N1D
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | O05 | sing | 1.43Å | 1.43Å | |
| O05 | C06 | sing | 1.36Å | 1.37Å | |
| C06 | C07 | sing | 1.39Å | 1.38Å | Aromatic |
| C06 | C14 | doub | 1.39Å | 1.41Å | Aromatic |
| C07 | C09 | doub | 1.38Å | 1.38Å | Aromatic |
| C09 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C11 | C20 | sing | 1.48Å | 1.49Å | |
| C12 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | O15 | sing | 1.36Å | 1.36Å | |
| O15 | C16 | sing | 1.43Å | 1.42Å | |
| C20 | C21 | doub | 1.36Å | 1.35Å | |
| C20 | C35 | sing | 1.47Å | 1.44Å | |
| C21 | N23 | sing | 1.36Å | 1.35Å | |
| N23 | C24 | sing | 1.47Å | 1.46Å | |
| N23 | C28 | sing | 1.34Å | 1.39Å | |
| C28 | O29 | doub | 1.22Å | 1.25Å | |
| C28 | C30 | sing | 1.47Å | 1.47Å | |
| C30 | C31 | sing | 1.40Å | 1.43Å | Aromatic |
| C30 | C35 | doub | 1.40Å | 1.41Å | Aromatic |
| C31 | C33 | doub | 1.34Å | 1.37Å | Aromatic |
| C33 | S34 | sing | 1.76Å | 1.73Å | Aromatic |
| C33 | C36 | sing | 1.47Å | 1.51Å | |
| S34 | C35 | sing | 1.76Å | 1.74Å | Aromatic |
| C36 | O37 | doub | 1.22Å | 1.22Å | |
| C36 | N38 | sing | 1.35Å | 1.35Å | |
| N38 | C39 | sing | 1.47Å | 1.47Å | |
| N38 | C49 | sing | 1.47Å | 1.46Å | |
| C39 | C42 | sing | 1.53Å | 1.51Å | |
| C42 | N45 | sing | 1.47Å | 1.48Å | |
| N45 | C46 | sing | 1.47Å | 1.47Å | |
| N45 | S52 | sing | 1.66Å | 1.63Å | |
| C46 | C49 | sing | 1.53Å | 1.51Å | |
| S52 | C53 | sing | 1.81Å | 1.75Å | |
| S52 | O57 | doub | 1.42Å | 1.43Å | |
| S52 | O58 | doub | 1.42Å | 1.43Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C07 | H07 | sing | 1.08Å | 1.08Å | |
| C09 | H09 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C16 | H163 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C24 | H243 | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C39 | H391 | sing | 1.09Å | 1.10Å | |
| C39 | H392 | sing | 1.09Å | 1.10Å | |
| C49 | H491 | sing | 1.09Å | 1.10Å | |
| C49 | H492 | sing | 1.09Å | 1.10Å | |
| C42 | H421 | sing | 1.09Å | 1.10Å | |
| C42 | H422 | sing | 1.09Å | 1.10Å | |
| C46 | H461 | sing | 1.09Å | 1.10Å | |
| C46 | H462 | sing | 1.09Å | 1.10Å | |
| C53 | H531 | sing | 1.09Å | 1.10Å | |
| C53 | H532 | sing | 1.09Å | 1.10Å | |
| C53 | H533 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | O05 | C06 | 117.6° | 117.1° |
| O05 | C01 | H011 | 109.5° | 109.5° |
| O05 | C01 | H012 | 109.5° | 109.4° |
| O05 | C01 | H013 | 109.4° | 109.4° |
| O05 | C06 | C07 | 124.3° | 120.0° |
| O05 | C06 | C14 | 116.0° | 120.0° |
| C07 | C06 | C14 | 119.7° | 120.1° |
