P5S
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CA | C | sing | 1.51Å | 1.58Å | |
| O | C | doub | 1.21Å | 1.25Å | |
| C | OXT | sing | 1.34Å | 1.25Å | |
| CA | N | sing | 1.47Å | 1.47Å | |
| N | HN | sing | 1.01Å | 1.00Å | |
| N | HNA | sing | 1.01Å | 1.00Å | |
| O19 | C1 | sing | 1.45Å | 1.46Å | |
| C1 | C2 | sing | 1.53Å | 1.57Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C2 | O37 | sing | 1.45Å | 1.52Å | |
| C2 | C3 | sing | 1.53Å | 1.60Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| O16 | C3 | sing | 1.43Å | 1.48Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| CB | CA | sing | 1.53Å | 1.54Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | OG | sing | 1.43Å | 1.50Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CB | HBA | sing | 1.09Å | 1.10Å | |
| P12 | OG | sing | 1.61Å | 1.50Å | |
| O16 | P12 | sing | 1.61Å | 1.54Å | |
| O13 | P12 | doub | 1.48Å | 1.50Å | |
| P12 | O15 | sing | 1.61Å | 1.35Å | |
| O15 | HO15 | sing | 0.97Å | 0.95Å | |
| C20 | C17 | sing | 1.51Å | 1.54Å | |
| O19 | C17 | sing | 1.34Å | 1.42Å | |
| C17 | O18 | doub | 1.21Å | 1.23Å | |
| C21 | C20 | sing | 1.53Å | 1.54Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C21 | C22 | sing | 1.53Å | 1.56Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C23 | C22 | sing | 1.53Å | 1.55Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C24 | C23 | sing | 1.53Å | 1.58Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| C25 | C24 | sing | 1.53Å | 1.58Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C26 | C25 | sing | 1.53Å | 1.58Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| C26 | C27 | sing | 1.53Å | 1.58Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| C27 | C28 | sing | 1.53Å | 1.58Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| C29 | C28 | sing | 1.53Å | 1.58Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H28A | sing | 1.09Å | 1.10Å | |
| C30 | C29 | sing | 1.53Å | 1.57Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H29A | sing | 1.09Å | 1.10Å | |
| C31 | C30 | sing | 1.53Å | 1.58Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H30A | sing | 1.09Å | 1.10Å | |
| C31 | C32 | sing | 1.53Å | 1.57Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H31A | sing | 1.09Å | 1.10Å | |
| C33 | C32 | sing | 1.53Å | 1.56Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H32A | sing | 1.09Å | 1.10Å | |
| C33 | C34 | sing | 1.53Å | 1.55Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C33 | H33A | sing | 1.09Å | 1.10Å | |
| C35 | C34 | sing | 1.53Å | 1.55Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| C34 | H34A | sing | 1.09Å | 1.10Å | |
| C36 | C35 | sing | 1.53Å | 1.55Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| C35 | H35A | sing | 1.09Å | 1.10Å | |
| C36 | H36 | sing | 1.09Å | 1.10Å | |
| C36 | H36A | sing | 1.09Å | 1.10Å | |
| C36 | H36B | sing | 1.09Å | 1.10Å | |
| C38 | O37 | sing | 1.34Å | 1.49Å | |
| O47 | C38 | doub | 1.21Å | 1.24Å | |
| C38 | C39 | sing | 1.51Å | 1.54Å | |
| C40 | C39 | sing | 1.53Å | 1.55Å | |
| C39 | H39 | sing | 1.09Å | 1.10Å | |
| C39 | H39A | sing | 1.09Å | 1.10Å | |
| C41 | C40 | sing | 1.53Å | 1.58Å | |
| C40 | H40 | sing | 1.09Å | 1.10Å | |
| C40 | H40A | sing | 1.09Å | 1.10Å | |
| C42 | C41 | sing | 1.53Å | 1.58Å | |
| C41 | H41 | sing | 1.09Å | 1.10Å | |
| C41 | H41A | sing | 1.09Å | 1.10Å | |
| C43 | C42 | sing | 1.53Å | 1.58Å | |
| C42 | H42 | sing | 1.09Å | 1.10Å | |
| C42 | H42A | sing | 1.09Å | 1.10Å | |
| C43 | C44 | sing | 1.53Å | 1.56Å | |
| C43 | H43 | sing | 1.09Å | 1.10Å | |
| C43 | H43A | sing | 1.09Å | 1.10Å | |
| C44 | C45 | sing | 1.53Å | 1.56Å | |
| C44 | H44 | sing | 1.09Å | 1.10Å | |
| C44 | H44A | sing | 1.09Å | 1.10Å | |
| C45 | C46 | sing | 1.53Å | 1.52Å | |
| C45 | H45 | sing | 1.09Å | 1.10Å | |
| C45 | H45A | sing | 1.09Å | 1.10Å | |
| C46 | C48 | sing | 1.53Å | 1.34Å | |
| C46 | H46 | sing | 1.09Å | 1.10Å | |
| C46 | H46A | sing | 1.09Å | 1.10Å | |
| C48 | C49 | sing | 1.53Å | 1.52Å | |
| C48 | H48 | sing | 1.09Å | 1.10Å | |
| C48 | H48A | sing | 1.09Å | 1.10Å | |
| C49 | C50 | sing | 1.53Å | 1.56Å | |
| C49 | H49 | sing | 1.09Å | 1.10Å | |
| C49 | H49A | sing | 1.09Å | 1.10Å | |
| C50 | C51 | sing | 1.53Å | 1.56Å | |
| C50 | H50 | sing | 1.09Å | 1.10Å | |
| C50 | H50A | sing | 1.09Å | 1.10Å | |
| C51 | C52 | sing | 1.53Å | 1.56Å | |
| C51 | H51 | sing | 1.09Å | 1.10Å | |
| C51 | H51A | sing | 1.09Å | 1.10Å | |
| C53 | C52 | sing | 1.53Å | 1.55Å | |
| C52 | H52 | sing | 1.09Å | 1.10Å | |
| C52 | H52A | sing | 1.09Å | 1.10Å | |
| C53 | C54 | sing | 1.53Å | 1.56Å | |
| C53 | H53 | sing | 1.09Å | 1.10Å | |
| C53 | H53A | sing | 1.09Å | 1.10Å | |
| C55 | C54 | sing | 1.53Å | 1.55Å | |
| C54 | H54 | sing | 1.09Å | 1.10Å | |
