 120.0° |
| C2 | C3 | C4 | H32A | 120.0° | 120.0° |
| C2 | C3 | H31 | H32A | 119.7° | 120.0° |
| C2 | C3 | C4 | C5 | 168.5° | 174.9° |
| C2 | C3 | C4 | H41 | 71.5° | 65.1° |
| C2 | C3 | C4 | H42 | 48.5° | 54.9° |
| H21 | C2 | C3 | C4 | 60.8° | 60.0° |
| H21 | C2 | C3 | H31 | 179.2° | 180.0° |
| H21 | C2 | C3 | H32A | 59.2° | 60.0° |
| H22A | C2 | C3 | C4 | 59.2° | 60.0° |
| H22A | C2 | C3 | H31 | 60.8° | 60.0° |
| H22A | C2 | C3 | H32A | 179.2° | 180.0° |
| C4 | C3 | H31 | H32A | 119.7° | 120.0° |
| C3 | C4 | C5 | H41 | 120.0° | 120.0° |
| C3 | C4 | C5 | H42 | 120.0° | 120.0° |
| C3 | C4 | H41 | H42 | 118.8° | 120.0° |
| C3 | C4 | C5 | B | 156.3° | 65.5° |
| C3 | C4 | C5 | N6 | 82.0° | 174.5° |
| C3 | C4 | C5 | H5 | 40.8° | 54.6° |
| H31 | C3 | C4 | C5 | 48.5° | 54.9° |
| H31 | C3 | C4 | H41 | 168.5° | 174.9° |
| H31 | C3 | C4 | H42 | 71.5° | 65.1° |
| H32A | C3 | C4 | C5 | 71.5° | 65.0° |
| H32A | C3 | C4 | H41 | 48.5° | 54.9° |
| H32A | C3 | C4 | H42 | 168.5° | 174.9° |
| C5 | C4 | H41 | H42 | 118.8° | 120.0° |
| C4 | C5 | B | N6 | 120.8° | 120.0° |
| C4 | C5 | B | H5 | 116.5° | 120.1° |
| C4 | C5 | N6 | H5 | 117.1° | 120.0° |
| C4 | C5 | B | O1A | 155.0° | 65.1° |
| C4 | C5 | B | O1B | 49.4° | 114.9° |
| C4 | C5 | N6 | C7 | 130.2° | 140.5° |
| C4 | C5 | N6 | HN6 | 49.8° | 39.5° |
| H41 | C4 | C5 | B | 36.2° | 54.5° |
| H41 | C4 | C5 | N6 | 157.9° | 65.5° |
| H41 | C4 | C5 | H5 | 79.3° | 174.5° |
| H42 | C4 | C5 | B | 83.7° | 174.5° |
| H42 | C4 | C5 | N6 | 38.0° | 54.5° |
| H42 | C4 | C5 | H5 | 160.8° | 65.5° |
| B | C5 | N6 | H5 | 116.0° | 120.0° |
| C5 | B | O1A | O1B | 157.9° | 180.0° |
| C5 | B | O1A | HOA | 180.0° | 0.0° |
| C5 | B | O1B | HOB | 180.0° | 5.0° |
| B | C5 | N6 | C7 | 103.0° | 99.5° |
| B | C5 | N6 | HN6 | 77.0° | 80.5° |
| N6 | C5 | B | O1A | 34.1° | 54.9° |
| N6 | C5 | B | O1B | 170.2° | 125.1° |
| C5 | N6 | C7 | HN6 | 180.0° | 180.0° |
| C5 | N6 | C7 | O7 | 3.4° | 4.5° |
| C5 | N6 | C7 | C8 | 176.6° | 175.5° |
| H5 | C5 | B | O1A | 88.5° | 174.8° |
| H5 | C5 | B | O1B | 67.1° | 5.2° |
| H5 | C5 | N6 | C7 | 13.0° | 20.5° |
| H5 | C5 | N6 | HN6 | 166.9° | 159.5° |
| O1A | B | O1B | HOB | 21.1° | 175.0° |
| O1B | B | O1A | HOA | 22.1° | 180.0° |
| N6 | C7 | O7 | C8 | 180.0° | 180.0° |