| C06 | C07 | C09 | 119.6° | 120.1° |
| C06 | C07 | H07 | 120.2° | 119.9° |
| C06 | C14 | C12 | 120.1° | 120.0° |
| C06 | C14 | O15 | 116.3° | 120.0° |
| C07 | C09 | C11 | 121.1° | 120.1° |
| C09 | C07 | H07 | 120.2° | 120.0° |
| C07 | C09 | H09 | 119.4° | 120.0° |
| C09 | C11 | C12 | 119.3° | 119.9° |
| C09 | C11 | C20 | 120.0° | 120.1° |
| C11 | C09 | H09 | 119.4° | 120.0° |
| C12 | C11 | C20 | 120.7° | 120.0° |
| C11 | C12 | C14 | 120.1° | 119.9° |
| C11 | C12 | H12 | 120.0° | 120.1° |
| C11 | C20 | C21 | 119.3° | 120.2° |
| C11 | C20 | C35 | 123.7° | 120.1° |
| C12 | C14 | O15 | 123.6° | 120.0° |
| C14 | C12 | H12 | 120.0° | 120.1° |
| C14 | O15 | C16 | 116.8° | 117.0° |
| O15 | C16 | H161 | 109.5° | 109.5° |
| O15 | C16 | H162 | 109.5° | 109.5° |
| O15 | C16 | H163 | 109.5° | 109.4° |
| C21 | C20 | C35 | 117.0° | 119.7° |
| C20 | C21 | N23 | 123.5° | 121.5° |
| C20 | C21 | H21 | 118.2° | 119.2° |
| C20 | C35 | C30 | 122.0° | 118.8° |
| C20 | C35 | S34 | 126.7° | 131.5° |
| C21 | N23 | C24 | 120.0° | 118.9° |
| C21 | N23 | C28 | 122.7° | 122.3° |
| N23 | C21 | H21 | 118.2° | 119.3° |
| C24 | N23 | C28 | 117.4° | 118.9° |
| N23 | C24 | H241 | 109.5° | 109.4° |
| N23 | C24 | H242 | 109.4° | 109.4° |
| N23 | C24 | H243 | 109.5° | 109.4° |
| N23 | C28 | O29 | 119.6° | 119.9° |
| N23 | C28 | C30 | 117.3° | 120.2° |
| O29 | C28 | C30 | 123.1° | 119.9° |
| C28 | C30 | C31 | 131.3° | 129.8° |
| C28 | C30 | C35 | 117.4° | 117.5° |
| C31 | C30 | C35 | 111.3° | 112.7° |
| C30 | C31 | C33 | 113.7° | 115.6° |
| C30 | C31 | H31 | 123.2° | 122.2° |
| C30 | C35 | S34 | 111.3° | 109.7° |
| C31 | C33 | S34 | 111.5° | 110.5° |
| C31 | C33 | C36 | 141.0° | 124.8° |
| C33 | C31 | H31 | 123.2° | 122.2° |
| S34 | C33 | C36 | 107.5° | 124.8° |
| C33 | S34 | C35 | 92.2° | 91.5° |
| C33 | C36 | O37 | 117.9° | 120.0° |
| C33 | C36 | N38 | 120.9° | 120.0° |
| O37 | C36 | N38 | 121.2° | 120.0° |
| C36 | N38 | C39 | 118.0° | 120.5° |
| C36 | N38 | C49 | 132.9° | 120.6° |
| C39 | N38 | C49 | 109.0° | 118.8° |
| N38 | C39 | C42 | 110.4° | 108.6° |
| N38 | C39 | H391 | 109.2° | 109.6° |
| N38 | C39 | H392 | 109.2° | 109.6° |
| N38 | C49 | C46 | 109.8° | 108.9° |
| N38 | C49 | H491 | 109.4° | 109.6° |
| N38 | C49 | H492 | 109.4° | 109.6° |
| C39 | C42 | N45 | 109.6° | 108.7° |
| C42 | C39 | H391 | 109.2° | 109.6° |
| C42 | C39 | H392 | 109.2° | 109.7° |
| C39 | C42 | H421 | 109.4° | 109.6° |
| C39 | C42 | H422 | 109.4° | 109.6° |
| C42 | N45 | C46 | 112.6° | 118.8° |