| C54 | H54A | sing | 1.09Å | 1.10Å | |
| C55 | C56 | sing | 1.53Å | 1.56Å | |
| C55 | H55 | sing | 1.09Å | 1.10Å | |
| C55 | H55A | sing | 1.09Å | 1.10Å | |
| C56 | H56 | sing | 1.09Å | 1.10Å | |
| C56 | H56A | sing | 1.09Å | 1.10Å | |
| C56 | H56B | sing | 1.09Å | 1.10Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | C | O | 118.6° | 120.0° |
| CA | C | OXT | 118.8° | 120.0° |
| C | CA | N | 108.1° | 109.5° |
| C | CA | CB | 118.8° | 109.4° |
| C | CA | HA | 106.5° | 109.5° |
| O | C | OXT | 122.2° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| CA | N | HN | 109.5° | 111.0° |
| CA | N | HNA | 109.4° | 111.0° |
| N | CA | CB | 108.3° | 109.5° |
| N | CA | HA | 107.7° | 109.5° |
| HN | N | HNA | 109.5° | 111.0° |
| O19 | C1 | C2 | 97.7° | 109.5° |
| O19 | C1 | H1 | 112.4° | 109.5° |
| O19 | C1 | H1A | 112.3° | 109.5° |
| C1 | O19 | C17 | 118.2° | 117.0° |
| C2 | C1 | H1 | 112.3° | 109.5° |
| C2 | C1 | H1A | 112.3° | 109.5° |
| C1 | C2 | O37 | 113.6° | 109.5° |
| C1 | C2 | C3 | 112.4° | 109.4° |
| C1 | C2 | H2 | 108.3° | 109.5° |
| H1 | C1 | H1A | 109.5° | 109.5° |
| O37 | C2 | C3 | 105.2° | 109.5° |
| O37 | C2 | H2 | 109.1° | 109.5° |
| C2 | O37 | C38 | 124.6° | 117.0° |
| C3 | C2 | H2 | 108.0° | 109.4° |
| C2 | C3 | O16 | 105.5° | 109.4° |
| C2 | C3 | H3 | 110.4° | 109.5° |
| C2 | C3 | H3A | 110.5° | 109.4° |
| O16 | C3 | H3 | 110.5° | 109.5° |
| O16 | C3 | H3A | 110.4° | 109.5° |
| C3 | O16 | P12 | 109.3° | 123.0° |
| H3 | C3 | H3A | 109.5° | 109.5° |
| CB | CA | HA | 106.9° | 109.4° |
| CA | CB | OG | 107.4° | 109.5° |
| CA | CB | HB | 110.0° | 109.4° |
| CA | CB | HBA | 110.0° | 109.4° |
| OG | CB | HB | 110.0° | 109.5° |
| OG | CB | HBA | 110.0° | 109.5° |
| CB | OG | P12 | 115.3° | 123.0° |
| HB | CB | HBA | 109.5° | 109.5° |
| OG | P12 | O16 | 116.6° | 109.4° |
| OG | P12 | O13 | 104.2° | 109.5° |
| OG | P12 | O15 | 106.6° | 109.5° |
| O16 | P12 | O13 | 105.8° | 109.4° |
| O16 | P12 | O15 | 113.1° | 109.5° |
| O13 | P12 | O15 | 110.1° | 109.5° |
| P12 | O15 | HO15 | 109.5° | 114.0° |
| C20 | C17 | O19 | 114.3° | 120.0° |
| C20 | C17 | O18 | 124.0° | 120.0° |
| C17 | C20 | C21 | 115.8° | 109.4° |
| C17 | C20 | H20 | 107.8° | 109.4° |
| C17 | C20 | H20A | 107.9° | 109.5° |
| O19 | C17 | O18 | 120.0° | 120.0° |
| C21 | C20 | H20 | 107.9° | 109.4° |
| C21 | C20 | H20A | 107.9° | 109.5° |
| C20 | C21 | C22 | 99.4° | 109.4° |
| C20 | C21 | H21 | 111.9° | 109.4° |
| C20 | C21 | H21A | 111.9° | 109.5° |
| H20 | C20 | H20A | 109.5° | 109.5° |
| C22 | C21 | H21 | 111.9° | 109.5° |
| C22 | C21 | H21A | 111.9° | 109.5° |
| C21 | C22 | C23 | 105.7° | 109.5° |
| C21 | C22 | H22 | 110.4° | 109.5° |
| C21 | C22 | H22A | 110.4° | 109.5° |
| H21 | C21 | H21A | 109.5° | 109.5° |
| C23 | C22 | H22 | 110.4° | 109.5° |
| C23 | C22 | H22A | 110.4° | 109.5° |
| C22 | C23 | C24 | 111.7° | 109.5° |
| C22 | C23 | H23 | 108.9° | 109.4° |
| C22 | C23 | H23A | 108.9° | 109.4° |
| H22 | C22 | H22A | 109.5° | 109.4° |
| C24 | C23 | H23 | 108.9° | 109.5° |
| C24 | C23 | H23A | 108.9° | 109.4° |
| C23 | C24 | C25 | 102.7° | 109.5° |
| C23 | C24 | H24 | 111.1° | 109.5° |
| C23 | C24 | H24A | 111.1° | 109.4° |
| H23 | C23 | H23A | 109.5° | 109.5° |
| C25 | C24 | H24 | 111.1° | 109.5° |
| C25 | C24 | H24A | 111.1° | 109.5° |
| C24 | C25 | C26 | 116.6° | 109.5° |
| C24 | C25 | H25 | 107.6° | 109.5° |
| C24 | C25 | H25A | 107.6° | 109.5° |
| H24 | C24 | H24A | 109.5° | 109.4° |
| C26 | C25 | H25 | 107.7° | 109.4° |
| C26 | C25 | H25A | 107.7° | 109.4° |
| C25 | C26 | C27 | 107.6° | 109.5° |
| C25 | C26 | H26 | 110.0° | 109.4° |
| C25 | C26 | H26A | 109.9° | 109.5° |
| H25 | C25 | H25A | 109.5° | 109.5° |
| C27 | C26 | H26 | 109.9° | 109.5° |
| C27 | C26 | H26A | 110.0° | 109.4° |
| C26 | C27 | C28 | 111.6° | 109.5° |
| C26 | C27 | H27 | 109.0° | 109.5° |
| C26 | C27 | H27A | 108.9° | 109.5° |
| H26 | C26 | H26A | 109.4° | 109.5° |
| C28 | C27 | H27 | 108.9° | 109.5° |
| C28 | C27 | H27A | 108.9° | 109.5° |
| C27 | C28 | C29 | 110.0° | 109.5° |
| C27 | C28 | H28 | 109.3° | 109.5° |
| C27 | C28 | H28A | 109.3° | 109.5° |
| H27 | C27 | H27A | 109.5° | 109.4° |
| C29 | C28 | H28 | 109.3° | 109.4° |
| C29 | C28 | H28A | 109.4° | 109.5° |
| C28 | C29 | C30 | 111.5° | 109.5° |
| C28 | C29 | H29 | 109.0° | 109.4° |
| C28 | C29 | H29A | 109.0° | 109.5° |
| H28 | C28 | H28A | 109.5° | 109.5° |
| C30 | C29 | H29 | 109.0° | 109.5° |
| C30 | C29 | H29A | 109.0° | 109.5° |
| C29 | C30 | C31 | 114.3° | 109.4° |
| C29 | C30 | H30 | 108.3° | 109.5° |
| C29 | C30 | H30A | 108.2° | 109.5° |
| H29 | C29 | H29A | 109.4° | 109.4° |
| C31 | C30 | H30 | 108.2° | 109.5° |
| C31 | C30 | H30A | 108.3° | 109.4° |
| C30 | C31 | C32 | 106.7° | 109.5° |
| C30 | C31 | H31 | 110.1° | 109.5° |
