PS6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P | O2 | sing | 1.61Å | 1.59Å | |
| O2 | C2 | sing | 1.43Å | 1.43Å | |
| CB | O1 | sing | 1.43Å | 1.44Å | |
| O1 | P | sing | 1.61Å | 1.60Å | |
| O4 | P | doub | 1.48Å | 1.47Å | |
| O3 | P | sing | 1.61Å | 1.59Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| C3 | O11 | sing | 1.45Å | 1.43Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | O11 | sing | 1.34Å | 1.36Å | |
| O12 | C1 | doub | 1.21Å | 1.24Å | |
| C13 | C1 | sing | 1.51Å | 1.53Å | |
| C4 | O52 | sing | 1.45Å | 1.45Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| O52 | C5 | sing | 1.34Å | 1.35Å | |
| C5 | O51 | doub | 1.21Å | 1.23Å | |
| C5 | C6 | sing | 1.51Å | 1.52Å | |
| C13 | C14 | sing | 1.53Å | 1.54Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| N | CA | sing | 1.47Å | 1.47Å | |
| N | HN | sing | 1.01Å | 1.00Å | |
| N | HNA | sing | 1.01Å | 1.00Å | |
| CB | CA | sing | 1.53Å | 1.53Å | |
| CA | C | sing | 1.51Å | 1.53Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CB | HBA | sing | 1.09Å | 1.10Å | |
| OXT | C | doub | 1.21Å | 1.25Å | |
| C | O | sing | 1.34Å | 1.26Å | |
| O | HO | sing | 0.97Å | 0.95Å | |
| C17 | C16 | sing | 1.53Å | 1.55Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C17 | H17B | sing | 1.09Å | 1.10Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C7 | C8 | sing | 1.53Å | 1.52Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C9 | C10 | sing | 1.53Å | 1.52Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| C10 | C18 | sing | 1.53Å | 1.53Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C19 | C20 | sing | 1.53Å | 1.52Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| C25 | H25B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| P | O2 | C2 | 125.0° | 123.0° |
| O2 | P | O1 | 106.3° | 109.4° |
| O2 | P | O4 | 113.2° | 109.5° |
| O2 | P | O3 | 107.2° | 109.5° |
| O2 | C2 | C3 | 110.7° | 109.5° |
| O2 | C2 | H2 | 109.1° | 109.5° |
| O2 | C2 | H2A | 108.8° | 109.5° |
| CB | O1 | P | 122.3° | 123.0° |
| O1 | CB | CA | 112.7° | 109.5° |
| O1 | CB | HB | 108.4° | 109.4° |
| O1 | CB | HBA | 107.7° | 109.5° |
| O1 | P | O4 | 111.4° | 109.5° |
| O1 | P | O3 | 106.0° | 109.5° |
| O4 | P | O3 | 112.2° | 109.5° |
| P | O3 | HO3 | 109.5° | 114.0° |
| C3 | C2 | H2 | 109.1° | 109.5° |
| C3 | C2 | H2A | 108.8° | 109.4° |
| C2 | C3 | O11 | 112.5° | 109.4° |
| C2 | C3 | C4 | 113.6° | 109.5° |
| C2 | C3 | H3 | 103.0° | 109.5° |
| H2 | C2 | H2A | 110.4° | 109.4° |
| O11 | C3 | C4 | 104.3° | 109.5° |
| O11 | C3 | H3 | 112.5° | 109.4° |
| C3 | O11 | C1 | 112.6° | 117.0° |
| C4 | C3 | H3 | 111.3° | 109.5° |
| C3 | C4 | O52 | 103.5° | 109.5° |