| C42 | N45 | S52 | 115.6° | 120.6° |
| N45 | C42 | H421 | 109.5° | 109.7° |
| N45 | C42 | H422 | 109.4° | 109.7° |
| C46 | N45 | S52 | 114.6° | 120.5° |
| N45 | C46 | C49 | 110.1° | 108.7° |
| N45 | C46 | H461 | 109.3° | 109.6° |
| N45 | C46 | H462 | 109.3° | 109.6° |
| N45 | S52 | C53 | 107.6° | 104.5° |
| N45 | S52 | O57 | 106.9° | 104.3° |
| N45 | S52 | O58 | 107.0° | 104.2° |
| C46 | C49 | H491 | 109.4° | 109.5° |
| C46 | C49 | H492 | 109.4° | 109.5° |
| C49 | C46 | H461 | 109.3° | 109.7° |
| C49 | C46 | H462 | 109.3° | 109.5° |
| C53 | S52 | O57 | 108.4° | 110.6° |
| C53 | S52 | O58 | 108.3° | 110.5° |
| S52 | C53 | H531 | 109.5° | 109.5° |
| S52 | C53 | H532 | 109.5° | 109.5° |
| S52 | C53 | H533 | 109.5° | 109.5° |
| O57 | S52 | O58 | 118.3° | 121.0° |
| H011 | C01 | H012 | 109.5° | 109.5° |
| H011 | C01 | H013 | 109.5° | 109.5° |
| H012 | C01 | H013 | 109.4° | 109.5° |
| H161 | C16 | H162 | 109.4° | 109.5° |
| H161 | C16 | H163 | 109.5° | 109.5° |
| H162 | C16 | H163 | 109.5° | 109.5° |
| H241 | C24 | H242 | 109.5° | 109.5° |
| H241 | C24 | H243 | 109.5° | 109.5° |
| H242 | C24 | H243 | 109.5° | 109.5° |
| H391 | C39 | H392 | 109.5° | 109.8° |
| H491 | C49 | H492 | 109.5° | 109.7° |
| H421 | C42 | H422 | 109.5° | 109.7° |
| H461 | C46 | H462 | 109.5° | 109.8° |
| H531 | C53 | H532 | 109.5° | 109.5° |
| H531 | C53 | H533 | 109.5° | 109.4° |
| H532 | C53 | H533 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | O05 | C06 | C07 | 1.9° | 0.0° |
| C01 | O05 | C06 | C14 | 176.9° | 179.8° |
| O05 | C01 | H011 | H012 | 120.0° | 120.0° |
| O05 | C01 | H011 | H013 | 120.0° | 120.0° |
| O05 | C01 | H012 | H013 | 119.9° | 119.9° |
| O05 | C06 | C07 | C14 | 178.8° | 179.7° |
| O05 | C06 | C07 | C09 | 179.5° | 180.0° |
| O05 | C06 | C14 | C12 | 178.8° | 179.8° |
| O05 | C06 | C14 | O15 | 0.8° | 0.0° |
| C06 | O05 | C01 | H011 | 180.0° | 180.0° |
| C06 | O05 | C01 | H012 | 60.0° | 60.0° |
| C06 | O05 | C01 | H013 | 60.0° | 60.0° |
| O05 | C06 | C07 | H07 | 0.5° | 0.1° |
| C06 | C07 | C09 | H07 | 180.0° | 179.9° |
| C06 | C07 | C09 | C11 | 0.1° | 0.1° |
| C07 | C06 | C14 | C12 | 2.3° | 0.5° |
| C07 | C06 | C14 | O15 | 179.7° | 179.7° |
| C06 | C07 | C09 | H09 | 179.9° | 179.9° |
| C14 | C06 | C07 | C09 | 0.7° | 0.3° |
| C06 | C14 | C12 | C11 | 3.3° | 0.4° |
| C06 | C14 | C12 | O15 | 177.9° | 179.8° |
| C06 | C14 | O15 | C16 | 158.0° | 179.9° |
| C14 | C06 | C07 | H07 | 179.3° | 179.8° |
| C06 | C14 | C12 | H12 | 176.7° | 179.7° |
| C07 | C09 | C11 | H09 | 180.0° | 180.0° |