| C30 | C31 | H31A | 110.2° | 109.4° |
| H30 | C30 | H30A | 109.5° | 109.5° |
| C32 | C31 | H31 | 110.2° | 109.5° |
| C32 | C31 | H31A | 110.2° | 109.5° |
| C31 | C32 | C33 | 114.0° | 109.5° |
| C31 | C32 | H32 | 108.3° | 109.4° |
| C31 | C32 | H32A | 108.3° | 109.4° |
| H31 | C31 | H31A | 109.5° | 109.5° |
| C33 | C32 | H32 | 108.3° | 109.5° |
| C33 | C32 | H32A | 108.4° | 109.6° |
| C32 | C33 | C34 | 108.4° | 109.5° |
| C32 | C33 | H33 | 109.8° | 109.5° |
| C32 | C33 | H33A | 109.8° | 109.5° |
| H32 | C32 | H32A | 109.5° | 109.4° |
| C34 | C33 | H33 | 109.8° | 109.4° |
| C34 | C33 | H33A | 109.7° | 109.4° |
| C33 | C34 | C35 | 111.3° | 109.5° |
| C33 | C34 | H34 | 109.0° | 109.5° |
| C33 | C34 | H34A | 109.0° | 109.5° |
| H33 | C33 | H33A | 109.4° | 109.5° |
| C35 | C34 | H34 | 109.0° | 109.5° |
| C35 | C34 | H34A | 109.0° | 109.5° |
| C34 | C35 | C36 | 109.1° | 109.5° |
| C34 | C35 | H35 | 109.6° | 109.5° |
| C34 | C35 | H35A | 109.6° | 109.4° |
| H34 | C34 | H34A | 109.5° | 109.4° |
| C36 | C35 | H35 | 109.6° | 109.5° |
| C36 | C35 | H35A | 109.6° | 109.5° |
| C35 | C36 | H36 | 109.5° | 109.5° |
| C35 | C36 | H36A | 109.5° | 109.5° |
| C35 | C36 | H36B | 109.5° | 109.5° |
| H35 | C35 | H35A | 109.5° | 109.5° |
| H36 | C36 | H36A | 109.4° | 109.5° |
| H36 | C36 | H36B | 109.5° | 109.4° |
| H36A | C36 | H36B | 109.5° | 109.5° |
| O37 | C38 | O47 | 114.2° | 120.0° |
| O37 | C38 | C39 | 126.0° | 120.0° |
| O47 | C38 | C39 | 119.8° | 120.0° |
| C38 | C39 | C40 | 114.8° | 109.5° |
| C38 | C39 | H39 | 108.1° | 109.5° |
| C38 | C39 | H39A | 108.1° | 109.5° |
| C40 | C39 | H39 | 108.1° | 109.5° |
| C40 | C39 | H39A | 108.1° | 109.5° |
| C39 | C40 | C41 | 106.5° | 109.5° |
| C39 | C40 | H40 | 110.2° | 109.5° |
| C39 | C40 | H40A | 110.2° | 109.5° |
| H39 | C39 | H39A | 109.5° | 109.4° |
| C41 | C40 | H40 | 110.2° | 109.5° |
| C41 | C40 | H40A | 110.2° | 109.5° |
| C40 | C41 | C42 | 110.7° | 109.5° |
| C40 | C41 | H41 | 109.1° | 109.5° |
| C40 | C41 | H41A | 109.1° | 109.5° |
| H40 | C40 | H40A | 109.4° | 109.4° |
| C42 | C41 | H41 | 109.2° | 109.4° |
| C42 | C41 | H41A | 109.1° | 109.4° |
| C41 | C42 | C43 | 110.4° | 109.5° |
| C41 | C42 | H42 | 109.3° | 109.5° |
| C41 | C42 | H42A | 109.2° | 109.5° |
| H41 | C41 | H41A | 109.5° | 109.5° |
| C43 | C42 | H42 | 109.2° | 109.5° |
| C43 | C42 | H42A | 109.3° | 109.4° |
| C42 | C43 | C44 | 110.4° | 109.5° |
| C42 | C43 | H43 | 109.2° | 109.5° |
| C42 | C43 | H43A | 109.2° | 109.5° |
| H42 | C42 | H42A | 109.5° | 109.5° |
| C44 | C43 | H43 | 109.2° | 109.5° |
| C44 | C43 | H43A | 109.2° | 109.5° |
| C43 | C44 | C45 | 106.7° | 109.5° |
| C43 | C44 | H44 | 110.2° | 109.5° |
| C43 | C44 | H44A | 110.2° | 109.5° |
| H43 | C43 | H43A | 109.5° | 109.4° |
| C45 | C44 | H44 | 110.2° | 109.4° |
| C45 | C44 | H44A | 110.2° | 109.4° |
| C44 | C45 | C46 | 112.0° | 109.5° |
| C44 | C45 | H45 | 108.9° | 109.5° |
| C44 | C45 | H45A | 108.9° | 109.5° |
| H44 | C44 | H44A | 109.5° | 109.5° |
| C46 | C45 | H45 | 108.9° | 109.4° |
| C46 | C45 | H45A | 108.8° | 109.5° |
| C45 | C46 | C48 | 117.4° | 109.4° |
| C45 | C46 | H46 | 107.5° | 109.5° |
| C45 | C46 | H46A | 107.5° | 109.4° |
| H45 | C45 | H45A | 109.5° | 109.5° |
| C48 | C46 | H46 | 107.5° | 109.4° |
| C48 | C46 | H46A | 107.5° | 109.5° |
| C46 | C48 | C49 | 121.8° | 109.4° |
| C46 | C48 | H48 | 106.3° | 109.4° |
| C46 | C48 | H48A | 106.3° | 109.4° |
| H46 | C46 | H46A | 109.5° | 109.5° |
| C49 | C48 | H48 | 106.3° | 109.5° |
| C49 | C48 | H48A | 106.3° | 109.5° |
| C48 | C49 | C50 | 113.4° | 109.5° |
| C48 | C49 | H49 | 108.5° | 109.5° |
| C48 | C49 | H49A | 108.5° | 109.5° |
| H48 | C48 | H48A | 109.5° | 109.5° |
| C50 | C49 | H49 | 108.5° | 109.4° |
| C50 | C49 | H49A | 108.5° | 109.5° |
| C49 | C50 | C51 | 109.8° | 109.5° |
| C49 | C50 | H50 | 109.4° | 109.5° |
| C49 | C50 | H50A | 109.4° | 109.5° |
| H49 | C49 | H49A | 109.5° | 109.4° |
| C51 | C50 | H50 | 109.4° | 109.4° |
| C51 | C50 | H50A | 109.4° | 109.4° |
| C50 | C51 | C52 | 111.9° | 109.5° |
| C50 | C51 | H51 | 108.8° | 109.5° |
| C50 | C51 | H51A | 108.9° | 109.5° |
| H50 | C50 | H50A | 109.5° | 109.5° |
| C52 | C51 | H51 | 108.9° | 109.4° |
| C52 | C51 | H51A | 108.8° | 109.5° |
| C51 | C52 | C53 | 111.0° | 109.5° |
| C51 | C52 | H52 | 109.1° | 109.4° |
| C51 | C52 | H52A | 109.1° | 109.4° |
| H51 | C51 | H51A | 109.5° | 109.5° |
| C53 | C52 | H52 | 109.1° | 109.5° |
| C53 | C52 | H52A | 109.1° | 109.5° |
| C52 | C53 | C54 | 111.2° | 109.5° |
| C52 | C53 | H53 | 109.0° | 109.5° |
| C52 | C53 | H53A | 109.1° | 109.5° |
| H52 | C52 | H52A | 109.5° | 109.5° |
| C54 | C53 | H53 | 109.0° | 109.4° |
| C54 | C53 | H53A | 109.1° | 109.5° |
| C53 | C54 | C55 | 110.8° | 109.5° |
