S12
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | CA | sing | 1.51Å | 1.50Å | |
| C | O | doub | 1.21Å | 1.26Å | |
| C | OXT | sing | 1.34Å | 1.43Å | |
| N | CA | sing | 1.47Å | 1.45Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| P | OG | sing | 1.61Å | 1.62Å | |
| P | O2 | sing | 1.61Å | 1.62Å | |
| P | O3 | doub | 1.48Å | 1.51Å | |
| P | O4 | sing | 1.61Å | 1.72Å | |
| OG | CB | sing | 1.43Å | 1.43Å | |
| C2 | O2 | sing | 1.43Å | 1.43Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | H2B | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C3 | O11 | sing | 1.43Å | 1.44Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | O52 | sing | 1.45Å | 1.44Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C5 | C6 | sing | 1.51Å | 1.52Å | |
| C5 | O51 | doub | 1.21Å | 1.22Å | |
| C5 | O52 | sing | 1.34Å | 1.47Å | |
| 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 | 1.35Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| C10 | C11 | sing | 1.53Å | 1.34Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | C12 | sing | 1.53Å | 1.46Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| O11 | HO11 | sing | 0.97Å | 0.95Å | |
| C12 | C13 | sing | 1.51Å | 1.25Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | C14 | doub | 1.31Å | 1.26Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C14 | C15 | sing | 1.51Å | 1.08Å | |
| C15 | C16 | sing | 1.53Å | 1.81Å | |
| C16 | C17 | sing | 1.53Å | 1.54Å | |
| C17 | C18 | sing | 1.53Å | 1.54Å | |
| C18 | C19 | sing | 1.53Å | 1.54Å | |
| C19 | C20 | sing | 1.53Å | 1.54Å | |
| C20 | C21 | sing | 1.53Å | 1.54Å | |
| C21 | C22 | sing | 1.53Å | 1.54Å | |
| O4 | H22 | sing | 0.97Å | 0.95Å | |
| C7 | H23 | sing | 1.09Å | 1.10Å | |
| C8 | H24 | sing | 1.09Å | 1.10Å | |
| C10 | H25 | sing | 1.09Å | 1.10Å | |
| C11 | H26 | sing | 1.09Å | 1.10Å | |
| C12 | H27 | sing | 1.09Å | 1.10Å | |
| C13 | H28 | sing | 1.08Å | 1.08Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| C15 | H30 | sing | 1.09Å | 1.10Å | |
| C15 | H31 | sing | 1.09Å | 1.10Å | |
| C16 | H32 | sing | 1.09Å | 1.10Å | |
| C16 | H33 | sing | 1.09Å | 1.10Å | |
| C17 | H34 | sing | 1.09Å | 1.10Å | |
| C17 | H35 | sing | 1.09Å | 1.10Å | |
| C18 | H36 | sing | 1.09Å | 1.10Å | |
| C18 | H37 | sing | 1.09Å | 1.10Å | |
| C19 | H38 | sing | 1.09Å | 1.10Å | |
| C19 | H39 | sing | 1.09Å | 1.10Å | |
| C20 | H40 | sing | 1.09Å | 1.10Å | |
| C20 | H41 | sing | 1.09Å | 1.10Å | |
| C21 | H42 | sing | 1.09Å | 1.10Å | |
| C21 | H43 | sing | 1.09Å | 1.10Å | |
