PHW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OP1 | P | sing | 1.72Å | 1.78Å | |
| OP4 | P | sing | 1.72Å | 1.60Å | |
| OP3 | P | sing | 1.72Å | 1.64Å | |
| OP3 | C61 | sing | 1.36Å | 1.62Å | |
| C1 | O2 | sing | 1.43Å | 1.20Å | |
| C2 | C3 | doub | 1.32Å | 1.17Å | |
| C2 | O2 | sing | 1.36Å | 1.39Å | |
| C3 | C4 | sing | 1.51Å | 1.44Å | |
| C4 | C5 | sing | 1.53Å | 1.38Å | |
| C5 | P | sing | 1.87Å | 1.80Å | |
| C5 | N6 | sing | 1.47Å | 1.45Å | |
| C7 | C8 | sing | 1.51Å | 1.54Å | |
| C7 | N6 | sing | 1.35Å | 1.47Å | |
| C7 | O7 | doub | 1.21Å | 1.21Å | |
| C8 | C8A | sing | 1.55Å | 1.51Å | |
| C8 | N9 | sing | 1.47Å | 1.48Å | |
| C10 | C11 | sing | 1.51Å | 1.52Å | |
| C10 | N9 | sing | 1.35Å | 1.46Å | |
| C10 | O10 | doub | 1.21Å | 1.23Å | |
| C11 | C12 | sing | 1.53Å | 1.54Å | |
| C11 | N13 | sing | 1.47Å | 1.47Å | |
| C12 | C21 | sing | 1.51Å | 1.53Å | |
| C12 | C31 | sing | 1.51Å | 1.53Å | |
| C14 | N13 | sing | 1.35Å | 1.46Å | |
| C14 | O14 | doub | 1.22Å | 1.23Å | |
| C14 | O15 | sing | 1.35Å | 1.40Å | |
| C16 | O15 | sing | 1.45Å | 1.42Å | |
| C16 | C41 | sing | 1.51Å | 1.53Å | |
| P | OP2 | sing | 1.72Å | 1.65Å | |
| C61 | C421 | sing | 1.39Å | 1.54Å | Aromatic |
| OP2 | C51 | sing | 1.36Å | 1.40Å | |
| C51 | C52 | doub | 1.39Å | 1.40Å | Aromatic |
| C51 | C56 | sing | 1.39Å | 1.40Å | Aromatic |
| C52 | C53 | sing | 1.38Å | 1.39Å | Aromatic |
| C53 | C54 | doub | 1.38Å | 1.40Å | Aromatic |
| C54 | C55 | sing | 1.38Å | 1.39Å | Aromatic |
| C55 | C56 | doub | 1.38Å | 1.39Å | Aromatic |
| C8A | C8B | sing | 1.55Å | 1.53Å | |
| C8B | C8C | sing | 1.54Å | 1.53Å | |
| C8C | N9 | sing | 1.47Å | 1.47Å | |
| C21 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C26 | sing | 1.38Å | 1.40Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.40Å | Aromatic |
| C23 | C24 | doub | 1.38Å | 1.40Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.40Å | Aromatic |
| C25 | C26 | doub | 1.38Å | 1.40Å | Aromatic |
| C31 | C32 | doub | 1.38Å | 1.39Å | Aromatic |
| C31 | C36 | sing | 1.38Å | 1.40Å | Aromatic |
| C32 | C33 | sing | 1.38Å | 1.40Å | Aromatic |
| C33 | C34 | doub | 1.38Å | 1.40Å | Aromatic |
| C34 | C35 | sing | 1.38Å | 1.40Å | Aromatic |
| C35 | C36 | doub | 1.38Å | 1.40Å | Aromatic |
| C41 | C42 | doub | 1.38Å | 1.40Å | Aromatic |
| C41 | C46 | sing | 1.38Å | 1.39Å | Aromatic |
| C42 | C43 | sing | 1.38Å | 1.39Å | Aromatic |
| C43 | C44 | doub | 1.38Å | 1.40Å | Aromatic |
| C44 | C45 | sing | 1.38Å | 1.40Å | Aromatic |
| C45 | C46 | doub | 1.38Å | 1.39Å | Aromatic |
| C411 | C61 | doub | 1.39Å | 1.54Å | Aromatic |
| C411 | C451 | sing | 1.38Å | 1.54Å | Aromatic |
| C421 | C431 | doub | 1.38Å | 1.54Å | Aromatic |
| C431 | C441 | sing | 1.38Å | 1.54Å | Aromatic |
| C441 | C451 | doub | 1.38Å | 1.54Å | Aromatic |