| C53 | C54 | H54 | 109.1° | 109.5° |
| C53 | C54 | H54A | 109.2° | 109.5° |
| H53 | C53 | H53A | 109.5° | 109.4° |
| C55 | C54 | H54 | 109.1° | 109.4° |
| C55 | C54 | H54A | 109.1° | 109.5° |
| C54 | C55 | C56 | 112.0° | 109.5° |
| C54 | C55 | H55 | 108.8° | 109.5° |
| C54 | C55 | H55A | 108.8° | 109.4° |
| H54 | C54 | H54A | 109.5° | 109.5° |
| C56 | C55 | H55 | 108.8° | 109.5° |
| C56 | C55 | H55A | 108.8° | 109.4° |
| C55 | C56 | H56 | 109.5° | 109.5° |
| C55 | C56 | H56A | 109.4° | 109.5° |
| C55 | C56 | H56B | 109.5° | 109.5° |
| H55 | C55 | H55A | 109.5° | 109.5° |
| H56 | C56 | H56A | 109.5° | 109.5° |
| H56 | C56 | H56B | 109.4° | 109.5° |
| H56A | C56 | H56B | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | C | O | OXT | 173.0° | 179.8° |
| C | CA | N | CB | 130.0° | 120.0° |
| C | CA | N | HA | 114.7° | 120.1° |
| C | CA | N | HN | 180.0° | 64.0° |
| C | CA | N | HNA | 60.0° | 60.0° |
| C | CA | CB | HA | 120.4° | 120.0° |
| C | CA | CB | OG | 74.2° | 175.0° |
| C | CA | CB | HB | 45.5° | 65.0° |
| C | CA | CB | HBA | 166.1° | 55.0° |
| CA | C | OXT | HXT | 173.0° | 179.8° |
| O | C | CA | N | 140.5° | 20.2° |
| O | C | CA | CB | 16.6° | 99.7° |
| O | C | CA | HA | 104.0° | 140.3° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| OXT | C | CA | N | 32.7° | 160.0° |
| OXT | C | CA | CB | 156.6° | 80.0° |
| OXT | C | CA | HA | 82.8° | 40.0° |
| CA | N | HN | HNA | 120.0° | 124.0° |
| N | CA | CB | HA | 115.9° | 120.0° |
| N | CA | CB | OG | 49.6° | 65.0° |
| N | CA | CB | HB | 169.3° | 55.0° |
| N | CA | CB | HBA | 70.1° | 175.0° |
| HN | N | CA | CB | 50.0° | 176.1° |
| HN | N | CA | HA | 65.3° | 56.1° |
| HNA | N | CA | CB | 170.0° | 60.0° |
| HNA | N | CA | HA | 54.7° | 179.9° |
| O19 | C1 | C2 | H1 | 118.0° | 120.0° |
| O19 | C1 | C2 | H1A | 118.0° | 120.0° |
| O19 | C1 | H1 | H1A | 125.5° | 120.0° |
| O19 | C1 | C2 | O37 | 70.8° | 65.0° |
| O19 | C1 | C2 | C3 | 169.8° | 55.1° |
| O19 | C1 | C2 | H2 | 50.5° | 175.0° |
| C1 | O19 | C17 | C20 | 159.5° | 180.0° |
| C1 | O19 | C17 | O18 | 6.5° | 0.1° |
| C2 | C1 | H1 | H1A | 125.5° | 120.0° |
| C1 | C2 | O37 | C3 | 123.3° | 120.0° |
| C1 | C2 | O37 | H2 | 121.0° | 120.0° |
| C1 | C2 | C3 | H2 | 119.5° | 120.0° |
| C1 | C2 | C3 | O16 | 174.1° | 55.1° |
| C1 | C2 | C3 | H3 | 66.5° | 65.0° |
| C1 | C2 | C3 | H3A | 54.7° | 175.0° |
| C2 | C1 | O19 | C17 | 119.9° | 180.0° |
| C1 | C2 | O37 | C38 | 128.4° | 150.0° |
| H1 | C1 | C2 | O37 | 47.2° | 55.0° |
| H1 | C1 | C2 | C3 | 72.1° | 175.1° |
| H1 | C1 | C2 | H2 | 168.6° | 65.0° |
| H1 | C1 | O19 | C17 | 1.9° | 60.0° |
| H1A | C1 | C2 | O37 | 171.2° | 175.0° |
| H1A | C1 | C2 | C3 | 51.8° | 65.0° |
| H1A | C1 | C2 | H2 | 67.5° | 55.0° |
| H1A | C1 | O19 | C17 | 122.1° | 59.9° |
| O37 | C2 | C3 | H2 | 116.4° | 120.0° |
| O37 | C2 | C3 | O16 | 61.8° | 65.0° |
| O37 | C2 | C3 | H3 | 57.6° | 175.0° |
| O37 | C2 | C3 | H3A | 178.9° | 55.0° |
| C2 | O37 | C38 | O47 | 3.2° | 0.0° |
| C2 | O37 | C38 | C39 | 173.9° | 180.0° |
| C2 | C3 | O16 | H3 | 119.4° | 120.0° |
| C2 | C3 | O16 | H3A | 119.4° | 119.9° |
| C2 | C3 | H3 | H3A | 121.8° | 120.0° |
| C2 | C3 | O16 | P12 | 163.4° | 180.0° |
| C3 | C2 | O37 | C38 | 108.3° | 90.0° |
| H2 | C2 | C3 | O16 | 54.6° | 175.0° |
| H2 | C2 | C3 | H3 | 174.0° | 55.0° |
| H2 | C2 | C3 | H3A | 64.7° | 65.0° |
| H2 | C2 | O37 | C38 | 7.4° | 30.0° |
| O16 | C3 | H3 | H3A | 121.8° | 120.0° |
| C3 | O16 | P12 | OG | 87.4° | 175.0° |
| C3 | O16 | P12 | O13 | 157.3° | 55.1° |
| C3 | O16 | P12 | O15 | 36.6° | 64.9° |
| H3 | C3 | O16 | P12 | 44.1° | 60.0° |
| H3A | C3 | O16 | P12 | 77.2° | 60.1° |
| CA | CB | OG | HB | 119.7° | 120.0° |
| CA | CB | OG | HBA | 119.7° | 120.0° |
| CA | CB | HB | HBA | 121.0° | 119.9° |
| CA | CB | OG | P12 | 172.8° | 180.0° |
| HA | CA | CB | OG | 165.5° | 55.0° |
| HA | CA | CB | HB | 74.9° | 175.0° |
| HA | CA | CB | HBA | 45.8° | 65.1° |
| OG | CB | HB | HBA | 121.0° | 120.1° |
| CB | OG | P12 | O16 | 44.6° | 175.0° |
| CB | OG | P12 | O13 | 71.6° | 55.0° |
| CB | OG | P12 | O15 | 171.9° | 65.0° |
| HB | CB | OG | P12 | 67.5° | 60.0° |
| HBA | CB | OG | P12 | 53.1° | 60.0° |
| OG | P12 | O16 | O13 | 115.3° | 120.0° |
| OG | P12 | O16 | O15 | 124.1° | 120.0° |
| OG | P12 | O13 | O15 | 114.0° | 120.0° |
| OG | P12 | O15 | HO15 | 112.4° | 60.0° |
| O16 | P12 | O13 | O15 | 122.5° | 120.0° |
| O16 | P12 | O15 | HO15 | 118.1° | 60.0° |
| O13 | P12 | O15 | HO15 | 0.0° | 180.0° |
| C20 | C17 | O19 | O18 | 166.1° | 179.9° |
| C17 | C20 | C21 | H20 | 120.9° | 119.9° |
| C17 | C20 | C21 | H20A | 120.9° | 120.0° |
| C17 | C20 | H20 | H20A | 117.1° | 120.0° |
| C17 | C20 | C21 | C22 | 58.4° | 180.0° |
| C17 | C20 | C21 | H21 | 176.7° | 60.1° |
| C17 | C20 | C21 | H21A | 59.9° | 60.0° |