| C22 | H44 | sing | 1.09Å | 1.10Å | |
| C22 | H45 | sing | 1.09Å | 1.10Å | |
| C22 | H46 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | C | O | 118.4° | 120.0° |
| CA | C | OXT | 118.8° | 120.0° |
| C | CA | N | 109.1° | 109.5° |
| C | CA | CB | 111.4° | 109.5° |
| C | CA | HA | 109.0° | 109.5° |
| O | C | OXT | 122.8° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| CA | N | H | 109.5° | 110.9° |
| CA | N | H2 | 109.5° | 111.1° |
| N | CA | CB | 108.8° | 109.5° |
| N | CA | HA | 109.7° | 109.4° |
| H | N | H2 | 109.4° | 111.0° |
| OG | P | O2 | 103.4° | 109.4° |
| OG | P | O3 | 107.8° | 109.5° |
| OG | P | O4 | 106.3° | 109.5° |
| P | OG | CB | 121.9° | 123.0° |
| O2 | P | O3 | 110.0° | 109.5° |
| O2 | P | O4 | 107.2° | 109.5° |
| P | O2 | C2 | 125.0° | 122.9° |
| O3 | P | O4 | 120.8° | 109.5° |
| P | O4 | H22 | 109.5° | 114.0° |
| OG | CB | CA | 110.4° | 109.5° |
| OG | CB | HB2 | 109.3° | 109.5° |
| OG | CB | HB3 | 109.3° | 109.5° |
| O2 | C2 | C3 | 108.6° | 109.4° |
| O2 | C2 | H2B | 109.7° | 109.5° |
| O2 | C2 | H2A | 109.7° | 109.5° |
| C3 | C2 | H2B | 109.7° | 109.5° |
| C3 | C2 | H2A | 109.7° | 109.5° |
| C2 | C3 | C4 | 112.2° | 109.5° |
| C2 | C3 | O11 | 107.6° | 109.5° |
| C2 | C3 | H3 | 107.9° | 109.5° |
| H2B | C2 | H2A | 109.5° | 109.5° |
| C4 | C3 | O11 | 112.1° | 109.4° |
| C4 | C3 | H3 | 107.8° | 109.5° |
| C3 | C4 | O52 | 112.7° | 109.5° |
| C3 | C4 | H4 | 108.7° | 109.5° |
| C3 | C4 | H4A | 108.7° | 109.4° |
| O11 | C3 | H3 | 109.1° | 109.4° |
| C3 | O11 | HO11 | 109.5° | 114.0° |
| O52 | C4 | H4 | 108.7° | 109.5° |
| O52 | C4 | H4A | 108.6° | 109.4° |
| C4 | O52 | C5 | 121.7° | 117.0° |
| H4 | C4 | H4A | 109.4° | 109.5° |
| C6 | C5 | O51 | 119.4° | 120.0° |
| C6 | C5 | O52 | 122.0° | 120.0° |
| C5 | C6 | C7 | 118.1° | 109.5° |
| C5 | C6 | H6 | 107.2° | 109.4° |
| C5 | C6 | H6A | 107.3° | 109.4° |
| O51 | C5 | O52 | 118.5° | 119.9° |
| C7 | C6 | H6 | 107.3° | 109.5° |
| C7 | C6 | H6A | 107.3° | 109.5° |
| C6 | C7 | C8 | 116.8° | 109.4° |
| C6 | C7 | H7 | 107.6° | 109.4° |
| C6 | C7 | H23 | 107.6° | 109.5° |
| H6 | C6 | H6A | 109.5° | 109.5° |
| C8 | C7 | H7 | 107.6° | 109.5° |
| C7 | C8 | C9 | 124.9° | 109.4° |
| C7 | C8 | H8 | 105.5° | 109.5° |
| C8 | C7 | H23 | 107.6° | 109.5° |
| C7 | C8 | H24 | 105.5° | 109.5° |
| H7 | C7 | H23 | 109.5° | 109.4° |
| C9 | C8 | H8 | 105.5° | 109.4° |
| C8 | C9 | C10 | 115.3° | 109.5° |
| C8 | C9 | H9 | 108.0° | 109.5° |
| C8 | C9 | H9A | 108.0° | 109.5° |
| C9 | C8 | H24 | 105.5° | 109.5° |
| H8 | C8 | H24 | 109.5° | 109.5° |