| C07 | C09 | C11 | C12 | 1.1° | 0.0° |
| C07 | C09 | C11 | C20 | 179.7° | 180.0° |
| C09 | C11 | C12 | C20 | 178.6° | 180.0° |
| C09 | C11 | C12 | C14 | 2.7° | 0.2° |
| C09 | C11 | C20 | C21 | 33.1° | 115.0° |
| C09 | C11 | C20 | C35 | 144.4° | 65.2° |
| C11 | C09 | C07 | H07 | 179.9° | 179.9° |
| C09 | C11 | C12 | H12 | 177.3° | 180.0° |
| C11 | C12 | C14 | H12 | 180.0° | 179.9° |
| C11 | C12 | C14 | O15 | 178.8° | 179.8° |
| C12 | C11 | C20 | C21 | 145.5° | 65.0° |
| C12 | C11 | C20 | C35 | 37.0° | 114.8° |
| C12 | C11 | C09 | H09 | 178.9° | 180.0° |
| C20 | C11 | C12 | C14 | 178.7° | 179.8° |
| C11 | C20 | C21 | C35 | 177.7° | 179.8° |
| C11 | C20 | C21 | N23 | 178.8° | 179.9° |
| C11 | C20 | C35 | C30 | 178.0° | 179.8° |
| C11 | C20 | C35 | S34 | 2.2° | 0.4° |
| C20 | C11 | C09 | H09 | 0.3° | 0.0° |
| C20 | C11 | C12 | H12 | 1.2° | 0.0° |
| C11 | C20 | C21 | H21 | 1.2° | 0.0° |
| C12 | C14 | O15 | C16 | 20.0° | 0.3° |
| O15 | C14 | C12 | H12 | 1.2° | 0.1° |
| C14 | O15 | C16 | H161 | 180.0° | 60.0° |
| C14 | O15 | C16 | H162 | 60.0° | 180.0° |
| C14 | O15 | C16 | H163 | 60.0° | 60.0° |
| O15 | C16 | H161 | H162 | 120.0° | 120.0° |
| O15 | C16 | H161 | H163 | 120.0° | 119.9° |
| O15 | C16 | H162 | H163 | 120.0° | 119.9° |
| C20 | C21 | N23 | H21 | 180.0° | 180.0° |
| C20 | C21 | N23 | C24 | 179.3° | 180.0° |
| C20 | C21 | N23 | C28 | 0.1° | 0.1° |
| C21 | C20 | C35 | C30 | 0.5° | 0.4° |
| C21 | C20 | C35 | S34 | 179.8° | 179.8° |
| C35 | C20 | C21 | N23 | 1.1° | 0.3° |
| C20 | C35 | C30 | C28 | 1.2° | 0.4° |
| C20 | C35 | C30 | C31 | 179.4° | 179.8° |
| C20 | C35 | C30 | S34 | 179.8° | 179.5° |
| C20 | C35 | S34 | C33 | 180.0° | 179.7° |
| C35 | C20 | C21 | H21 | 178.9° | 179.8° |
| C21 | N23 | C24 | C28 | 179.4° | 180.0° |
| C21 | N23 | C28 | O29 | 178.0° | 179.9° |
| C21 | N23 | C28 | C30 | 1.6° | 0.0° |
| C21 | N23 | C24 | H241 | 180.0° | 90.0° |
| C21 | N23 | C24 | H242 | 60.0° | 150.0° |
| C21 | N23 | C24 | H243 | 60.0° | 30.0° |
| C24 | N23 | C28 | O29 | 2.6° | 0.1° |
| C24 | N23 | C28 | C30 | 179.0° | 180.0° |
| C24 | N23 | C21 | H21 | 0.7° | 0.0° |
| N23 | C24 | H241 | H242 | 120.0° | 119.9° |
| N23 | C24 | H241 | H243 | 120.0° | 119.9° |
| N23 | C24 | H242 | H243 | 120.0° | 120.0° |
| N23 | C28 | O29 | C30 | 176.2° | 179.9° |
| N23 | C28 | C30 | C31 | 180.0° | 179.9° |
| N23 | C28 | C30 | C35 | 2.1° | 0.2° |
| C28 | N23 | C21 | H21 | 179.9° | 180.0° |
| C28 | N23 | C24 | H241 | 0.6° | 90.0° |
| C28 | N23 | C24 | H242 | 119.4° | 30.0° |