| O19 | C17 | C20 | C21 | 115.6° | 180.0° |
| O19 | C17 | C20 | H20 | 123.5° | 60.1° |
| O19 | C17 | C20 | H20A | 5.3° | 59.9° |
| O18 | C17 | C20 | C21 | 79.0° | 0.1° |
| O18 | C17 | C20 | H20 | 42.0° | 120.0° |
| O18 | C17 | C20 | H20A | 160.1° | 120.0° |
| C21 | C20 | H20 | H20A | 117.1° | 120.1° |
| C20 | C21 | C22 | H21 | 118.3° | 119.9° |
| C20 | C21 | C22 | H21A | 118.3° | 120.0° |
| C20 | C21 | H21 | H21A | 124.7° | 120.0° |
| C20 | C21 | C22 | C23 | 127.3° | 180.0° |
| C20 | C21 | C22 | H22 | 7.9° | 60.0° |
| C20 | C21 | C22 | H22A | 113.3° | 60.0° |
| H20 | C20 | C21 | C22 | 62.5° | 60.1° |
| H20 | C20 | C21 | H21 | 55.8° | 180.0° |
| H20 | C20 | C21 | H21A | 179.2° | 59.9° |
| H20A | C20 | C21 | C22 | 179.4° | 60.0° |
| H20A | C20 | C21 | H21 | 62.3° | 59.9° |
| H20A | C20 | C21 | H21A | 61.0° | 180.0° |
| C22 | C21 | H21 | H21A | 124.7° | 120.0° |
| C21 | C22 | C23 | H22 | 119.4° | 120.0° |
| C21 | C22 | C23 | H22A | 119.4° | 120.0° |
| C21 | C22 | H22 | H22A | 121.7° | 120.0° |
| C21 | C22 | C23 | C24 | 30.1° | 179.9° |
| C21 | C22 | C23 | H23 | 90.2° | 60.0° |
| C21 | C22 | C23 | H23A | 150.5° | 60.0° |
| H21 | C21 | C22 | C23 | 114.4° | 60.0° |
| H21 | C21 | C22 | H22 | 126.2° | 180.0° |
| H21 | C21 | C22 | H22A | 5.0° | 60.0° |
| H21A | C21 | C22 | C23 | 9.0° | 60.0° |
| H21A | C21 | C22 | H22 | 110.4° | 60.0° |
| H21A | C21 | C22 | H22A | 128.4° | 180.0° |
| C23 | C22 | H22 | H22A | 121.8° | 120.0° |
| C22 | C23 | C24 | H23 | 120.3° | 120.0° |
| C22 | C23 | C24 | H23A | 120.3° | 120.0° |
| C22 | C23 | H23 | H23A | 119.0° | 120.0° |
| C22 | C23 | C24 | C25 | 175.6° | 180.0° |
| C22 | C23 | C24 | H24 | 56.7° | 59.9° |
| C22 | C23 | C24 | H24A | 65.5° | 60.0° |
| H22 | C22 | C23 | C24 | 149.5° | 59.9° |
| H22 | C22 | C23 | H23 | 29.2° | 180.0° |
| H22 | C22 | C23 | H23A | 90.1° | 60.0° |
| H22A | C22 | C23 | C24 | 89.3° | 60.0° |
| H22A | C22 | C23 | H23 | 150.4° | 60.1° |
| H22A | C22 | C23 | H23A | 31.1° | 180.0° |
| C24 | C23 | H23 | H23A | 119.0° | 120.0° |
| C23 | C24 | C25 | H24 | 118.9° | 120.1° |
| C23 | C24 | C25 | H24A | 118.9° | 120.0° |
| C23 | C24 | H24 | H24A | 123.1° | 119.9° |
| C23 | C24 | C25 | C26 | 160.5° | 180.0° |
| C23 | C24 | C25 | H25 | 78.5° | 60.0° |
| C23 | C24 | C25 | H25A | 39.4° | 60.1° |
| H23 | C23 | C24 | C25 | 64.1° | 60.0° |
| H23 | C23 | C24 | H24 | 177.0° | 179.9° |
| H23 | C23 | C24 | H24A | 54.8° | 60.0° |
| H23A | C23 | C24 | C25 | 55.3° | 60.1° |
| H23A | C23 | C24 | H24 | 63.6° | 60.0° |
| H23A | C23 | C24 | H24A | 174.2° | 179.9° |
| C25 | C24 | H24 | H24A | 123.1° | 120.0° |
| C24 | C25 | C26 | H25 | 121.0° | 120.1° |
| C24 | C25 | C26 | H25A | 121.0° | 120.0° |
| C24 | C25 | H25 | H25A | 116.7° | 120.0° |
| C24 | C25 | C26 | C27 | 160.2° | 180.0° |
| C24 | C25 | C26 | H26 | 80.1° | 59.9° |
| C24 | C25 | C26 | H26A | 40.4° | 60.0° |
| H24 | C24 | C25 | C26 | 41.6° | 59.9° |
| H24 | C24 | C25 | H25 | 162.6° | 180.0° |
| H24 | C24 | C25 | H25A | 79.5° | 60.0° |
| H24A | C24 | C25 | C26 | 80.6° | 60.0° |
| H24A | C24 | C25 | H25 | 40.4° | 60.0° |
| H24A | C24 | C25 | H25A | 158.3° | 180.0° |
| C26 | C25 | H25 | H25A | 116.8° | 119.9° |
| C25 | C26 | C27 | H26 | 119.7° | 120.0° |
| C25 | C26 | C27 | H26A | 119.7° | 120.0° |
| C25 | C26 | H26 | H26A | 120.9° | 120.0° |
| C25 | C26 | C27 | C28 | 65.3° | 180.0° |
| C25 | C26 | C27 | H27 | 55.0° | 59.9° |
| C25 | C26 | C27 | H27A | 174.4° | 60.0° |
| H25 | C25 | C26 | C27 | 39.1° | 59.9° |
| H25 | C25 | C26 | H26 | 158.8° | 180.0° |
| H25 | C25 | C26 | H26A | 80.6° | 60.0° |
| H25A | C25 | C26 | C27 | 78.8° | 60.0° |
| H25A | C25 | C26 | H26 | 40.9° | 60.0° |
| H25A | C25 | C26 | H26A | 161.5° | 180.0° |
| C27 | C26 | H26 | H26A | 120.9° | 120.0° |
| C26 | C27 | C28 | H27 | 120.3° | 120.1° |
| C26 | C27 | C28 | H27A | 120.3° | 120.0° |
| C26 | C27 | H27 | H27A | 119.0° | 120.0° |
| C26 | C27 | C28 | C29 | 95.8° | 179.9° |
| C26 | C27 | C28 | H28 | 24.3° | 60.0° |
| C26 | C27 | C28 | H28A | 144.1° | 60.0° |
| H26 | C26 | C27 | C28 | 175.0° | 60.0° |
| H26 | C26 | C27 | H27 | 64.7° | 180.0° |
| H26 | C26 | C27 | H27A | 54.7° | 60.0° |
| H26A | C26 | C27 | C28 | 54.4° | 60.0° |
| H26A | C26 | C27 | H27 | 174.8° | 60.0° |
| H26A | C26 | C27 | H27A | 65.9° | 180.0° |
| C28 | C27 | H27 | H27A | 119.0° | 119.9° |
| C27 | C28 | C29 | H28 | 120.1° | 120.0° |
| C27 | C28 | C29 | H28A | 120.1° | 120.0° |
| C27 | C28 | H28 | H28A | 119.7° | 120.0° |
| C27 | C28 | C29 | C30 | 105.0° | 180.0° |
| C27 | C28 | C29 | H29 | 15.3° | 60.0° |
| C27 | C28 | C29 | H29A | 134.7° | 60.0° |
| H27 | C27 | C28 | C29 | 143.9° | 60.0° |
| H27 | C27 | C28 | H28 | 96.1° | 179.9° |
| H27 | C27 | C28 | H28A | 23.8° | 60.0° |
| H27A | C27 | C28 | C29 | 24.5° | 59.9° |