| C10 | C9 | H9 | 108.0° | 109.4° |
| C10 | C9 | H9A | 108.0° | 109.5° |
| C9 | C10 | C11 | 118.2° | 109.5° |
| C9 | C10 | H10 | 107.2° | 109.4° |
| C9 | C10 | H25 | 107.2° | 109.5° |
| H9 | C9 | H9A | 109.5° | 109.4° |
| CB | CA | HA | 108.8° | 109.4° |
| CA | CB | HB2 | 109.2° | 109.5° |
| CA | CB | HB3 | 109.3° | 109.4° |
| HB2 | CB | HB3 | 109.5° | 109.5° |
| C11 | C10 | H10 | 107.3° | 109.5° |
| C10 | C11 | C12 | 112.5° | 109.5° |
| C10 | C11 | H11 | 108.7° | 109.4° |
| C11 | C10 | H25 | 107.2° | 109.5° |
| C10 | C11 | H26 | 108.7° | 109.4° |
| H10 | C10 | H25 | 109.5° | 109.4° |
| C12 | C11 | H11 | 108.7° | 109.5° |
| C11 | C12 | C13 | 125.0° | 109.5° |
| C11 | C12 | H12 | 105.4° | 109.5° |
| C12 | C11 | H26 | 108.7° | 109.5° |
| C11 | C12 | H27 | 105.4° | 109.4° |
| H11 | C11 | H26 | 109.5° | 109.5° |
| C13 | C12 | H12 | 105.5° | 109.5° |
| C12 | C13 | C14 | 177.6° | 120.0° |
| C13 | C12 | H27 | 105.4° | 109.5° |
| C12 | C13 | H28 | 91.2° | 120.0° |
| H12 | C12 | H27 | 109.5° | 109.5° |
| C13 | C14 | H14 | 120.0° | 120.0° |
| C13 | C14 | C15 | 120.0° | 120.0° |
| C14 | C13 | H28 | 91.2° | 120.0° |
| H14 | C14 | C15 | 120.0° | 120.0° |
| C14 | C15 | C16 | 132.7° | 109.5° |
| C14 | C15 | H30 | 103.4° | 109.5° |
| C14 | C15 | H31 | 103.4° | 109.5° |
| C15 | C16 | C17 | 132.7° | 109.5° |
| C16 | C15 | H30 | 103.4° | 109.5° |
| C16 | C15 | H31 | 103.4° | 109.5° |
| C15 | C16 | H32 | 103.4° | 109.5° |
| C15 | C16 | H33 | 103.4° | 109.5° |
| C16 | C17 | C18 | 120.0° | 109.5° |
| C17 | C16 | H32 | 103.4° | 109.4° |
| C17 | C16 | H33 | 103.4° | 109.5° |
| C16 | C17 | H34 | 106.8° | 109.4° |
| C16 | C17 | H35 | 106.8° | 109.5° |
| C17 | C18 | C19 | 120.0° | 109.5° |
| C18 | C17 | H34 | 106.8° | 109.4° |
| C18 | C17 | H35 | 106.8° | 109.5° |
| C17 | C18 | H36 | 106.8° | 109.5° |
| C17 | C18 | H37 | 106.8° | 109.5° |
| C18 | C19 | C20 | 120.0° | 109.5° |
| C19 | C18 | H36 | 106.8° | 109.5° |
| C19 | C18 | H37 | 106.8° | 109.5° |
| C18 | C19 | H38 | 106.8° | 109.5° |
| C18 | C19 | H39 | 106.8° | 109.5° |
| C19 | C20 | C21 | 120.0° | 109.4° |
| C20 | C19 | H38 | 106.8° | 109.5° |
| C20 | C19 | H39 | 106.8° | 109.5° |
| C19 | C20 | H40 | 106.8° | 109.5° |
| C19 | C20 | H41 | 106.8° | 109.4° |
| C20 | C21 | C22 | 120.0° | 109.4° |
| C21 | C20 | H40 | 106.8° | 109.5° |
| C21 | C20 | H41 | 106.8° | 109.5° |
| C20 | C21 | H42 | 106.8° | 109.5° |
| C20 | C21 | H43 | 106.8° | 109.5° |
| C22 | C21 | H42 | 106.8° | 109.5° |
| C22 | C21 | H43 | 106.8° | 109.5° |