| OP1 | HOP1 | sing | 0.97Å | 0.95Å | |
| OP4 | H50 | sing | 0.97Å | 0.95Å | |
| C1 | HC11 | sing | 1.09Å | 1.10Å | |
| C1 | HC12 | sing | 1.09Å | 1.10Å | |
| C1 | HC13 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | HC41 | sing | 1.09Å | 1.10Å | |
| C4 | HC42 | sing | 1.09Å | 1.10Å | |
| C5 | HC5 | sing | 1.09Å | 1.10Å | |
| C8 | H8C | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C52 | H52 | sing | 1.08Å | 1.08Å | |
| C53 | H53 | sing | 1.08Å | 1.08Å | |
| C54 | H54 | sing | 1.08Å | 1.08Å | |
| C55 | H55 | sing | 1.08Å | 1.08Å | |
| C56 | H56 | sing | 1.08Å | 1.08Å | |
| N6 | HN6 | sing | 0.97Å | 1.00Å | |
| C8A | H8A1 | sing | 1.09Å | 1.10Å | |
| C8A | H8A2 | sing | 1.09Å | 1.10Å | |
| C8B | H8B1 | sing | 1.09Å | 1.10Å | |
| C8B | H8B2 | sing | 1.09Å | 1.10Å | |
| C8C | H8C1 | sing | 1.09Å | 1.10Å | |
| C8C | H8C2 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| N13 | HN31 | sing | 0.97Å | 1.00Å | |
| C42 | H42 | sing | 1.08Å | 1.08Å | |
| C43 | H43 | sing | 1.08Å | 1.08Å | |
| C44 | H44 | sing | 1.08Å | 1.08Å | |
| C45 | H45 | sing | 1.08Å | 1.08Å | |
| C46 | H46 | sing | 1.08Å | 1.08Å | |
| C411 | H441 | sing | 1.08Å | 1.08Å | |
| C421 | H451 | sing | 1.08Å | 1.08Å | |
| C431 | H461 | sing | 1.08Å | 1.08Å | |
| C441 | H47 | sing | 1.08Å | 1.08Å | |
| C451 | H48 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OP1 | P | OP4 | 117.1° | 120.0° |
| OP1 | P | OP3 | 69.6° | 90.0° |
| OP1 | P | C5 | 119.5° | 120.0° |
| OP1 | P | OP2 | 105.1° | 90.0° |
| P | OP1 | HOP1 | 109.5° | 114.1° |
| OP4 | P | OP3 | 87.6° | 90.0° |
| OP4 | P | C5 | 119.1° | 120.0° |
| OP4 | P | OP2 | 91.8° | 90.0° |
| P | OP4 | H50 | 109.5° | 114.0° |
| P | OP3 | C61 | 132.0° | 114.0° |
| OP3 | P | C5 | 92.1° | 90.0° |
| OP3 | P | OP2 | 173.5° | 180.0° |
| OP3 | C61 | C421 | 141.9° | 120.1° |
| OP3 | C61 | C411 | 97.9° | 120.1° |
| C1 | O2 | C2 | 130.0° | 117.0° |
| O2 | C1 | HC11 | 109.5° | 109.4° |
| O2 | C1 | HC12 | 109.4° | 109.5° |
| O2 | C1 | HC13 | 109.4° | 109.4° |
| C3 | C2 | O2 | 125.2° | 120.0° |
| C2 | C3 | C4 | 131.5° | 120.0° |
| C3 | C2 | H2 | 117.4° | 120.0° |
| C2 | C3 | H3 | 114.2° | 120.0° |
| O2 | C2 | H2 | 117.4° | 120.0° |
| C3 | C4 | C5 | 105.1° | 109.4° |
| C4 | C3 | H3 | 114.2° | 120.0° |
| C3 | C4 | HC41 | 110.9° | 109.4° |
| C3 | C4 | HC42 | 110.9° | 109.5° |
| C4 | C5 | P | 123.7° | 109.5° |
| C4 | C5 | N6 | 105.2° | 109.5° |
| C5 | C4 | HC41 | 111.0° | 109.5° |
| C5 | C4 | HC42 | 110.9° | 109.5° |
| C4 | C5 | HC5 | 101.4° | 109.5° |
| P | C5 | N6 | 104.7° | 109.4° |
| C5 | P | OP2 | 93.9° | 90.0° |
| P | C5 | HC5 | 101.9° | 109.5° |
| C5 | N6 | C7 | 121.3° | 120.0° |
| N6 | C5 | HC5 | 121.5° | 109.5° |
| C5 | N6 | HN6 | 119.4° | 120.0° |
| C8 | C7 | N6 | 115.1° | 120.0° |
| C8 | C7 | O7 | 121.6° | 120.0° |