| C28 | N23 | C24 | H243 | 120.6° | 150.0° |
| O29 | C28 | C30 | C31 | 3.7° | 0.0° |
| O29 | C28 | C30 | C35 | 178.4° | 179.7° |
| C28 | C30 | C31 | C35 | 177.9° | 179.8° |
| C28 | C30 | C31 | C33 | 179.0° | 180.0° |
| C28 | C30 | C35 | S34 | 178.6° | 179.9° |
| C28 | C30 | C31 | H31 | 1.1° | 0.0° |
| C30 | C31 | C33 | H31 | 180.0° | 180.0° |
| C30 | C31 | C33 | S34 | 1.2° | 0.0° |
| C30 | C31 | C33 | C36 | 178.1° | 180.0° |
| C31 | C30 | C35 | S34 | 0.4° | 0.3° |
| C35 | C30 | C31 | C33 | 1.0° | 0.2° |
| C30 | C35 | S34 | C33 | 0.2° | 0.3° |
| C35 | C30 | C31 | H31 | 179.0° | 179.8° |
| C31 | C33 | S34 | C36 | 178.0° | 180.0° |
| C31 | C33 | S34 | C35 | 0.8° | 0.1° |
| C31 | C33 | C36 | O37 | 175.7° | 34.6° |
| C31 | C33 | C36 | N38 | 1.1° | 145.4° |
| S34 | C33 | C36 | O37 | 1.3° | 145.4° |
| S34 | C33 | C36 | N38 | 178.1° | 34.6° |
| S34 | C33 | C31 | H31 | 178.8° | 180.0° |
| C36 | C33 | S34 | C35 | 178.8° | 179.9° |
| C33 | C36 | O37 | N38 | 176.7° | 179.9° |
| C33 | C36 | N38 | C39 | 178.1° | 6.3° |
| C33 | C36 | N38 | C49 | 3.4° | 174.1° |
| C36 | C33 | C31 | H31 | 1.9° | 0.0° |
| O37 | C36 | N38 | C39 | 1.4° | 173.8° |
| O37 | C36 | N38 | C49 | 179.9° | 5.9° |
| C36 | N38 | C39 | C49 | 178.8° | 179.7° |
| C36 | N38 | C39 | C42 | 116.6° | 124.8° |
| C36 | N38 | C49 | C46 | 116.3° | 124.8° |
| C36 | N38 | C39 | H391 | 3.5° | 115.5° |
| C36 | N38 | C39 | H392 | 123.2° | 5.0° |
| C36 | N38 | C49 | H491 | 123.7° | 5.0° |
| C36 | N38 | C49 | H492 | 3.8° | 115.5° |
| N38 | C39 | C42 | H391 | 120.2° | 119.7° |
| N38 | C39 | C42 | H392 | 120.1° | 119.8° |
| N38 | C39 | C42 | N45 | 56.9° | 49.4° |
| C39 | N38 | C49 | C46 | 62.3° | 54.9° |
| N38 | C39 | H391 | H392 | 119.5° | 120.4° |
| C39 | N38 | C49 | H491 | 57.7° | 174.7° |
| C39 | N38 | C49 | H492 | 177.7° | 64.8° |
| N38 | C39 | C42 | H421 | 63.2° | 169.1° |
| N38 | C39 | C42 | H422 | 176.9° | 70.4° |
| C49 | N38 | C39 | C42 | 62.2° | 54.9° |
| N38 | C49 | C46 | N45 | 58.1° | 49.2° |
| N38 | C49 | C46 | H491 | 120.1° | 119.8° |
| N38 | C49 | C46 | H492 | 120.0° | 119.8° |
| C49 | N38 | C39 | H391 | 177.7° | 64.8° |
| C49 | N38 | C39 | H392 | 58.0° | 174.7° |
| N38 | C49 | H491 | H492 | 119.9° | 120.4° |
| N38 | C49 | C46 | H461 | 61.9° | 169.1° |
| N38 | C49 | C46 | H462 | 178.2° | 70.5° |
| C39 | C42 | N45 | H421 | 120.0° | 119.7° |
| C39 | C42 | N45 | H422 | 120.0° | 119.7° |
| C39 | C42 | N45 | C46 | 53.4° | 55.2° |
| C39 | C42 | N45 | S52 | 172.3° | 124.8° |
| C42 | C39 | H391 | H392 | 119.5° | 120.5° |