| N6 | C7 | C8 | C8A | 92.5° | 176.9° |
| N6 | C7 | C8 | N9 | 154.7° | 2.8° |
| HN6 | N6 | C7 | O7 | 176.6° | 175.5° |
| HN6 | N6 | C7 | C8 | 3.4° | 4.5° |
| O7 | C7 | C8 | C8A | 87.5° | 3.1° |
| O7 | C7 | C8 | N9 | 25.3° | 177.2° |
| C7 | C8 | C8A | N9 | 122.7° | 179.7° |
| C7 | C8 | C8A | C8B | 126.8° | 180.0° |
| C7 | C8 | C8A | HA8 | 53.2° | 0.0° |
| C7 | C8 | N9 | C8C | 105.7° | 179.9° |
| C7 | C8 | N9 | C10 | 68.4° | 0.0° |
| C8 | C8A | C8B | HA8 | 180.0° | 180.0° |
| C8 | C8A | C8B | C8C | 17.7° | 0.0° |
| C8 | C8A | C8B | HB8 | 162.3° | 180.0° |
| C8A | C8 | N9 | C8C | 12.5° | 0.4° |
| C8A | C8 | N9 | C10 | 173.3° | 179.7° |
| N9 | C8 | C8A | C8B | 4.1° | 0.3° |
| N9 | C8 | C8A | HA8 | 175.9° | 179.7° |
| C8 | N9 | C8C | C8B | 22.5° | 0.4° |
| C8 | N9 | C8C | C10 | 173.1° | 179.9° |
| C8 | N9 | C8C | HC8 | 157.5° | 179.8° |
| C8 | N9 | C10 | O10 | 1.5° | 98.8° |
| C8 | N9 | C10 | C11 | 176.4° | 81.1° |
| C8A | C8B | C8C | HB8 | 180.0° | 180.0° |
| C8A | C8B | C8C | N9 | 21.9° | 0.2° |
| C8A | C8B | C8C | HC8 | 158.0° | 180.0° |
| HA8 | C8A | C8B | C8C | 162.3° | 179.9° |
| HA8 | C8A | C8B | HB8 | 17.7° | 0.0° |
| C8B | C8C | N9 | HC8 | 180.0° | 179.8° |
| C8B | C8C | N9 | C10 | 164.5° | 179.8° |
| HB8 | C8B | C8C | N9 | 158.1° | 179.8° |
| HB8 | C8B | C8C | HC8 | 21.9° | 0.1° |
| C8C | N9 | C10 | O10 | 175.3° | 81.4° |
| C8C | N9 | C10 | C11 | 9.8° | 98.7° |
| HC8 | C8C | N9 | C10 | 15.6° | 0.1° |
| N9 | C10 | O10 | C11 | 175.2° | 179.9° |
| N9 | C10 | C11 | C12 | 111.1° | 57.8° |
| N9 | C10 | C11 | N13 | 134.6° | 177.8° |
| N9 | C10 | C11 | H11 | 12.8° | 62.2° |
| O10 | C10 | C11 | C12 | 64.4° | 122.3° |
| O10 | C10 | C11 | N13 | 49.9° | 2.3° |
| O10 | C10 | C11 | H11 | 171.8° | 117.7° |
| C10 | C11 | C12 | N13 | 119.4° | 120.0° |
| C10 | C11 | C12 | H11 | 119.2° | 120.0° |
| C10 | C11 | N13 | H11 | 119.4° | 120.1° |
| C10 | C11 | C12 | C21 | 75.7° | 172.7° |
| C10 | C11 | C12 | C31 | 168.0° | 67.3° |
| C10 | C11 | C12 | H12 | 43.9° | 52.8° |
| C10 | C11 | N13 | C14 | 129.5° | 152.2° |
| C10 | C11 | N13 | HN3 | 110.5° | 83.9° |
| C12 | C11 | N13 | H11 | 123.6° | 120.0° |
| C11 | C12 | C21 | C31 | 119.4° | 120.0° |
| C11 | C12 | C21 | H12 | 116.5° | 120.0° |
| C11 | C12 | C31 | H12 | 116.5° | 120.0° |