| C7 | C8 | C8A | 118.6° | 110.4° |
| C7 | C8 | N9 | 107.8° | 110.4° |
| C7 | C8 | H8C | 102.3° | 110.3° |
| N6 | C7 | O7 | 123.3° | 120.0° |
| C7 | N6 | HN6 | 119.3° | 120.0° |
| C8A | C8 | N9 | 101.7° | 104.8° |
| C8 | C8A | C8B | 104.9° | 101.6° |
| C8A | C8 | H8C | 108.3° | 110.4° |
| C8 | C8A | H8A1 | 111.0° | 111.0° |
| C8 | C8A | H8A2 | 111.0° | 111.0° |
| C8 | N9 | C10 | 121.8° | 125.6° |
| C8 | N9 | C8C | 112.6° | 108.7° |
| N9 | C8 | H8C | 119.1° | 110.5° |
| C11 | C10 | N9 | 119.4° | 120.0° |
| C11 | C10 | O10 | 119.3° | 120.0° |
| C10 | C11 | C12 | 112.1° | 109.4° |
| C10 | C11 | N13 | 106.2° | 109.5° |
| C10 | C11 | H11 | 109.7° | 109.5° |
| N9 | C10 | O10 | 120.7° | 120.0° |
| C10 | N9 | C8C | 124.9° | 125.7° |
| C12 | C11 | N13 | 108.8° | 109.4° |
| C11 | C12 | C21 | 113.3° | 109.5° |
| C11 | C12 | C31 | 109.5° | 109.5° |
| C12 | C11 | H11 | 107.1° | 109.5° |
| C11 | C12 | H12 | 108.2° | 109.5° |
| C11 | N13 | C14 | 121.1° | 120.0° |
| N13 | C11 | H11 | 112.9° | 109.5° |
| C11 | N13 | HN31 | 119.4° | 120.0° |
| C21 | C12 | C31 | 113.2° | 109.4° |
| C12 | C21 | C22 | 119.1° | 120.0° |
| C12 | C21 | C26 | 121.2° | 120.0° |
| C21 | C12 | H12 | 104.0° | 109.4° |
| C12 | C31 | C32 | 122.0° | 120.0° |
| C12 | C31 | C36 | 119.3° | 120.0° |
| C31 | C12 | H12 | 108.2° | 109.5° |
| N13 | C14 | O14 | 120.6° | 120.0° |
| N13 | C14 | O15 | 115.0° | 120.0° |
| C14 | N13 | HN31 | 119.5° | 120.0° |
| O14 | C14 | O15 | 123.5° | 120.0° |
| C14 | O15 | C16 | 111.1° | 117.0° |
| O15 | C16 | C41 | 108.3° | 109.5° |
| O15 | C16 | H161 | 109.9° | 109.5° |
| O15 | C16 | H162 | 109.9° | 109.5° |
| C16 | C41 | C42 | 118.3° | 120.0° |
| C16 | C41 | C46 | 121.7° | 120.0° |
| C41 | C16 | H161 | 109.8° | 109.4° |
| C41 | C16 | H162 | 109.9° | 109.4° |
| P | OP2 | C51 | 120.6° | 114.0° |
| C421 | C61 | C411 | 120.0° | 119.8° |
| C61 | C421 | C431 | 120.0° | 120.0° |
| C61 | C421 | H451 | 120.0° | 120.0° |
| OP2 | C51 | C52 | 120.6° | 120.0° |
| OP2 | C51 | C56 | 119.0° | 120.1° |
| C52 | C51 | C56 | 118.7° | 119.9° |
| C51 | C52 | C53 | 120.5° | 120.0° |
| C51 | C52 | H52 | 119.8° | 120.1° |
| C51 | C56 | C55 | 120.8° | 120.0° |
| C51 | C56 | H56 | 119.6° | 120.0° |
| C52 | C53 | C54 | 120.6° | 120.0° |
| C53 | C52 | H52 | 119.7° | 120.0° |
| C52 | C53 | H53 | 119.7° | 120.0° |
| C53 | C54 | C55 | 118.9° | 120.1° |
| C54 | C53 | H53 | 119.7° | 120.0° |
| C53 | C54 | H54 | 120.5° | 119.9° |
| C54 | C55 | C56 | 120.5° | 120.0° |
| C55 | C54 | H54 | 120.6° | 120.0° |
| C54 | C55 | H55 | 119.8° | 120.0° |
| C56 | C55 | H55 | 119.8° | 120.0° |
| C55 | C56 | H56 | 119.6° | 120.0° |
| C8A | C8B | C8C | 104.7° | 103.0° |
| C8B | C8A | H8A1 | 111.0° | 111.0° |
| C8B | C8A | H8A2 | 111.0° | 111.1° |
| C8A | C8B | H8B1 | 111.1° | 110.7° |
| C8A | C8B | H8B2 | 111.1° | 110.8° |