| C21 | C22 | H44 | 109.5° | 109.4° |
| C21 | C22 | H45 | 109.5° | 109.5° |
| C21 | C22 | H46 | 109.5° | 109.5° |
| H30 | C15 | H31 | 109.5° | 109.4° |
| H32 | C16 | H33 | 109.5° | 109.5° |
| H34 | C17 | H35 | 109.4° | 109.5° |
| H36 | C18 | H37 | 109.5° | 109.4° |
| H38 | C19 | H39 | 109.4° | 109.5° |
| H40 | C20 | H41 | 109.4° | 109.5° |
| H42 | C21 | H43 | 109.4° | 109.5° |
| H44 | C22 | H45 | 109.5° | 109.5° |
| H44 | C22 | H46 | 109.5° | 109.5° |
| H45 | C22 | H46 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | C | O | OXT | 179.8° | 179.8° |
| C | CA | N | CB | 121.7° | 120.1° |
| C | CA | N | HA | 119.4° | 120.0° |
| C | CA | N | H | 180.0° | 60.1° |
| C | CA | N | H2 | 60.0° | 176.0° |
| C | CA | CB | OG | 86.1° | 175.0° |
| C | CA | CB | HA | 120.1° | 120.0° |
| C | CA | CB | HB2 | 153.8° | 55.0° |
| C | CA | CB | HB3 | 34.1° | 65.0° |
| CA | C | OXT | HXT | 179.8° | 180.0° |
| O | C | CA | N | 122.8° | 20.1° |
| O | C | CA | CB | 117.0° | 100.0° |
| O | C | CA | HA | 3.0° | 140.0° |
| O | C | OXT | HXT | 0.0° | 0.2° |
| OXT | C | CA | N | 56.9° | 159.7° |
| OXT | C | CA | CB | 63.2° | 80.2° |
| OXT | C | CA | HA | 176.8° | 39.8° |
| CA | N | H | H2 | 120.0° | 124.0° |
| N | CA | CB | OG | 34.3° | 64.9° |
| N | CA | CB | HA | 119.5° | 119.9° |
| N | CA | CB | HB2 | 85.8° | 175.1° |
| N | CA | CB | HB3 | 154.4° | 55.1° |
| H | N | CA | CB | 58.3° | 60.0° |
| H | N | CA | HA | 60.6° | 179.9° |
| H2 | N | CA | CB | 178.3° | 63.9° |
| H2 | N | CA | HA | 59.4° | 56.0° |
| OG | P | O2 | O3 | 114.9° | 120.0° |
| OG | P | O2 | O4 | 112.0° | 120.0° |
| OG | P | O3 | O4 | 122.3° | 120.0° |
| OG | P | O2 | C2 | 169.0° | 175.0° |
| P | OG | CB | CA | 153.8° | 180.0° |
| P | OG | CB | HB2 | 33.7° | 60.0° |
| P | OG | CB | HB3 | 86.0° | 60.0° |
| OG | P | O4 | H22 | 123.0° | 60.0° |
| O2 | P | O3 | O4 | 125.7° | 120.0° |
| O2 | P | OG | CB | 71.9° | 175.0° |
| P | O2 | C2 | C3 | 160.3° | 180.0° |
| P | O2 | C2 | H2B | 40.5° | 60.0° |
| P | O2 | C2 | H2A | 79.8° | 60.0° |
| O2 | P | O4 | H22 | 127.0° | 60.0° |
| O3 | P | OG | CB | 44.6° | 55.0° |
| O3 | P | O2 | C2 | 76.0° | 55.0° |
| O3 | P | O4 | H22 | 0.0° | 180.0° |
| O4 | P | OG | CB | 175.5° | 65.0° |
| O4 | P | O2 | C2 | 57.0° | 65.0° |
| OG | CB | CA | HB2 | 120.1° | 120.0° |
| OG | CB | CA | HB3 | 120.1° | 120.0° |
| OG | CB | CA | HA | 153.8° | 55.0° |
| OG | CB | HB2 | HB3 | 119.6° | 120.0° |
| O2 | C2 | C3 | H2B | 119.9° | 120.0° |
| O2 | C2 | C3 | H2A | 119.9° | 120.0° |
| O2 | C2 | H2B | H2A | 120.4° | 120.0° |