| C3 | C4 | H4 | 111.6° | 109.5° |
| C3 | C4 | H4A | 112.8° | 109.5° |
| O11 | C1 | O12 | 121.1° | 120.0° |
| O11 | C1 | C13 | 116.8° | 120.0° |
| O12 | C1 | C13 | 122.0° | 120.0° |
| C1 | C13 | C14 | 110.3° | 109.5° |
| C1 | C13 | H13 | 109.2° | 109.5° |
| C1 | C13 | H13A | 109.0° | 109.4° |
| O52 | C4 | H4 | 111.5° | 109.4° |
| O52 | C4 | H4A | 112.8° | 109.5° |
| C4 | O52 | C5 | 111.2° | 117.0° |
| H4 | C4 | H4A | 104.9° | 109.4° |
| O52 | C5 | O51 | 117.7° | 120.0° |
| O52 | C5 | C6 | 120.0° | 120.0° |
| O51 | C5 | C6 | 122.4° | 120.0° |
| C5 | C6 | C7 | 111.6° | 109.5° |
| C5 | C6 | H6 | 108.8° | 109.5° |
| C5 | C6 | H6A | 108.3° | 109.5° |
| C14 | C13 | H13 | 109.2° | 109.5° |
| C14 | C13 | H13A | 109.0° | 109.4° |
| C13 | C14 | C15 | 110.2° | 109.5° |
| C13 | C14 | H14 | 109.2° | 109.5° |
| C13 | C14 | H14A | 109.1° | 109.4° |
| H13 | C13 | H13A | 110.1° | 109.5° |
| C15 | C14 | H14 | 109.2° | 109.4° |
| C15 | C14 | H14A | 109.1° | 109.5° |
| C14 | C15 | C16 | 111.3° | 109.5° |
| C14 | C15 | H15 | 108.9° | 109.5° |
| C14 | C15 | H15A | 108.5° | 109.5° |
| H14 | C14 | H14A | 110.0° | 109.5° |
| C16 | C15 | H15 | 108.9° | 109.4° |
| C16 | C15 | H15A | 108.5° | 109.5° |
| C15 | C16 | C17 | 110.0° | 109.5° |
| C15 | C16 | H16 | 109.3° | 109.4° |
| C15 | C16 | H16A | 109.2° | 109.5° |
| H15 | C15 | H15A | 110.9° | 109.5° |
| CA | N | HN | 109.5° | 111.0° |
| CA | N | HNA | 109.4° | 111.0° |
| N | CA | CB | 110.3° | 109.4° |
| N | CA | C | 110.2° | 109.5° |
| N | CA | HA | 109.1° | 109.4° |
| HN | N | HNA | 109.5° | 111.0° |
| CB | CA | C | 111.5° | 109.5° |
| CB | CA | HA | 107.8° | 109.5° |
| CA | CB | HB | 108.4° | 109.5° |
| CA | CB | HBA | 107.6° | 109.5° |
| C | CA | HA | 107.9° | 109.5° |
| CA | C | OXT | 117.4° | 120.0° |
| CA | C | O | 117.3° | 120.0° |
| HB | CB | HBA | 112.0° | 109.5° |
| OXT | C | O | 125.3° | 120.0° |
| C | O | HO | 109.5° | 117.0° |
| C17 | C16 | H16 | 109.3° | 109.5° |
| C17 | C16 | H16A | 109.2° | 109.5° |
| C16 | C17 | H17 | 109.5° | 109.5° |
| C16 | C17 | H17A | 109.4° | 109.5° |
| C16 | C17 | H17B | 109.5° | 109.5° |
| H16 | C16 | H16A | 109.9° | 109.4° |
| H17 | C17 | H17A | 109.5° | 109.5° |
| H17 | C17 | H17B | 109.4° | 109.5° |
| H17A | C17 | H17B | 109.5° | 109.4° |
| C7 | C6 | H6 | 108.8° | 109.5° |
| C7 | C6 | H6A | 108.3° | 109.4° |
| C6 | C7 | C8 | 111.5° | 109.5° |
| C6 | C7 | H7 | 108.8° | 109.5° |
| C6 | C7 | H7A | 108.4° | 109.4° |
| H6 | C6 | H6A | 111.1° | 109.5° |
| C8 | C7 | H7 | 108.8° | 109.5° |
| C8 | C7 | H7A | 108.3° | 109.5° |
| C7 | C8 | C9 | 113.5° | 109.5° |
| C7 | C8 | H8 | 108.1° | 109.5° |
| C7 | C8 | H8A | 107.3° | 109.4° |