| C12 | C11 | N13 | C14 | 113.5° | 87.9° |
| C12 | C11 | N13 | HN3 | 6.5° | 36.1° |
| C11 | C12 | C21 | C22 | 133.0° | 109.1° |
| C11 | C12 | C21 | C26 | 40.0° | 70.7° |
| C11 | C12 | C31 | C32 | 41.3° | 137.3° |
| C11 | C12 | C31 | C36 | 143.8° | 42.9° |
| N13 | C11 | C12 | C21 | 164.9° | 52.7° |
| N13 | C11 | C12 | C31 | 48.6° | 172.7° |
| N13 | C11 | C12 | H12 | 75.5° | 67.2° |
| C11 | N13 | C14 | HN3 | 120.0° | 124.0° |
| C11 | N13 | C14 | O14 | 48.7° | 76.4° |
| C11 | N13 | C14 | N41 | 179.0° | 163.6° |
| C11 | N13 | C14 | H14 | 68.5° | 43.6° |
| H11 | C11 | C12 | C21 | 43.5° | 67.2° |
| H11 | C11 | C12 | C31 | 72.8° | 52.7° |
| H11 | C11 | C12 | H12 | 163.1° | 172.8° |
| H11 | C11 | N13 | C14 | 10.1° | 32.1° |
| H11 | C11 | N13 | HN3 | 130.2° | 156.0° |
| C21 | C12 | C31 | H12 | 119.6° | 120.0° |
| C12 | C21 | C22 | C26 | 172.8° | 179.8° |
| C12 | C21 | C22 | C23 | 170.4° | 180.0° |
| C12 | C21 | C22 | H22 | 9.6° | 0.1° |
| C12 | C21 | C26 | C25 | 170.6° | 179.8° |
| C12 | C21 | C26 | H26 | 9.4° | 0.1° |
| C21 | C12 | C31 | C32 | 82.6° | 102.8° |
| C21 | C12 | C31 | C36 | 92.3° | 77.0° |
| C31 | C12 | C21 | C22 | 107.6° | 130.9° |
| C31 | C12 | C21 | C26 | 79.3° | 49.3° |
| C12 | C31 | C32 | C36 | 174.4° | 179.8° |
| C12 | C31 | C32 | C33 | 176.5° | 180.0° |
| C12 | C31 | C32 | H32 | 3.5° | 0.0° |
| C12 | C31 | C36 | C35 | 177.0° | 179.7° |
| C12 | C31 | C36 | H36 | 2.9° | 0.0° |
| H12 | C12 | C21 | C22 | 16.5° | 10.8° |
| H12 | C12 | C21 | C26 | 156.6° | 169.4° |
| H12 | C12 | C31 | C32 | 157.8° | 17.3° |
| H12 | C12 | C31 | C36 | 27.3° | 163.0° |
| N13 | C14 | O14 | N41 | 129.8° | 120.0° |
| N13 | C14 | O14 | H14 | 120.5° | 120.1° |
| N13 | C14 | N41 | H14 | 119.1° | 120.0° |
| N13 | C14 | O14 | HO4 | 180.0° | 69.1° |
| N13 | C14 | N41 | C42 | 74.5° | 175.0° |
| N13 | C14 | N41 | C46 | 150.2° | 61.4° |
| HN3 | N13 | C14 | O14 | 168.7° | 159.6° |
| HN3 | N13 | C14 | N41 | 59.0° | 39.6° |
| HN3 | N13 | C14 | H14 | 51.5° | 80.4° |
| O14 | C14 | N41 | H14 | 114.8° | 120.0° |
| O14 | C14 | N41 | C42 | 159.4° | 64.9° |
| O14 | C14 | N41 | C46 | 24.1° | 58.6° |
| N41 | C14 | O14 | HO4 | 50.1° | 50.9° |
| C14 | N41 | C42 | C46 | 131.3° | 123.7° |
| C14 | N41 | C42 | C43 | 86.5° | 177.6° |