| H27A | C27 | C28 | H28 | 144.6° | 60.0° |
| H27A | C27 | C28 | H28A | 95.6° | 179.9° |
| C29 | C28 | H28 | H28A | 119.7° | 120.0° |
| C28 | C29 | C30 | H29 | 120.3° | 120.0° |
| C28 | C29 | C30 | H29A | 120.3° | 120.0° |
| C28 | C29 | H29 | H29A | 119.1° | 120.0° |
| C28 | C29 | C30 | C31 | 141.1° | 180.0° |
| C28 | C29 | C30 | H30 | 98.2° | 60.1° |
| C28 | C29 | C30 | H30A | 20.4° | 60.0° |
| H28 | C28 | C29 | C30 | 134.9° | 60.1° |
| H28 | C28 | C29 | H29 | 104.7° | 180.0° |
| H28 | C28 | C29 | H29A | 14.6° | 60.0° |
| H28A | C28 | C29 | C30 | 15.1° | 60.0° |
| H28A | C28 | C29 | H29 | 135.4° | 60.0° |
| H28A | C28 | C29 | H29A | 105.2° | 180.0° |
| C30 | C29 | H29 | H29A | 119.0° | 120.0° |
| C29 | C30 | C31 | H30 | 120.7° | 120.0° |
| C29 | C30 | C31 | H30A | 120.7° | 120.0° |
| C29 | C30 | H30 | H30A | 117.8° | 120.0° |
| C29 | C30 | C31 | C32 | 155.3° | 180.0° |
| C29 | C30 | C31 | H31 | 35.8° | 60.0° |
| C29 | C30 | C31 | H31A | 85.1° | 60.0° |
| H29 | C29 | C30 | C31 | 20.7° | 60.0° |
| H29 | C29 | C30 | H30 | 141.5° | 180.0° |
| H29 | C29 | C30 | H30A | 100.0° | 60.0° |
| H29A | C29 | C30 | C31 | 98.6° | 60.0° |
| H29A | C29 | C30 | H30 | 22.1° | 60.0° |
| H29A | C29 | C30 | H30A | 140.7° | 180.0° |
| C31 | C30 | H30 | H30A | 117.8° | 120.0° |
| C30 | C31 | C32 | H31 | 119.6° | 120.0° |
| C30 | C31 | C32 | H31A | 119.6° | 120.0° |
| C30 | C31 | H31 | H31A | 121.3° | 120.0° |
| C30 | C31 | C32 | C33 | 178.4° | 180.0° |
| C30 | C31 | C32 | H32 | 57.8° | 59.9° |
| C30 | C31 | C32 | H32A | 60.9° | 59.9° |
| H30 | C30 | C31 | C32 | 83.9° | 60.0° |
| H30 | C30 | C31 | H31 | 156.5° | 180.0° |
| H30 | C30 | C31 | H31A | 35.6° | 59.9° |
| H30A | C30 | C31 | C32 | 34.6° | 60.0° |
| H30A | C30 | C31 | H31 | 84.9° | 60.0° |
| H30A | C30 | C31 | H31A | 154.2° | 180.0° |
| C32 | C31 | H31 | H31A | 121.3° | 120.0° |
| C31 | C32 | C33 | H32 | 120.7° | 120.0° |
| C31 | C32 | C33 | H32A | 120.7° | 120.0° |
| C31 | C32 | H32 | H32A | 117.9° | 119.9° |
| C31 | C32 | C33 | C34 | 177.4° | 180.0° |
| C31 | C32 | C33 | H33 | 57.5° | 60.0° |
| C31 | C32 | C33 | H33A | 62.8° | 60.0° |
| H31 | C31 | C32 | C33 | 62.0° | 60.0° |
| H31 | C31 | C32 | H32 | 177.3° | 179.9° |
| H31 | C31 | C32 | H32A | 58.7° | 60.1° |
| H31A | C31 | C32 | C33 | 58.8° | 60.0° |
| H31A | C31 | C32 | H32 | 61.8° | 60.0° |
| H31A | C31 | C32 | H32A | 179.5° | 179.9° |
| C33 | C32 | H32 | H32A | 118.0° | 120.1° |
| C32 | C33 | C34 | H33 | 119.9° | 120.0° |
| C32 | C33 | C34 | H33A | 119.8° | 120.0° |
| C32 | C33 | H33 | H33A | 120.5° | 120.1° |
| C32 | C33 | C34 | C35 | 171.5° | 180.0° |
| C32 | C33 | C34 | H34 | 68.2° | 60.0° |
| C32 | C33 | C34 | H34A | 51.3° | 60.0° |
| H32 | C32 | C33 | C34 | 61.9° | 60.0° |
| H32 | C32 | C33 | H33 | 178.2° | 180.0° |
| H32 | C32 | C33 | H33A | 57.9° | 60.0° |
| H32A | C32 | C33 | C34 | 56.7° | 60.0° |
| H32A | C32 | C33 | H33 | 63.1° | 60.0° |
| H32A | C32 | C33 | H33A | 176.6° | 179.9° |
| C34 | C33 | H33 | H33A | 120.5° | 119.9° |
| C33 | C34 | C35 | H34 | 120.3° | 120.0° |
| C33 | C34 | C35 | H34A | 120.3° | 120.0° |
| C33 | C34 | H34 | H34A | 119.2° | 120.0° |
| C33 | C34 | C35 | C36 | 85.2° | 180.0° |
| C33 | C34 | C35 | H35 | 34.8° | 60.0° |
| C33 | C34 | C35 | H35A | 154.9° | 60.0° |
| H33 | C33 | C34 | C35 | 51.7° | 60.0° |
| H33 | C33 | C34 | H34 | 172.0° | 180.0° |
| H33 | C33 | C34 | H34A | 68.6° | 60.0° |
| H33A | C33 | C34 | C35 | 68.6° | 60.0° |
| H33A | C33 | C34 | H34 | 51.7° | 60.0° |
| H33A | C33 | C34 | H34A | 171.1° | 180.0° |
| C35 | C34 | H34 | H34A | 119.2° | 120.0° |
| C34 | C35 | C36 | H35 | 119.9° | 120.0° |
| C34 | C35 | C36 | H35A | 119.9° | 119.9° |
| C34 | C35 | H35 | H35A | 120.2° | 120.0° |
| C34 | C35 | C36 | H36 | 180.0° | 180.0° |
| C34 | C35 | C36 | H36A | 60.0° | 60.0° |
| C34 | C35 | C36 | H36B | 60.0° | 60.1° |
| H34 | C34 | C35 | C36 | 154.6° | 60.0° |
| H34 | C34 | C35 | H35 | 85.5° | NaN° |
| H34 | C34 | C35 | H35A | 34.6° | 60.0° |
| H34A | C34 | C35 | C36 | 35.1° | 60.0° |
| H34A | C34 | C35 | H35 | 155.0° | 60.0° |
| H34A | C34 | C35 | H35A | 84.8° | 180.0° |
| C36 | C35 | H35 | H35A | 120.2° | 120.0° |
| C35 | C36 | H36 | H36A | 120.0° | 120.1° |
| C35 | C36 | H36 | H36B | 120.0° | 120.0° |
| C35 | C36 | H36A | H36B | 120.0° | 120.0° |
| H35 | C35 | C36 | H36 | 60.1° | 60.0° |
| H35 | C35 | C36 | H36A | 180.0° | 180.0° |
| H35 | C35 | C36 | H36B | 60.0° | 60.0° |
| H35A | C35 | C36 | H36 | 60.1° | 60.1° |
| H35A | C35 | C36 | H36A | 59.9° | 60.0° |
| H35A | C35 | C36 | H36B | 179.9° | 180.0° |
| H36 | C36 | H36A | H36B | 120.0° | 119.9° |
| O37 | C38 | O47 | C39 | 177.3° | 179.9° |
| O37 | C38 | C39 | C40 | 138.9° | 180.0° |
| O37 | C38 | C39 | H39 | 18.2° | 60.0° |
| O37 | C38 | C39 | H39A | 100.3° | 60.0° |