| H7 | C7 | H7A | 111.0° | 109.5° |
| C9 | C8 | H8 | 108.1° | 109.5° |
| C9 | C8 | H8A | 107.2° | 109.5° |
| C8 | C9 | C10 | 112.3° | 109.4° |
| C8 | C9 | H9 | 108.6° | 109.5° |
| C8 | C9 | H9A | 107.9° | 109.4° |
| H8 | C8 | H8A | 112.7° | 109.5° |
| C10 | C9 | H9 | 108.5° | 109.5° |
| C10 | C9 | H9A | 107.9° | 109.5° |
| C9 | C10 | C18 | 112.7° | 109.4° |
| C9 | C10 | H10 | 108.4° | 109.5° |
| C9 | C10 | H10A | 107.7° | 109.5° |
| H9 | C9 | H9A | 111.7° | 109.5° |
| C18 | C10 | H10 | 108.4° | 109.5° |
| C18 | C10 | H10A | 107.7° | 109.4° |
| C10 | C18 | C19 | 109.3° | 109.5° |
| C10 | C18 | H18 | 109.6° | 109.5° |
| C10 | C18 | H18A | 109.6° | 109.5° |
| H10 | C10 | H10A | 112.0° | 109.5° |
| C19 | C18 | H18 | 109.5° | 109.5° |
| C19 | C18 | H18A | 109.6° | 109.4° |
| C18 | C19 | C20 | 112.0° | 109.5° |
| C18 | C19 | H19 | 108.6° | 109.5° |
| C18 | C19 | H19A | 108.0° | 109.5° |
| H18 | C18 | H18A | 109.3° | 109.5° |
| C20 | C19 | H19 | 108.6° | 109.5° |
| C20 | C19 | H19A | 108.1° | 109.5° |
| C19 | C20 | C21 | 111.8° | 109.5° |
| C19 | C20 | H20 | 108.7° | 109.5° |
| C19 | C20 | H20A | 108.2° | 109.5° |
| H19 | C19 | H19A | 111.5° | 109.5° |
| C21 | C20 | H20 | 108.7° | 109.4° |
| C21 | C20 | H20A | 108.2° | 109.5° |
| C20 | C21 | C22 | 111.1° | 109.5° |
| C20 | C21 | H21 | 108.9° | 109.4° |
| C20 | C21 | H21A | 108.6° | 109.5° |
| H20 | C20 | H20A | 111.3° | 109.5° |
| C22 | C21 | H21 | 108.9° | 109.5° |
| C22 | C21 | H21A | 108.5° | 109.5° |
| C21 | C22 | C23 | 112.9° | 109.5° |
| C21 | C22 | H22 | 108.4° | 109.4° |
| C21 | C22 | H22A | 107.6° | 109.5° |
| H21 | C21 | H21A | 110.8° | 109.5° |
| C23 | C22 | H22 | 108.4° | 109.5° |
| C23 | C22 | H22A | 107.6° | 109.5° |
| C22 | C23 | C24 | 111.2° | 109.5° |
| C22 | C23 | H23 | 108.9° | 109.5° |
| C22 | C23 | H23A | 108.5° | 109.5° |
| H22 | C22 | H22A | 112.1° | 109.5° |
| C24 | C23 | H23 | 108.9° | 109.4° |
| C24 | C23 | H23A | 108.5° | 109.5° |
| C23 | C24 | C25 | 112.7° | 109.5° |
| C23 | C24 | H24 | 108.4° | 109.4° |
| C23 | C24 | H24A | 107.7° | 109.5° |
| H23 | C23 | H23A | 110.9° | 109.5° |
| C25 | C24 | H24 | 108.4° | 109.5° |
| C25 | C24 | H24A | 107.7° | 109.5° |
| C24 | C25 | H25 | 109.5° | 109.5° |
| C24 | C25 | H25A | 109.5° | 109.5° |
| C24 | C25 | H25B | 109.5° | 109.5° |
| H24 | C24 | H24A | 112.0° | 109.5° |
| H25 | C25 | H25A | 109.4° | 109.4° |
| H25 | C25 | H25B | 109.5° | 109.5° |
| H25A | C25 | H25B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | P | O1 | CB | 116.4° | 175.0° |
| O2 | P | O1 | O4 | 123.8° | 120.0° |
| O2 | P | O1 | O3 | 113.9° | 120.0° |
| O2 | P | O4 | O3 | 121.6° | 120.0° |
| O2 | P | O3 | HO3 | 4.2° | 60.0° |