| O2 | C2 | C3 | C4 | 177.2° | 175.0° |
| O2 | C2 | C3 | O11 | 59.0° | 65.0° |
| O2 | C2 | C3 | H3 | 58.6° | 55.0° |
| C3 | C2 | H2B | H2A | 120.4° | 120.0° |
| C2 | C3 | C4 | O11 | 121.2° | 120.0° |
| C2 | C3 | C4 | H3 | 118.7° | 120.1° |
| C2 | C3 | O11 | H3 | 116.8° | 120.1° |
| C2 | C3 | C4 | O52 | 172.3° | 175.0° |
| C2 | C3 | C4 | H4 | 51.8° | 65.0° |
| C2 | C3 | C4 | H4A | 67.2° | 55.0° |
| C2 | C3 | O11 | HO11 | 180.0° | 59.9° |
| H2B | C2 | C3 | C4 | 62.9° | 65.0° |
| H2B | C2 | C3 | O11 | 60.9° | 55.0° |
| H2B | C2 | C3 | H3 | 178.5° | 175.0° |
| H2A | C2 | C3 | C4 | 57.3° | 55.1° |
| H2A | C2 | C3 | O11 | 178.9° | 175.0° |
| H2A | C2 | C3 | H3 | 61.3° | 65.0° |
| C4 | C3 | O11 | H3 | 119.4° | 120.0° |
| C3 | C4 | O52 | H4 | 120.5° | 120.0° |
| C3 | C4 | O52 | H4A | 120.5° | 120.0° |
| C3 | C4 | H4 | H4A | 118.6° | 120.0° |
| C3 | C4 | O52 | C5 | 154.1° | 180.0° |
| C4 | C3 | O11 | HO11 | 56.2° | 60.0° |
| O11 | C3 | C4 | O52 | 51.2° | 65.0° |
| O11 | C3 | C4 | H4 | 69.3° | 55.0° |
| O11 | C3 | C4 | H4A | 171.6° | 175.0° |
| H3 | C3 | C4 | O52 | 69.0° | 54.9° |
| H3 | C3 | C4 | H4 | 170.5° | 175.0° |
| H3 | C3 | C4 | H4A | 51.5° | 65.0° |
| H3 | C3 | O11 | HO11 | 63.2° | 180.0° |
| O52 | C4 | H4 | H4A | 118.5° | 120.0° |
| C4 | O52 | C5 | C6 | 169.4° | 180.0° |
| C4 | O52 | C5 | O51 | 14.1° | 0.0° |
| H4 | C4 | O52 | C5 | 85.4° | 60.0° |
| H4A | C4 | O52 | C5 | 33.6° | 60.0° |
| C6 | C5 | O51 | O52 | 176.6° | 180.0° |
| C5 | C6 | C7 | H6 | 121.2° | 120.0° |
| C5 | C6 | C7 | H6A | 121.2° | 120.0° |
| C5 | C6 | H6 | H6A | 116.1° | 120.0° |
| C5 | C6 | C7 | C8 | 179.0° | 180.0° |
| C5 | C6 | C7 | H7 | 60.0° | 60.0° |
| C5 | C6 | C7 | H23 | 58.0° | 59.9° |
| O51 | C5 | C6 | C7 | 72.9° | 0.0° |
| O51 | C5 | C6 | H6 | 48.4° | 120.0° |
| O51 | C5 | C6 | H6A | 165.9° | 120.0° |
| O52 | C5 | C6 | C7 | 110.7° | 180.0° |
| O52 | C5 | C6 | H6 | 128.1° | 60.0° |
| O52 | C5 | C6 | H6A | 10.6° | 60.0° |
| C7 | C6 | H6 | H6A | 116.1° | 120.1° |
| C6 | C7 | C8 | H7 | 121.0° | 120.0° |
| C6 | C7 | C8 | H23 | 121.0° | 120.0° |
| C6 | C7 | H7 | H23 | 116.7° | 120.0° |
| C6 | C7 | C8 | C9 | 179.3° | 180.0° |
| C6 | C7 | C8 | H8 | 58.6° | 60.0° |
| C6 | C7 | C8 | H24 | 57.2° | 60.0° |
| H6 | C6 | C7 | C8 | 57.8° | 60.0° |
| H6 | C6 | C7 | H7 | 178.8° | 180.0° |
| H6 | C6 | C7 | H23 | 63.2° | 60.0° |
| H6A | C6 | C7 | C8 | 59.8° | 60.0° |
| H6A | C6 | C7 | H7 | 61.2° | 60.0° |
| H6A | C6 | C7 | H23 | 179.2° | 179.9° |
| C8 | C7 | H7 | H23 | 116.7° | 120.1° |
| C7 | C8 | C9 | H8 | 122.1° | 120.0° |