| C14 | N41 | C42 | H421 | 33.5° | 62.5° |
| C14 | N41 | C42 | H422 | 153.5° | 57.7° |
| C14 | N41 | C46 | C45 | 97.6° | 177.6° |
| C14 | N41 | C46 | H461 | 142.4° | 57.7° |
| C14 | N41 | C46 | H462 | 22.4° | 62.4° |
| H14 | C14 | O14 | HO4 | 59.5° | 170.9° |
| H14 | C14 | N41 | C42 | 44.5° | 55.0° |
| H14 | C14 | N41 | C46 | 90.7° | 178.6° |
| C21 | C22 | C23 | H22 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 0.1° | 0.0° |
| C21 | C22 | C23 | H23 | 179.9° | 180.0° |
| C22 | C21 | C26 | C25 | 2.3° | 0.4° |
| C22 | C21 | C26 | H26 | 177.7° | 179.7° |
| C26 | C21 | C22 | C23 | 2.4° | 0.2° |
| C26 | C21 | C22 | H22 | 177.6° | 179.7° |
| C21 | C26 | C25 | C24 | 0.2° | 0.4° |
| C21 | C26 | C25 | H26 | 180.0° | 179.8° |
| C21 | C26 | C25 | H25 | 179.8° | 179.8° |
| C22 | C23 | C24 | H23 | 180.0° | 180.0° |
| C22 | C23 | C24 | C25 | 2.7° | 0.0° |
| C22 | C23 | C24 | H24 | 177.4° | 179.9° |
| H22 | C22 | C23 | C24 | 179.9° | 179.9° |
| H22 | C22 | C23 | H23 | 0.1° | 0.0° |
| C23 | C24 | C25 | H24 | 180.0° | 179.9° |
| C23 | C24 | C25 | C26 | 2.8° | 0.2° |
| C23 | C24 | C25 | H25 | 177.2° | 180.0° |
| H23 | C23 | C24 | C25 | 177.4° | 180.0° |
| H23 | C23 | C24 | H24 | 2.6° | 0.1° |
| C24 | C25 | C26 | H25 | 180.0° | 179.8° |
| C24 | C25 | C26 | H26 | 179.8° | 179.7° |
| H24 | C24 | C25 | C26 | 177.3° | 179.9° |
| H24 | C24 | C25 | H25 | 2.7° | 0.0° |
| H25 | C25 | C26 | H26 | 0.2° | 0.1° |
| C31 | C32 | C33 | H32 | 180.0° | 180.0° |
| C31 | C32 | C33 | C34 | 0.4° | 0.1° |
| C31 | C32 | C33 | H33 | 179.7° | 179.9° |
| C32 | C31 | C36 | C35 | 2.4° | 0.5° |
| C32 | C31 | C36 | H36 | 177.6° | 179.8° |
| C36 | C31 | C32 | C33 | 2.1° | 0.2° |
| C36 | C31 | C32 | H32 | 177.9° | 179.8° |
| C31 | C36 | C35 | C34 | 1.0° | 0.4° |
| C31 | C36 | C35 | H36 | 180.0° | 179.7° |
| C31 | C36 | C35 | H35 | 179.0° | 179.7° |
| C32 | C33 | C34 | H33 | 180.0° | 179.9° |
| C32 | C33 | C34 | C35 | 0.9° | 0.1° |
| C32 | C33 | C34 | H34 | 179.0° | 179.9° |
| H32 | C32 | C33 | C34 | 179.6° | 180.0° |
| H32 | C32 | C33 | H33 | 0.3° | 0.1° |
| C33 | C34 | C35 | H34 | 180.0° | 180.0° |
| C33 | C34 | C35 | C36 | 0.6° | 0.2° |
| C33 | C34 | C35 | H35 | 179.4° | 180.0° |
| H33 | C33 | C34 | C35 | 179.0° | 180.0° |
| H33 | C33 | C34 | H34 | 1.0° | 0.1° |