| P | O2 | C2 | C3 | 147.4° | 180.0° |
| P | O2 | C2 | H2 | 27.4° | 60.0° |
| P | O2 | C2 | H2A | 93.1° | 60.0° |
| C2 | O2 | P | O1 | 145.1° | 175.0° |
| C2 | O2 | P | O4 | 92.3° | 55.0° |
| C2 | O2 | P | O3 | 32.1° | 65.0° |
| O2 | C2 | C3 | H2 | 120.0° | 120.1° |
| O2 | C2 | C3 | H2A | 119.5° | 120.0° |
| O2 | C2 | H2 | H2A | 119.5° | 120.0° |
| O2 | C2 | C3 | O11 | 97.7° | 65.0° |
| O2 | C2 | C3 | C4 | 144.1° | 175.0° |
| O2 | C2 | C3 | H3 | 23.6° | 54.9° |
| CB | O1 | P | O4 | 7.4° | 55.1° |
| CB | O1 | P | O3 | 129.7° | 65.0° |
| O1 | CB | CA | N | 138.4° | 65.0° |
| O1 | CB | CA | HB | 120.0° | 120.0° |
| O1 | CB | CA | HBA | 118.6° | 120.0° |
| O1 | CB | CA | C | 98.9° | 175.0° |
| O1 | CB | CA | HA | 19.3° | 55.0° |
| O1 | CB | HB | HBA | 118.7° | 120.0° |
| O1 | P | O4 | O3 | 118.7° | 120.1° |
| O1 | P | O3 | HO3 | 109.1° | 60.0° |
| P | O1 | CB | CA | 75.6° | 179.9° |
| P | O1 | CB | HB | 44.4° | 60.0° |
| P | O1 | CB | HBA | 165.8° | 59.9° |
| O4 | P | O3 | HO3 | 129.1° | 180.0° |
| C3 | C2 | H2 | H2A | 119.5° | 119.9° |
| C2 | C3 | O11 | C4 | 123.5° | 120.0° |
| C2 | C3 | O11 | H3 | 115.7° | 120.0° |
| C2 | C3 | C4 | H3 | 115.7° | 120.0° |
| C2 | C3 | O11 | C1 | 47.5° | 90.0° |
| C2 | C3 | C4 | O52 | 163.4° | 175.0° |
| C2 | C3 | C4 | H4 | 43.4° | 65.0° |
| C2 | C3 | C4 | H4A | 74.4° | 55.0° |
| H2 | C2 | C3 | O11 | 22.3° | 55.1° |
| H2 | C2 | C3 | C4 | 95.9° | 64.9° |
| H2 | C2 | C3 | H3 | 143.6° | 175.0° |
| H2A | C2 | C3 | O11 | 142.9° | 175.0° |
| H2A | C2 | C3 | C4 | 24.6° | 55.0° |
| H2A | C2 | C3 | H3 | 95.9° | 65.1° |
| O11 | C3 | C4 | H3 | 121.5° | 120.0° |
| C3 | O11 | C1 | O12 | 72.7° | 0.1° |
| C3 | O11 | C1 | C13 | 108.4° | 180.0° |
| O11 | C3 | C4 | O52 | 40.6° | 65.0° |
| O11 | C3 | C4 | H4 | 79.5° | 55.0° |
| O11 | C3 | C4 | H4A | 162.8° | 174.9° |
| C4 | C3 | O11 | C1 | 171.0° | 150.0° |
| C3 | C4 | O52 | H4 | 120.0° | 120.0° |
| C3 | C4 | O52 | H4A | 122.2° | 120.1° |
| C3 | C4 | H4 | H4A | 122.4° | 120.0° |
| C3 | C4 | O52 | C5 | 177.3° | 180.0° |
| H3 | C3 | O11 | C1 | 68.2° | 30.0° |
| H3 | C3 | C4 | O52 | 81.0° | 55.0° |
| H3 | C3 | C4 | H4 | 159.0° | 175.0° |
| H3 | C3 | C4 | H4A | 41.2° | 65.1° |
| O11 | C1 | O12 | C13 | 178.8° | 179.9° |
| O11 | C1 | C13 | C14 | 6.8° | 180.0° |
| O11 | C1 | C13 | H13 | 113.2° | 60.0° |
| O11 | C1 | C13 | H13A | 126.4° | 60.0° |
| O12 | C1 | C13 | C14 | 174.4° | 0.1° |
| O12 | C1 | C13 | H13 | 65.6° | 119.9° |
| O12 | C1 | C13 | H13A | 54.8° | 120.1° |
| C1 | C13 | C14 | H13 | 120.0° | 120.0° |
| C1 | C13 | C14 | H13A | 119.6° | 119.9° |
| C1 | C13 | H13 | H13A | 119.6° | 120.0° |
| C1 | C13 | C14 | C15 | 146.7° | 180.0° |