| C7 | C8 | C9 | H24 | 122.1° | 120.0° |
| C7 | C8 | H8 | H24 | 113.1° | 120.1° |
| C7 | C8 | C9 | C10 | 171.8° | 180.0° |
| C7 | C8 | C9 | H9 | 67.3° | 60.0° |
| C7 | C8 | C9 | H9A | 51.0° | 60.0° |
| H7 | C7 | C8 | C9 | 58.3° | 60.0° |
| H7 | C7 | C8 | H8 | 179.7° | 180.0° |
| H7 | C7 | C8 | H24 | 63.8° | 59.9° |
| C9 | C8 | H8 | H24 | 113.1° | 120.0° |
| C8 | C9 | C10 | H9 | 120.8° | 120.0° |
| C8 | C9 | C10 | H9A | 120.9° | 120.1° |
| C8 | C9 | H9 | H9A | 117.3° | 120.0° |
| C8 | C9 | C10 | C11 | 167.4° | 180.0° |
| C8 | C9 | C10 | H10 | 71.3° | 60.0° |
| C9 | C8 | C7 | H23 | 59.6° | 60.0° |
| C8 | C9 | C10 | H25 | 46.1° | 60.0° |
| H8 | C8 | C9 | C10 | 49.7° | 60.0° |
| H8 | C8 | C9 | H9 | 170.6° | 180.0° |
| H8 | C8 | C9 | H9A | 71.1° | 60.0° |
| H8 | C8 | C7 | H23 | 62.4° | 60.0° |
| C10 | C9 | H9 | H9A | 117.3° | 120.0° |
| C9 | C10 | C11 | H10 | 121.3° | 120.0° |
| C9 | C10 | C11 | H25 | 121.2° | 120.1° |
| C9 | C10 | H10 | H25 | 116.0° | 120.0° |
| C9 | C10 | C11 | C12 | 0.6° | 180.0° |
| C9 | C10 | C11 | H11 | 119.8° | 60.0° |
| C10 | C9 | C8 | H24 | 66.1° | 60.0° |
| C9 | C10 | C11 | H26 | 121.1° | 60.0° |
| H9 | C9 | C10 | C11 | 46.5° | 60.0° |
| H9 | C9 | C10 | H10 | 167.8° | 180.0° |
| H9 | C9 | C8 | H24 | 54.7° | 60.0° |
| H9 | C9 | C10 | H25 | 74.7° | 60.0° |
| H9A | C9 | C10 | C11 | 71.8° | 59.9° |
| H9A | C9 | C10 | H10 | 49.5° | 60.1° |
| H9A | C9 | C8 | H24 | 173.0° | 180.0° |
| H9A | C9 | C10 | H25 | 167.0° | 180.0° |
| CA | CB | HB2 | HB3 | 119.6° | 120.0° |
| HA | CA | CB | HB2 | 33.7° | 65.0° |
| HA | CA | CB | HB3 | 86.1° | 175.0° |
| C11 | C10 | H10 | H25 | 116.0° | 120.0° |
| C10 | C11 | C12 | H11 | 120.4° | 120.0° |
| C10 | C11 | C12 | H26 | 120.5° | 120.0° |
| C10 | C11 | H11 | H26 | 118.6° | 120.0° |
| C10 | C11 | C12 | C13 | 179.8° | 180.0° |
| C10 | C11 | C12 | H12 | 57.7° | 60.0° |
| C10 | C11 | C12 | H27 | 58.1° | 60.0° |
| H10 | C10 | C11 | C12 | 121.9° | 60.0° |
| H10 | C10 | C11 | H11 | 1.5° | 180.0° |
| H10 | C10 | C11 | H26 | 117.6° | 60.0° |
| C12 | C11 | H11 | H26 | 118.6° | 120.0° |
| C11 | C12 | C13 | H12 | 122.1° | 120.0° |
| C11 | C12 | C13 | H27 | 122.1° | 120.0° |
| C11 | C12 | H12 | H27 | 113.0° | 120.0° |
| C11 | C12 | C13 | C14 | 177.0° | 125.0° |
| C12 | C11 | C10 | H25 | 120.6° | 60.0° |
| C11 | C12 | C13 | H28 | 3.0° | 54.9° |
| H11 | C11 | C12 | C13 | 59.8° | 60.0° |
| H11 | C11 | C12 | H12 | 178.1° | 180.0° |
| H11 | C11 | C10 | H25 | 119.0° | 60.0° |
| H11 | C11 | C12 | H27 | 62.3° | 60.0° |