| O47 | C38 | C39 | C40 | 44.2° | 0.0° |
| O47 | C38 | C39 | H39 | 164.9° | 120.0° |
| O47 | C38 | C39 | H39A | 76.6° | 120.1° |
| C38 | C39 | C40 | H39 | 120.8° | 120.0° |
| C38 | C39 | C40 | H39A | 120.8° | 120.0° |
| C38 | C39 | H39 | H39A | 117.6° | 120.0° |
| C38 | C39 | C40 | C41 | 62.9° | 180.0° |
| C38 | C39 | C40 | H40 | 177.6° | 60.0° |
| C38 | C39 | C40 | H40A | 56.6° | 60.0° |
| C40 | C39 | H39 | H39A | 117.6° | 120.0° |
| C39 | C40 | C41 | H40 | 119.5° | 120.0° |
| C39 | C40 | C41 | H40A | 119.6° | 120.0° |
| C39 | C40 | H40 | H40A | 121.4° | 120.0° |
| C39 | C40 | C41 | C42 | 177.2° | 180.0° |
| C39 | C40 | C41 | H41 | 62.6° | 60.0° |
| C39 | C40 | C41 | H41A | 57.0° | 60.0° |
| H39 | C39 | C40 | C41 | 57.9° | 60.0° |
| H39 | C39 | C40 | H40 | 61.7° | 180.0° |
| H39 | C39 | C40 | H40A | 177.4° | 60.0° |
| H39A | C39 | C40 | C41 | 176.3° | 60.0° |
| H39A | C39 | C40 | H40 | 56.8° | 60.0° |
| H39A | C39 | C40 | H40A | 64.2° | 180.0° |
| C41 | C40 | H40 | H40A | 121.4° | 120.0° |
| C40 | C41 | C42 | H41 | 120.2° | 120.0° |
| C40 | C41 | C42 | H41A | 120.2° | 120.0° |
| C40 | C41 | H41 | H41A | 119.4° | 120.0° |
| C40 | C41 | C42 | C43 | 148.9° | 180.0° |
| C40 | C41 | C42 | H42 | 90.9° | 60.0° |
| C40 | C41 | C42 | H42A | 28.8° | 60.1° |
| H40 | C40 | C41 | C42 | 57.6° | 60.0° |
| H40 | C40 | C41 | H41 | 177.8° | 180.0° |
| H40 | C40 | C41 | H41A | 62.5° | 60.0° |
| H40A | C40 | C41 | C42 | 63.3° | 60.0° |
| H40A | C40 | C41 | H41 | 56.9° | 60.0° |
| H40A | C40 | C41 | H41A | 176.6° | 180.0° |
| C42 | C41 | H41 | H41A | 119.4° | 119.9° |
| C41 | C42 | C43 | H42 | 120.1° | 120.0° |
| C41 | C42 | C43 | H42A | 120.1° | 120.0° |
| C41 | C42 | H42 | H42A | 119.6° | 120.0° |
| C41 | C42 | C43 | C44 | 100.9° | 180.0° |
| C41 | C42 | C43 | H43 | 139.0° | 60.0° |
| C41 | C42 | C43 | H43A | 19.3° | 60.0° |
| H41 | C41 | C42 | C43 | 28.8° | 60.0° |
| H41 | C41 | C42 | H42 | 148.9° | 180.0° |
| H41 | C41 | C42 | H42A | 91.4° | 60.0° |
| H41A | C41 | C42 | C43 | 90.9° | 60.0° |
| H41A | C41 | C42 | H42 | 29.3° | 60.0° |
| H41A | C41 | C42 | H42A | 149.0° | 179.9° |
| C43 | C42 | H42 | H42A | 119.6° | 119.9° |
| C42 | C43 | C44 | H43 | 120.1° | 120.0° |
| C42 | C43 | C44 | H43A | 120.1° | 120.0° |
| C42 | C43 | H43 | H43A | 119.5° | 120.0° |
| C42 | C43 | C44 | C45 | 48.0° | 180.0° |
| C42 | C43 | C44 | H44 | 71.5° | 60.0° |
| C42 | C43 | C44 | H44A | 167.6° | 60.0° |
| H42 | C42 | C43 | C44 | 19.3° | 60.0° |
| H42 | C42 | C43 | H43 | 100.8° | 180.0° |
| H42 | C42 | C43 | H43A | 139.4° | 60.0° |
| H42A | C42 | C43 | C44 | 139.0° | 60.0° |
| H42A | C42 | C43 | H43 | 18.9° | 60.0° |
| H42A | C42 | C43 | H43A | 100.8° | 180.0° |
| C44 | C43 | H43 | H43A | 119.6° | 120.0° |
| C43 | C44 | C45 | H44 | 119.5° | 120.0° |
| C43 | C44 | C45 | H44A | 119.6° | 120.0° |
| C43 | C44 | H44 | H44A | 121.3° | 120.1° |
| C43 | C44 | C45 | C46 | 114.5° | 180.0° |
| C43 | C44 | C45 | H45 | 125.1° | 60.1° |
| C43 | C44 | C45 | H45A | 5.9° | 60.0° |
| H43 | C43 | C44 | C45 | 168.1° | 60.0° |
| H43 | C43 | C44 | H44 | 48.6° | 180.0° |
| H43 | C43 | C44 | H44A | 72.3° | 60.0° |
| H43A | C43 | C44 | C45 | 72.1° | 60.0° |
| H43A | C43 | C44 | H44 | 168.4° | 60.0° |
| H43A | C43 | C44 | H44A | 47.5° | 180.0° |
| C45 | C44 | H44 | H44A | 121.3° | 120.0° |
| C44 | C45 | C46 | H45 | 120.4° | 120.0° |
| C44 | C45 | C46 | H45A | 120.4° | 120.1° |
| C44 | C45 | H45 | H45A | 118.9° | 120.1° |
| C44 | C45 | C46 | C48 | 147.4° | 180.0° |
| C44 | C45 | C46 | H46 | 91.5° | 60.1° |
| C44 | C45 | C46 | H46A | 26.2° | 60.0° |
| H44 | C44 | C45 | C46 | 5.1° | 60.0° |
| H44 | C44 | C45 | H45 | 115.3° | 180.0° |
| H44 | C44 | C45 | H45A | 125.4° | 60.0° |
| H44A | C44 | C45 | C46 | 126.0° | 60.0° |
| H44A | C44 | C45 | H45 | 5.6° | 60.0° |
| H44A | C44 | C45 | H45A | 113.7° | 180.0° |
| C46 | C45 | H45 | H45A | 118.8° | 120.0° |
| C45 | C46 | C48 | H46 | 121.1° | 120.0° |
| C45 | C46 | C48 | H46A | 121.2° | 120.0° |
| C45 | C46 | H46 | H46A | 116.4° | 120.0° |
| C45 | C46 | C48 | C49 | 106.7° | 180.0° |
| C45 | C46 | C48 | H48 | 131.6° | 60.0° |
| C45 | C46 | C48 | H48A | 15.0° | 60.0° |
| H45 | C45 | C46 | C48 | 27.0° | 60.0° |
| H45 | C45 | C46 | H46 | 148.1° | 180.0° |
| H45 | C45 | C46 | H46A | 94.2° | 60.0° |
| H45A | C45 | C46 | C48 | 92.3° | 60.0° |
| H45A | C45 | C46 | H46 | 28.9° | 60.0° |
| H45A | C45 | C46 | H46A | 146.6° | 179.9° |
| C48 | C46 | H46 | H46A | 116.4° | 120.0° |
| C46 | C48 | C49 | H48 | 121.7° | 120.0° |
| C46 | C48 | C49 | H48A | 121.7° | 120.0° |
| C46 | C48 | H48 | H48A | 114.4° | 120.0° |
| C46 | C48 | C49 | C50 | 24.0° | 180.0° |
| C46 | C48 | C49 | H49 | 144.6° | 60.0° |
| C46 | C48 | C49 | H49A | 96.6° | 60.0° |