| C1 | C13 | C14 | H14 | 26.7° | 60.0° |
| C1 | C13 | C14 | H14A | 93.6° | 60.1° |
| O52 | C4 | H4 | H4A | 122.4° | 120.0° |
| C4 | O52 | C5 | O51 | 18.7° | 0.1° |
| C4 | O52 | C5 | C6 | 161.7° | 180.0° |
| H4 | C4 | O52 | C5 | 57.3° | 60.0° |
| H4A | C4 | O52 | C5 | 60.5° | 59.9° |
| O52 | C5 | O51 | C6 | 179.7° | 180.0° |
| O52 | C5 | C6 | C7 | 168.3° | 180.0° |
| O52 | C5 | C6 | H6 | 48.3° | 60.0° |
| O52 | C5 | C6 | H6A | 72.6° | 60.0° |
| O51 | C5 | C6 | C7 | 12.0° | 0.0° |
| O51 | C5 | C6 | H6 | 132.0° | 120.0° |
| O51 | C5 | C6 | H6A | 107.1° | 120.0° |
| C5 | C6 | C7 | H6 | 120.0° | 120.0° |
| C5 | C6 | C7 | H6A | 119.1° | 120.0° |
| C5 | C6 | H6 | H6A | 119.2° | 120.0° |
| C5 | C6 | C7 | C8 | 167.9° | 180.0° |
| C5 | C6 | C7 | H7 | 47.9° | 60.0° |
| C5 | C6 | C7 | H7A | 72.9° | 60.0° |
| C14 | C13 | H13 | H13A | 119.7° | 120.0° |
| C13 | C14 | C15 | H14 | 120.0° | 120.0° |
| C13 | C14 | C15 | H14A | 119.7° | 120.0° |
| C13 | C14 | H14 | H14A | 119.7° | 120.0° |
| C13 | C14 | C15 | C16 | 149.8° | 179.9° |
| C13 | C14 | C15 | H15 | 90.2° | 60.0° |
| C13 | C14 | C15 | H15A | 30.6° | 60.0° |
| H13 | C13 | C14 | C15 | 93.2° | 60.0° |
| H13 | C13 | C14 | H14 | 146.8° | NaN° |
| H13 | C13 | C14 | H14A | 26.5° | 60.0° |
| H13A | C13 | C14 | C15 | 27.1° | 60.0° |
| H13A | C13 | C14 | H14 | 92.9° | 60.0° |
| H13A | C13 | C14 | H14A | 146.8° | 180.0° |
| C15 | C14 | H14 | H14A | 119.7° | 120.0° |
| C14 | C15 | C16 | H15 | 120.0° | 120.0° |
| C14 | C15 | C16 | H15A | 119.2° | 120.1° |
| C14 | C15 | H15 | H15A | 119.3° | 120.0° |
| C14 | C15 | C16 | C17 | 175.6° | 180.0° |
| C14 | C15 | C16 | H16 | 55.6° | 60.0° |
| C14 | C15 | C16 | H16A | 64.6° | 60.0° |
| H14 | C14 | C15 | C16 | 29.8° | 60.0° |
| H14 | C14 | C15 | H15 | 149.8° | 180.0° |
| H14 | C14 | C15 | H15A | 89.4° | 60.0° |
| H14A | C14 | C15 | C16 | 90.5° | 60.0° |
| H14A | C14 | C15 | H15 | 29.5° | 60.0° |
| H14A | C14 | C15 | H15A | 150.3° | 180.0° |
| C16 | C15 | H15 | H15A | 119.3° | 120.0° |
| C15 | C16 | C17 | H16 | 120.0° | 120.0° |
| C15 | C16 | C17 | H16A | 119.8° | 120.0° |
| C15 | C16 | H16 | H16A | 119.8° | 120.0° |
| C15 | C16 | C17 | H17 | 38.9° | 180.0° |
| C15 | C16 | C17 | H17A | 158.9° | 60.0° |
| C15 | C16 | C17 | H17B | 81.1° | 59.9° |
| H15 | C15 | C16 | C17 | 64.4° | 60.0° |
| H15 | C15 | C16 | H16 | 175.6° | 179.9° |
| H15 | C15 | C16 | H16A | 55.4° | 60.0° |
| H15A | C15 | C16 | C17 | 56.3° | 59.9° |
| H15A | C15 | C16 | H16 | 63.7° | 60.1° |
| H15A | C15 | C16 | H16A | 176.1° | 179.9° |
| CA | N | HN | HNA | 120.0° | 123.9° |
| N | CA | CB | C | 122.8° | 120.0° |
| N | CA | CB | HA | 119.0° | 120.0° |
| N | CA | C | HA | 119.0° | 120.0° |