| C13 | C12 | H12 | H27 | 113.0° | 120.0° |
| C12 | C13 | C14 | H28 | 180.0° | 179.9° |
| C12 | C13 | C14 | H14 | 87.0° | 0.1° |
| C12 | C13 | C14 | C15 | 93.0° | 180.0° |
| C13 | C12 | C11 | H26 | 59.3° | 60.0° |
| H12 | C12 | C13 | C14 | 54.9° | 5.0° |
| H12 | C12 | C11 | H26 | 62.8° | 60.0° |
| H12 | C12 | C13 | H28 | 125.1° | 174.9° |
| C13 | C14 | H14 | C15 | 180.0° | 179.9° |
| C13 | C14 | C15 | C16 | 174.9° | 125.1° |
| C14 | C13 | C12 | H27 | 60.9° | 115.1° |
| C13 | C14 | C15 | H30 | 51.9° | 114.9° |
| C13 | C14 | C15 | H31 | 62.2° | 5.1° |
| H14 | C14 | C15 | C16 | 5.1° | 55.0° |
| H14 | C14 | C13 | H28 | 93.0° | 180.0° |
| H14 | C14 | C15 | H30 | 128.0° | 65.0° |
| H14 | C14 | C15 | H31 | 117.8° | 175.1° |
| C14 | C15 | C16 | H30 | 122.9° | 120.0° |
| C14 | C15 | C16 | H31 | 122.9° | 120.0° |
| C14 | C15 | C16 | C17 | 180.0° | 180.0° |
| C15 | C14 | C13 | H28 | 87.0° | 0.1° |
| C14 | C15 | H30 | H31 | 109.7° | 120.0° |
| C14 | C15 | C16 | H32 | 57.1° | 60.0° |
| C14 | C15 | C16 | H33 | 57.1° | 60.0° |
| C15 | C16 | C17 | H32 | 122.9° | 120.0° |
| C15 | C16 | C17 | H33 | 122.9° | 120.0° |
| C15 | C16 | C17 | C18 | 180.0° | 180.0° |
| C16 | C15 | H30 | H31 | 109.7° | 120.0° |
| C15 | C16 | H32 | H33 | 109.7° | 120.0° |
| C15 | C16 | C17 | H34 | 58.5° | 60.1° |
| C15 | C16 | C17 | H35 | 58.5° | 60.0° |
| C16 | C17 | C18 | H34 | 121.5° | 119.9° |
| C16 | C17 | C18 | H35 | 121.5° | 120.0° |
| C16 | C17 | C18 | C19 | 180.0° | 180.0° |
| C17 | C16 | C15 | H30 | 57.1° | 60.0° |
| C17 | C16 | C15 | H31 | 57.1° | 60.0° |
| C17 | C16 | H32 | H33 | 109.7° | 120.0° |
| C16 | C17 | H34 | H35 | 115.2° | 120.0° |
| C16 | C17 | C18 | H36 | 58.5° | 60.0° |
| C16 | C17 | C18 | H37 | 58.5° | 60.0° |
| C17 | C18 | C19 | H36 | 121.5° | 120.0° |
| C17 | C18 | C19 | H37 | 121.5° | 120.0° |
| C17 | C18 | C19 | C20 | 180.0° | 180.0° |
| C18 | C17 | C16 | H32 | 57.1° | 60.0° |
| C18 | C17 | C16 | H33 | 57.1° | 60.0° |
| C18 | C17 | H34 | H35 | 115.2° | 120.0° |
| C17 | C18 | H36 | H37 | 115.2° | 120.0° |
| C17 | C18 | C19 | H38 | 58.5° | 60.0° |
| C17 | C18 | C19 | H39 | 58.5° | 60.0° |
| C18 | C19 | C20 | H38 | 121.5° | 120.0° |
| C18 | C19 | C20 | H39 | 121.5° | 120.0° |
| C18 | C19 | C20 | C21 | 180.0° | 180.0° |
| C19 | C18 | C17 | H34 | 58.5° | 60.0° |
| C19 | C18 | C17 | H35 | 58.5° | 60.0° |
| C19 | C18 | H36 | H37 | 115.2° | 120.0° |
| C18 | C19 | H38 | H39 | 115.3° | 120.0° |
| C18 | C19 | C20 | H40 | 58.5° | 60.0° |
| C18 | C19 | C20 | H41 | 58.5° | 60.0° |