| H46 | C46 | C48 | C49 | 14.4° | 60.0° |
| H46 | C46 | C48 | H48 | 107.3° | 180.0° |
| H46 | C46 | C48 | H48A | 136.1° | 60.0° |
| H46A | C46 | C48 | C49 | 132.1° | 60.0° |
| H46A | C46 | C48 | H48 | 10.4° | 59.9° |
| H46A | C46 | C48 | H48A | 106.2° | 180.0° |
| C49 | C48 | H48 | H48A | 114.5° | 120.1° |
| C48 | C49 | C50 | H49 | 120.6° | 120.0° |
| C48 | C49 | C50 | H49A | 120.6° | 120.0° |
| C48 | C49 | H49 | H49A | 118.2° | 120.0° |
| C48 | C49 | C50 | C51 | 82.6° | 180.0° |
| C48 | C49 | C50 | H50 | 157.3° | 60.1° |
| C48 | C49 | C50 | H50A | 37.4° | 60.0° |
| H48 | C48 | C49 | C50 | 97.7° | 60.1° |
| H48 | C48 | C49 | H49 | 22.9° | 180.0° |
| H48 | C48 | C49 | H49A | 141.7° | 60.0° |
| H48A | C48 | C49 | C50 | 145.7° | 60.0° |
| H48A | C48 | C49 | H49 | 93.7° | 60.0° |
| H48A | C48 | C49 | H49A | 25.1° | 179.9° |
| C50 | C49 | H49 | H49A | 118.3° | 120.0° |
| C49 | C50 | C51 | H50 | 120.0° | 120.0° |
| C49 | C50 | C51 | H50A | 120.0° | 120.0° |
| C49 | C50 | H50 | H50A | 119.8° | 120.1° |
| C49 | C50 | C51 | C52 | 156.6° | 180.0° |
| C49 | C50 | C51 | H51 | 83.1° | 60.0° |
| C49 | C50 | C51 | H51A | 36.2° | 59.9° |
| H49 | C49 | C50 | C51 | 38.0° | 60.0° |
| H49 | C49 | C50 | H50 | 82.1° | 180.0° |
| H49 | C49 | C50 | H50A | 158.0° | 60.0° |
| H49A | C49 | C50 | C51 | 156.8° | 60.0° |
| H49A | C49 | C50 | H50 | 36.8° | 60.0° |
| H49A | C49 | C50 | H50A | 83.1° | 179.9° |
| C51 | C50 | H50 | H50A | 119.9° | 120.0° |
| C50 | C51 | C52 | H51 | 120.4° | 120.0° |
| C50 | C51 | C52 | H51A | 120.4° | 120.0° |
| C50 | C51 | H51 | H51A | 118.9° | 120.0° |
| C50 | C51 | C52 | C53 | 66.2° | 180.0° |
| C50 | C51 | C52 | H52 | 173.5° | 60.0° |
| C50 | C51 | C52 | H52A | 54.0° | 60.0° |
| H50 | C50 | C51 | C52 | 36.5° | 60.0° |
| H50 | C50 | C51 | H51 | 156.9° | 180.0° |
| H50 | C50 | C51 | H51A | 83.8° | 60.0° |
| H50A | C50 | C51 | C52 | 83.4° | 60.0° |
| H50A | C50 | C51 | H51 | 37.0° | 60.0° |
| H50A | C50 | C51 | H51A | 156.2° | 179.9° |
| C52 | C51 | H51 | H51A | 118.9° | 120.0° |
| C51 | C52 | C53 | H52 | 120.2° | 120.0° |
| C51 | C52 | C53 | H52A | 120.2° | 120.0° |
| C51 | C52 | H52 | H52A | 119.3° | 120.0° |
| C51 | C52 | C53 | C54 | 166.9° | 180.0° |
| C51 | C52 | C53 | H53 | 72.9° | 60.0° |
| C51 | C52 | C53 | H53A | 46.6° | 60.0° |
| H51 | C51 | C52 | C53 | 54.1° | 60.0° |
| H51 | C51 | C52 | H52 | 66.1° | 180.0° |
| H51 | C51 | C52 | H52A | 174.4° | 60.0° |
| H51A | C51 | C52 | C53 | 173.4° | 60.0° |
| H51A | C51 | C52 | H52 | 53.1° | 60.0° |
| H51A | C51 | C52 | H52A | 66.4° | 180.0° |
| C53 | C52 | H52 | H52A | 119.3° | 120.1° |
| C52 | C53 | C54 | H53 | 120.2° | 120.0° |
| C52 | C53 | C54 | H53A | 120.3° | 120.0° |
| C52 | C53 | H53 | H53A | 119.2° | 120.0° |
| C52 | C53 | C54 | C55 | 170.4° | 180.0° |
| C52 | C53 | C54 | H54 | 69.4° | 60.1° |
| C52 | C53 | C54 | H54A | 50.3° | 60.0° |
| H52 | C52 | C53 | C54 | 46.6° | 60.0° |
| H52 | C52 | C53 | H53 | 166.9° | NaN° |
| H52 | C52 | C53 | H53A | 73.7° | 60.0° |
| H52A | C52 | C53 | C54 | 72.9° | 60.0° |
| H52A | C52 | C53 | H53 | 47.3° | 60.0° |
| H52A | C52 | C53 | H53A | 166.8° | 179.9° |
| C54 | C53 | H53 | H53A | 119.2° | 120.0° |
| C53 | C54 | C55 | H54 | 120.2° | 120.0° |
| C53 | C54 | C55 | H54A | 120.2° | 120.0° |
| C53 | C54 | H54 | H54A | 119.4° | 120.0° |
| C53 | C54 | C55 | C56 | 164.9° | 180.0° |
| C53 | C54 | C55 | H55 | 44.6° | 60.0° |
| C53 | C54 | C55 | H55A | 74.7° | 60.0° |
| H53 | C53 | C54 | C55 | 50.2° | 60.0° |
| H53 | C53 | C54 | H54 | 170.4° | 180.0° |
| H53 | C53 | C54 | H54A | 70.0° | 60.0° |
| H53A | C53 | C54 | C55 | 69.3° | 60.0° |
| H53A | C53 | C54 | H54 | 50.9° | 60.0° |
| H53A | C53 | C54 | H54A | 170.5° | 179.9° |
| C55 | C54 | H54 | H54A | 119.4° | 120.0° |
| C54 | C55 | C56 | H55 | 120.4° | 120.0° |
| C54 | C55 | C56 | H55A | 120.4° | 120.0° |
| C54 | C55 | H55 | H55A | 118.8° | 120.0° |
| C54 | C55 | C56 | H56 | 180.0° | 180.0° |
| C54 | C55 | C56 | H56A | 60.0° | 60.0° |
| C54 | C55 | C56 | H56B | 60.0° | 60.0° |
| H54 | C54 | C55 | C56 | 74.9° | 60.0° |
| H54 | C54 | C55 | H55 | 164.8° | 180.0° |
| H54 | C54 | C55 | H55A | 45.5° | 60.0° |
| H54A | C54 | C55 | C56 | 44.7° | 60.0° |
| H54A | C54 | C55 | H55 | 75.6° | 60.0° |
| H54A | C54 | C55 | H55A | 165.1° | 180.0° |
| C56 | C55 | H55 | H55A | 118.8° | 120.0° |
| C55 | C56 | H56 | H56A | 120.0° | 120.0° |
| C55 | C56 | H56 | H56B | 120.0° | 120.0° |
| C55 | C56 | H56A | H56B | 120.0° | 120.0° |
| H55 | C55 | C56 | H56 | 59.6° | 60.0° |
| H55 | C55 | C56 | H56A | 179.6° | 180.0° |
| H55 | C55 | C56 | H56B | 60.4° | 60.0° |
| H55A | C55 | C56 | H56 | 59.6° | 60.1° |
| H55A | C55 | C56 | H56A | 60.4° | 60.0° |
| H55A | C55 | C56 | H56B | 179.6° | 179.9° |
| H56 | C56 | H56A | H56B | 120.0° | 120.0° |