| N | CA | CB | HB | 18.4° | 55.0° |
| N | CA | CB | HBA | 103.0° | 175.0° |
| N | CA | C | OXT | 140.9° | 20.0° |
| N | CA | C | O | 39.3° | 160.0° |
| HN | N | CA | CB | 31.9° | 60.0° |
| HN | N | CA | C | 91.6° | 60.0° |
| HN | N | CA | HA | 150.1° | 180.0° |
| HNA | N | CA | CB | 151.9° | 176.1° |
| HNA | N | CA | C | 28.4° | 63.9° |
| HNA | N | CA | HA | 89.9° | 56.1° |
| CB | CA | C | HA | 118.1° | 120.1° |
| CA | CB | HB | HBA | 118.6° | 120.0° |
| CB | CA | C | OXT | 18.1° | 99.9° |
| CB | CA | C | O | 162.1° | 80.1° |
| C | CA | CB | HB | 141.1° | 65.0° |
| C | CA | CB | HBA | 19.7° | 55.0° |
| CA | C | OXT | O | 179.8° | 180.0° |
| CA | C | O | HO | 179.8° | 180.0° |
| HA | CA | CB | HB | 100.7° | 174.9° |
| HA | CA | CB | HBA | 137.9° | 65.1° |
| HA | CA | C | OXT | 100.0° | 140.0° |
| HA | CA | C | O | 79.8° | 40.0° |
| OXT | C | O | HO | 0.0° | 0.0° |
| C17 | C16 | H16 | H16A | 119.8° | 120.0° |
| C16 | C17 | H17 | H17A | 120.0° | 120.0° |
| C16 | C17 | H17 | H17B | 120.0° | 120.1° |
| C16 | C17 | H17A | H17B | 120.0° | 120.0° |
| H16 | C16 | C17 | H17 | 81.1° | 60.0° |
| H16 | C16 | C17 | H17A | 38.9° | 180.0° |
| H16 | C16 | C17 | H17B | 158.9° | 60.1° |
| H16A | C16 | C17 | H17 | 158.7° | 60.0° |
| H16A | C16 | C17 | H17A | 81.3° | 60.0° |
| H16A | C16 | C17 | H17B | 38.7° | 179.9° |
| H17 | C17 | H17A | H17B | 120.0° | 120.0° |
| C7 | C6 | H6 | H6A | 119.1° | 120.0° |
| C6 | C7 | C8 | H7 | 120.0° | 120.0° |
| C6 | C7 | C8 | H7A | 119.2° | 120.0° |
| C6 | C7 | H7 | H7A | 119.2° | 120.0° |
| C6 | C7 | C8 | C9 | 175.7° | 180.0° |
| C6 | C7 | C8 | H8 | 64.3° | 60.0° |
| C6 | C7 | C8 | H8A | 57.5° | 60.0° |
| H6 | C6 | C7 | C8 | 72.1° | 60.0° |
| H6 | C6 | C7 | H7 | 167.9° | 180.0° |
| H6 | C6 | C7 | H7A | 47.1° | 60.0° |
| H6A | C6 | C7 | C8 | 48.8° | 60.0° |
| H6A | C6 | C7 | H7 | 71.2° | 60.0° |
| H6A | C6 | C7 | H7A | 168.0° | 180.0° |
| C8 | C7 | H7 | H7A | 119.2° | 120.0° |
| C7 | C8 | C9 | H8 | 120.0° | 120.0° |
| C7 | C8 | C9 | H8A | 118.3° | 120.0° |
| C7 | C8 | H8 | H8A | 118.4° | 120.0° |
| C7 | C8 | C9 | C10 | 135.5° | 180.0° |
| C7 | C8 | C9 | H9 | 104.5° | 60.0° |
| C7 | C8 | C9 | H9A | 16.7° | 60.0° |
| H7 | C7 | C8 | C9 | 55.7° | 60.0° |
| H7 | C7 | C8 | H8 | 175.7° | 180.0° |
| H7 | C7 | C8 | H8A | 62.5° | 60.0° |
| H7A | C7 | C8 | C9 | 65.1° | 60.0° |
| H7A | C7 | C8 | H8 | 54.9° | 60.0° |
| H7A | C7 | C8 | H8A | 176.7° | 180.0° |
| C9 | C8 | H8 | H8A | 118.3° | 120.0° |
| C8 | C9 | C10 | H9 | 120.0° | 120.0° |
| C8 | C9 | C10 | H9A | 118.8° | 120.0° |
| C8 | C9 | H9 | H9A | 118.9° | 120.0° |
| C8 | C9 | C10 | C18 | 160.6° | 180.0° |
| C8 | C9 | C10 | H10 | 79.4° | 60.0° |