| C19 | C20 | C21 | H40 | 121.5° | 120.0° |
| C19 | C20 | C21 | H41 | 121.5° | 119.9° |
| C19 | C20 | C21 | C22 | 180.0° | 180.0° |
| C20 | C19 | C18 | H36 | 58.6° | 60.0° |
| C20 | C19 | C18 | H37 | 58.5° | 60.0° |
| C20 | C19 | H38 | H39 | 115.2° | 120.0° |
| C19 | C20 | H40 | H41 | 115.2° | 120.0° |
| C19 | C20 | C21 | H42 | 58.5° | 60.0° |
| C19 | C20 | C21 | H43 | 58.5° | 60.0° |
| C20 | C21 | C22 | H42 | 121.5° | 120.0° |
| C20 | C21 | C22 | H43 | 121.5° | 120.0° |
| C21 | C20 | C19 | H38 | 58.5° | 60.0° |
| C21 | C20 | C19 | H39 | 58.5° | 60.0° |
| C21 | C20 | H40 | H41 | 115.3° | 120.0° |
| C20 | C21 | H42 | H43 | 115.3° | 120.0° |
| C20 | C21 | C22 | H44 | 180.0° | 180.0° |
| C20 | C21 | C22 | H45 | 60.0° | 60.0° |
| C20 | C21 | C22 | H46 | 60.0° | 60.0° |
| C22 | C21 | C20 | H40 | 58.5° | 60.0° |
| C22 | C21 | C20 | H41 | 58.5° | 60.1° |
| C22 | C21 | H42 | H43 | 115.2° | 120.0° |
| C21 | C22 | H44 | H45 | 120.0° | 120.0° |
| C21 | C22 | H44 | H46 | 120.0° | 120.0° |
| C21 | C22 | H45 | H46 | 120.0° | 120.0° |
| H23 | C7 | C8 | H24 | 178.3° | 180.0° |
| H25 | C10 | C11 | H26 | 0.1° | 180.0° |
| H26 | C11 | C12 | H27 | 178.6° | 180.0° |
| H27 | C12 | C13 | H28 | 119.1° | 65.0° |
| H30 | C15 | C16 | H32 | NaN° | 180.0° |
| H30 | C15 | C16 | H33 | 65.9° | 60.0° |
| H31 | C15 | C16 | H32 | 65.9° | 60.0° |
| H31 | C15 | C16 | H33 | 180.0° | 180.0° |
| H32 | C16 | C17 | H34 | 178.6° | 180.0° |
| H32 | C16 | C17 | H35 | 64.4° | 60.0° |
| H33 | C16 | C17 | H34 | 64.4° | 60.0° |
| H33 | C16 | C17 | H35 | 178.6° | 180.0° |
| H34 | C17 | C18 | H36 | 180.0° | 180.0° |
| H34 | C17 | C18 | H37 | 62.9° | 60.0° |
| H35 | C17 | C18 | H36 | 63.0° | 60.0° |
| H35 | C17 | C18 | H37 | 179.9° | 180.0° |
| H36 | C18 | C19 | H38 | 179.9° | 180.0° |
| H36 | C18 | C19 | H39 | 62.9° | 60.0° |
| H37 | C18 | C19 | H38 | 63.0° | 60.0° |
| H37 | C18 | C19 | H39 | 180.0° | 180.0° |
| H38 | C19 | C20 | H40 | NaN° | 180.0° |
| H38 | C19 | C20 | H41 | 63.0° | 60.0° |
| H39 | C19 | C20 | H40 | 63.0° | 60.0° |
| H39 | C19 | C20 | H41 | 180.0° | 180.0° |
| H40 | C20 | C21 | H42 | 180.0° | 180.0° |
| H40 | C20 | C21 | H43 | 63.0° | 60.0° |
| H41 | C20 | C21 | H42 | 63.0° | 59.9° |
| H41 | C20 | C21 | H43 | 180.0° | 179.9° |
| H42 | C21 | C22 | H44 | 58.5° | 60.0° |
| H42 | C21 | C22 | H45 | 178.5° | 180.0° |
| H42 | C21 | C22 | H46 | 61.5° | 60.0° |
| H43 | C21 | C22 | H44 | 58.5° | 60.0° |
| H43 | C21 | C22 | H45 | 61.5° | 60.0° |
| H43 | C21 | C22 | H46 | 178.5° | 180.0° |
| H44 | C22 | H45 | H46 | 120.0° | 120.0° |