| C34 | C35 | C36 | H35 | 180.0° | 179.9° |
| C34 | C35 | C36 | H36 | 179.0° | 179.8° |
| H34 | C34 | C35 | C36 | 179.3° | 179.8° |
| H34 | C34 | C35 | H35 | 0.7° | 0.0° |
| H35 | C35 | C36 | H36 | 1.0° | 0.0° |
| N41 | C42 | C43 | H421 | 120.0° | 120.0° |
| N41 | C42 | C43 | H422 | 120.0° | 119.9° |
| N41 | C42 | H421 | H422 | 118.2° | 120.1° |
| N41 | C42 | C43 | O44 | 54.6° | 56.9° |
| N41 | C42 | C43 | H431 | 65.4° | 176.9° |
| N41 | C42 | C43 | H432 | 174.6° | 63.1° |
| C42 | N41 | C46 | C45 | 35.5° | 58.7° |
| C42 | N41 | C46 | H461 | 84.4° | 178.6° |
| C42 | N41 | C46 | H462 | 155.5° | 61.3° |
| C46 | N41 | C42 | C43 | 44.8° | 58.7° |
| C46 | N41 | C42 | H421 | 164.8° | 61.3° |
| C46 | N41 | C42 | H422 | 75.2° | 178.6° |
| N41 | C46 | C45 | O44 | 36.6° | 56.9° |
| N41 | C46 | C45 | H461 | 120.0° | 119.8° |
| N41 | C46 | C45 | H462 | 120.0° | 120.0° |
| N41 | C46 | C45 | H451 | 83.4° | 176.8° |
| N41 | C46 | C45 | H452 | 156.6° | 63.1° |
| N41 | C46 | H461 | H462 | 118.6° | 120.1° |
| C43 | C42 | H421 | H422 | 118.3° | 120.1° |
| C42 | C43 | O44 | H431 | 120.0° | 120.0° |
| C42 | C43 | O44 | H432 | 120.0° | 119.9° |
| C42 | C43 | H431 | H432 | 122.3° | 120.0° |
| C42 | C43 | O44 | C45 | 64.4° | 58.6° |
| H421 | C42 | C43 | O44 | 174.6° | 63.1° |
| H421 | C42 | C43 | H431 | 54.6° | 56.9° |
| H421 | C42 | C43 | H432 | 65.5° | 176.9° |
| H422 | C42 | C43 | O44 | 65.4° | 176.7° |
| H422 | C42 | C43 | H431 | 174.6° | 63.3° |
| H422 | C42 | C43 | H432 | 54.6° | 56.8° |
| O44 | C43 | H431 | H432 | 122.2° | 120.1° |
| C43 | O44 | C45 | C46 | 57.7° | 58.7° |
| C43 | O44 | C45 | H451 | 62.3° | 178.6° |
| C43 | O44 | C45 | H452 | 177.7° | 61.4° |
| H431 | C43 | O44 | C45 | 55.6° | 178.6° |
| H432 | C43 | O44 | C45 | 175.6° | 61.3° |
| O44 | C45 | C46 | H451 | 120.0° | 119.9° |
| O44 | C45 | C46 | H452 | 120.0° | 120.0° |
| O44 | C45 | H451 | H452 | 120.1° | 120.0° |
| O44 | C45 | C46 | H461 | 83.4° | 176.8° |
| O44 | C45 | C46 | H462 | 156.6° | 63.1° |
| C46 | C45 | H451 | H452 | 120.2° | 120.2° |
| C45 | C46 | H461 | H462 | 118.5° | 120.2° |
| H451 | C45 | C46 | H461 | 156.6° | 63.3° |
| H451 | C45 | C46 | H462 | 36.6° | 56.8° |
| H452 | C45 | C46 | H461 | 36.6° | 56.8° |
| H452 | C45 | C46 | H462 | 83.4° | 176.9° |