| C8 | C9 | C10 | H10A | 42.0° | 60.0° |
| H8 | C8 | C9 | C10 | 15.5° | 60.0° |
| H8 | C8 | C9 | H9 | 135.5° | 180.0° |
| H8 | C8 | C9 | H9A | 103.3° | 60.0° |
| H8A | C8 | C9 | C10 | 106.3° | 60.0° |
| H8A | C8 | C9 | H9 | 13.7° | 60.0° |
| H8A | C8 | C9 | H9A | 134.9° | 180.0° |
| C10 | C9 | H9 | H9A | 118.8° | 120.1° |
| C9 | C10 | C18 | H10 | 120.0° | 120.0° |
| C9 | C10 | C18 | H10A | 118.6° | 120.0° |
| C9 | C10 | H10 | H10A | 118.7° | 120.1° |
| C9 | C10 | C18 | C19 | 137.7° | 180.0° |
| C9 | C10 | C18 | H18 | 17.7° | 60.0° |
| C9 | C10 | C18 | H18A | 102.2° | 60.0° |
| H9 | C9 | C10 | C18 | 40.6° | 60.0° |
| H9 | C9 | C10 | H10 | 160.6° | NaN° |
| H9 | C9 | C10 | H10A | 78.0° | 60.0° |
| H9A | C9 | C10 | C18 | 80.6° | 60.0° |
| H9A | C9 | C10 | H10 | 39.4° | 60.0° |
| H9A | C9 | C10 | H10A | 160.8° | 180.0° |
| C18 | C10 | H10 | H10A | 118.7° | 120.0° |
| C10 | C18 | C19 | H18 | 120.0° | 120.0° |
| C10 | C18 | C19 | H18A | 120.1° | 120.0° |
| C10 | C18 | H18 | H18A | 120.1° | 120.0° |
| C10 | C18 | C19 | C20 | 160.0° | 180.0° |
| C10 | C18 | C19 | H19 | 80.0° | 60.0° |
| C10 | C18 | C19 | H19A | 41.1° | 60.0° |
| H10 | C10 | C18 | C19 | 102.2° | 60.0° |
| H10 | C10 | C18 | H18 | 137.7° | 180.0° |
| H10 | C10 | C18 | H18A | 17.8° | 60.0° |
| H10A | C10 | C18 | C19 | 19.1° | 60.0° |
| H10A | C10 | C18 | H18 | 100.9° | 60.0° |
| H10A | C10 | C18 | H18A | 139.2° | 180.0° |
| C19 | C18 | H18 | H18A | 120.1° | 120.0° |
| C18 | C19 | C20 | H19 | 120.0° | 120.0° |
| C18 | C19 | C20 | H19A | 118.9° | 120.0° |
| C18 | C19 | H19 | H19A | 118.9° | 120.0° |
| C18 | C19 | C20 | C21 | 129.2° | 180.0° |
| C18 | C19 | C20 | H20 | 110.9° | 60.0° |
| C18 | C19 | C20 | H20A | 10.1° | 60.0° |
| H18 | C18 | C19 | C20 | 40.0° | 60.0° |
| H18 | C18 | C19 | H19 | 160.0° | 180.0° |
| H18 | C18 | C19 | H19A | 78.9° | 60.0° |
| H18A | C18 | C19 | C20 | 79.9° | 60.0° |
| H18A | C18 | C19 | H19 | 40.0° | 60.0° |
| H18A | C18 | C19 | H19A | 161.1° | 180.0° |
| C20 | C19 | H19 | H19A | 119.0° | 120.0° |
| C19 | C20 | C21 | H20 | 120.0° | 120.0° |
| C19 | C20 | C21 | H20A | 119.0° | 120.0° |
| C19 | C20 | H20 | H20A | 119.0° | 120.0° |
| C19 | C20 | C21 | C22 | 179.0° | 180.0° |
| C19 | C20 | C21 | H21 | 61.0° | 60.0° |
| C19 | C20 | C21 | H21A | 59.7° | 59.9° |
| H19 | C19 | C20 | C21 | 9.2° | 60.0° |
| H19 | C19 | C20 | H20 | 129.2° | 180.0° |
| H19 | C19 | C20 | H20A | 109.8° | 60.0° |
| H19A | C19 | C20 | C21 | 111.9° | 59.9° |
| H19A | C19 | C20 | H20 | 8.0° | 60.0° |
| H19A | C19 | C20 | H20A | 129.0° | 180.0° |
| C21 | C20 | H20 | H20A | 119.1° | 120.0° |
| C20 | C21 | C22 | H21 | 120.0° | 120.0° |
| C20 | C21 | C22 | H21A | 119.3° | 120.0° |