| C39 | C42 | H421 | H422 | 119.9° | 120.3° |
| C42 | N45 | C46 | S52 | 134.8° | 179.9° |
| C42 | N45 | C46 | C49 | 54.1° | 55.1° |
| C42 | N45 | S52 | C53 | 50.9° | 90.0° |
| C42 | N45 | S52 | O57 | 65.3° | 153.9° |
| C42 | N45 | S52 | O58 | 167.1° | 26.1° |
| N45 | C42 | C39 | H391 | 177.1° | 70.3° |
| N45 | C42 | C39 | H392 | 63.2° | 169.2° |
| N45 | C42 | H421 | H422 | 119.9° | 120.5° |
| C42 | N45 | C46 | H461 | 66.0° | 175.0° |
| C42 | N45 | C46 | H462 | 174.2° | 64.5° |
| N45 | C46 | C49 | H461 | 120.1° | 119.8° |
| N45 | C46 | C49 | H462 | 120.1° | 119.7° |
| C46 | N45 | S52 | C53 | 175.7° | 90.0° |
| C46 | N45 | S52 | O57 | 68.1° | 26.1° |
| C46 | N45 | S52 | O58 | 59.5° | 153.9° |
| N45 | C46 | C49 | H491 | 61.9° | 169.0° |
| N45 | C46 | C49 | H492 | 178.2° | 70.6° |
| C46 | N45 | C42 | H421 | 66.7° | 175.0° |
| C46 | N45 | C42 | H422 | 173.4° | 64.5° |
| N45 | C46 | H461 | H462 | 119.7° | 120.4° |
| S52 | N45 | C46 | C49 | 171.1° | 124.9° |
| N45 | S52 | C53 | O57 | 115.2° | 111.6° |
| N45 | S52 | C53 | O58 | 115.3° | 111.6° |
| N45 | S52 | O57 | O58 | 120.6° | 116.7° |
| S52 | N45 | C42 | H421 | 67.7° | 5.1° |
| S52 | N45 | C42 | H422 | 52.3° | 115.4° |
| S52 | N45 | C46 | H461 | 68.8° | 5.1° |
| S52 | N45 | C46 | H462 | 51.0° | 115.5° |
| N45 | S52 | C53 | H531 | 180.0° | 60.0° |
| N45 | S52 | C53 | H532 | 60.0° | 180.0° |
| N45 | S52 | C53 | H533 | 60.0° | 60.0° |
| C46 | C49 | H491 | H492 | 119.9° | 120.2° |
| C49 | C46 | H461 | H462 | 119.7° | 120.3° |
| C53 | S52 | O57 | O58 | 123.7° | 131.6° |
| S52 | C53 | H531 | H532 | 120.0° | 120.0° |
| S52 | C53 | H531 | H533 | 120.0° | 120.0° |
| S52 | C53 | H532 | H533 | 120.0° | 120.0° |
| O57 | S52 | C53 | H531 | 64.7° | 51.6° |
| O57 | S52 | C53 | H532 | 55.3° | 68.4° |
| O57 | S52 | C53 | H533 | 175.2° | 171.6° |
| O58 | S52 | C53 | H531 | 64.7° | 171.6° |
| O58 | S52 | C53 | H532 | 175.3° | 68.4° |
| O58 | S52 | C53 | H533 | 55.3° | 51.6° |
| H011 | C01 | H012 | H013 | 120.0° | 120.0° |
| H07 | C07 | C09 | H09 | 0.1° | 0.1° |
| H161 | C16 | H162 | H163 | 120.0° | 120.0° |
| H241 | C24 | H242 | H243 | 120.0° | 120.1° |
| H391 | C39 | C42 | H421 | 57.0° | 49.5° |
| H391 | C39 | C42 | H422 | 62.9° | 169.9° |
| H392 | C39 | C42 | H421 | 176.7° | 71.0° |
| H392 | C39 | C42 | H422 | 56.8° | 49.4° |
| H491 | C49 | C46 | H461 | 178.0° | 71.2° |
| H491 | C49 | C46 | H462 | 58.2° | 49.3° |
| H492 | C49 | C46 | H461 | 58.1° | 49.2° |
| H492 | C49 | C46 | H462 | 61.7° | 169.7° |
| H531 | C53 | H532 | H533 | 120.0° | 120.0° |