| C20 | C21 | H21 | H21A | 119.3° | 120.0° |
| C20 | C21 | C22 | C23 | 162.6° | 180.0° |
| C20 | C21 | C22 | H22 | 42.5° | 60.0° |
| C20 | C21 | C22 | H22A | 78.9° | 59.9° |
| H20 | C20 | C21 | C22 | 59.0° | 60.0° |
| H20 | C20 | C21 | H21 | 179.0° | NaN° |
| H20 | C20 | C21 | H21A | 60.3° | 60.0° |
| H20A | C20 | C21 | C22 | 62.0° | 60.0° |
| H20A | C20 | C21 | H21 | 58.0° | 60.0° |
| H20A | C20 | C21 | H21A | 178.7° | 180.0° |
| C22 | C21 | H21 | H21A | 119.3° | 120.0° |
| C21 | C22 | C23 | H22 | 120.0° | 119.9° |
| C21 | C22 | C23 | H22A | 118.5° | 120.0° |
| C21 | C22 | H22 | H22A | 118.6° | 120.0° |
| C21 | C22 | C23 | C24 | 147.3° | 180.0° |
| C21 | C22 | C23 | H23 | 27.3° | 60.1° |
| C21 | C22 | C23 | H23A | 93.5° | 60.0° |
| H21 | C21 | C22 | C23 | 77.4° | 60.0° |
| H21 | C21 | C22 | H22 | 162.6° | 180.0° |
| H21 | C21 | C22 | H22A | 41.1° | 60.0° |
| H21A | C21 | C22 | C23 | 43.3° | 60.0° |
| H21A | C21 | C22 | H22 | 76.8° | 60.0° |
| H21A | C21 | C22 | H22A | 161.8° | 180.0° |
| C23 | C22 | H22 | H22A | 118.6° | 120.1° |
| C22 | C23 | C24 | H23 | 120.0° | 120.0° |
| C22 | C23 | C24 | H23A | 119.3° | 120.1° |
| C22 | C23 | H23 | H23A | 119.3° | 120.1° |
| C22 | C23 | C24 | C25 | 141.9° | 180.0° |
| C22 | C23 | C24 | H24 | 98.1° | 60.0° |
| C22 | C23 | C24 | H24A | 23.3° | 59.9° |
| H22 | C22 | C23 | C24 | 92.7° | 60.1° |
| H22 | C22 | C23 | H23 | 147.3° | 180.0° |
| H22 | C22 | C23 | H23A | 26.6° | 60.0° |
| H22A | C22 | C23 | C24 | 28.8° | 60.0° |
| H22A | C22 | C23 | H23 | 91.2° | 60.0° |
| H22A | C22 | C23 | H23A | 148.0° | 180.0° |
| C24 | C23 | H23 | H23A | 119.3° | 119.9° |
| C23 | C24 | C25 | H24 | 120.0° | 119.9° |
| C23 | C24 | C25 | H24A | 118.6° | 120.0° |
| C23 | C24 | H24 | H24A | 118.7° | 119.9° |
| C23 | C24 | C25 | H25 | 70.7° | 180.0° |
| C23 | C24 | C25 | H25A | 49.3° | 60.1° |
| C23 | C24 | C25 | H25B | 169.3° | 60.0° |
| H23 | C23 | C24 | C25 | 21.9° | 60.0° |
| H23 | C23 | C24 | H24 | 141.9° | 180.0° |
| H23 | C23 | C24 | H24A | 96.7° | 60.0° |
| H23A | C23 | C24 | C25 | 98.8° | 59.9° |
| H23A | C23 | C24 | H24 | 21.2° | 60.0° |
| H23A | C23 | C24 | H24A | 142.6° | 180.0° |
| C25 | C24 | H24 | H24A | 118.6° | 120.1° |
| C24 | C25 | H25 | H25A | 120.0° | 120.0° |
| C24 | C25 | H25 | H25B | 120.0° | 120.0° |
| C24 | C25 | H25A | H25B | 120.0° | 120.1° |
| H24 | C24 | C25 | H25 | 169.2° | 60.0° |
| H24 | C24 | C25 | H25A | 70.8° | 180.0° |
| H24 | C24 | C25 | H25B | 49.2° | 60.0° |
| H24A | C24 | C25 | H25 | 47.9° | 60.0° |
| H24A | C24 | C25 | H25A | 167.9° | 60.0° |
| H24A | C24 | C25 | H25B | 72.1° | 180.0° |
| H25 | C25 | H25A | H25B | 120.0° | 120.0° |