| C8B | C8C | N9 | 103.9° | 107.3° |
| C8C | C8B | H8B1 | 111.1° | 110.7° |
| C8C | C8B | H8B2 | 111.1° | 110.7° |
| C8B | C8C | H8C1 | 111.4° | 109.9° |
| C8B | C8C | H8C2 | 111.4° | 109.9° |
| N9 | C8C | H8C1 | 111.4° | 109.9° |
| N9 | C8C | H8C2 | 111.4° | 109.9° |
| C22 | C21 | C26 | 119.6° | 120.0° |
| C21 | C22 | C23 | 122.2° | 120.0° |
| C21 | C22 | H22 | 118.9° | 120.0° |
| C21 | C26 | C25 | 117.9° | 120.0° |
| C21 | C26 | H26 | 121.0° | 120.0° |
| C22 | C23 | C24 | 118.7° | 120.0° |
| C23 | C22 | H22 | 118.9° | 120.0° |
| C22 | C23 | H23 | 120.6° | 120.0° |
| C23 | C24 | C25 | 118.8° | 120.0° |
| C24 | C23 | H23 | 120.6° | 120.0° |
| C23 | C24 | H24 | 120.6° | 120.0° |
| C24 | C25 | C26 | 122.8° | 120.0° |
| C25 | C24 | H24 | 120.6° | 120.0° |
| C24 | C25 | H25 | 118.6° | 120.0° |
| C26 | C25 | H25 | 118.6° | 120.0° |
| C25 | C26 | H26 | 121.1° | 120.0° |
| C32 | C31 | C36 | 118.5° | 120.0° |
| C31 | C32 | C33 | 120.6° | 120.0° |
| C31 | C32 | H32 | 119.7° | 120.0° |
| C31 | C36 | C35 | 121.3° | 120.0° |
| C31 | C36 | H36 | 119.4° | 119.9° |
| C32 | C33 | C34 | 120.4° | 120.0° |
| C33 | C32 | H32 | 119.7° | 120.0° |
| C32 | C33 | H33 | 119.8° | 120.0° |
| C33 | C34 | C35 | 119.2° | 120.0° |
| C34 | C33 | H33 | 119.8° | 120.0° |
| C33 | C34 | H34 | 120.3° | 120.0° |
| C34 | C35 | C36 | 119.9° | 120.1° |
| C35 | C34 | H34 | 120.4° | 120.0° |
| C34 | C35 | H35 | 120.0° | 120.0° |
| C36 | C35 | H35 | 120.1° | 120.0° |
| C35 | C36 | H36 | 119.4° | 120.1° |
| C42 | C41 | C46 | 120.0° | 120.0° |
| C41 | C42 | C43 | 119.7° | 120.0° |
| C41 | C42 | H42 | 120.1° | 120.0° |
| C41 | C46 | C45 | 120.4° | 120.0° |
| C41 | C46 | H46 | 119.8° | 120.0° |
| C42 | C43 | C44 | 120.1° | 120.0° |
| C43 | C42 | H42 | 120.1° | 120.0° |
| C42 | C43 | H43 | 119.9° | 120.0° |
| C43 | C44 | C45 | 120.1° | 120.0° |
| C44 | C43 | H43 | 119.9° | 120.0° |
| C43 | C44 | H44 | 120.0° | 120.0° |
| C44 | C45 | C46 | 119.6° | 120.0° |
| C45 | C44 | H44 | 119.9° | 120.0° |
| C44 | C45 | H45 | 120.2° | 120.0° |
| C46 | C45 | H45 | 120.2° | 120.0° |
| C45 | C46 | H46 | 119.8° | 120.0° |
| C61 | C411 | C451 | 120.0° | 119.9° |
| C61 | C411 | H441 | 120.0° | 120.0° |
| C411 | C451 | C441 | 120.0° | 120.1° |
| C451 | C411 | H441 | 120.0° | 120.1° |
| C411 | C451 | H48 | 120.0° | 119.9° |
| C421 | C431 | C441 | 120.0° | 120.1° |
| C431 | C421 | H451 | 120.0° | 120.1° |
| C421 | C431 | H461 | 120.0° | 119.9° |
| C431 | C441 | C451 | 120.0° | 120.1° |
| C441 | C431 | H461 | 120.0° | 120.0° |
| C431 | C441 | H47 | 120.0° | 120.0° |
| C451 | C441 | H47 | 120.0° | 119.9° |
| C441 | C451 | H48 | 120.0° | 120.0° |
| HC11 | C1 | HC12 | 109.5° | 109.5° |
| HC11 | C1 | HC13 | 109.5° | 109.5° |
| HC12 | C1 | HC13 | 109.5° | 109.5° |
| HC41 | C4 | HC42 | 108.0° | 109.6° |
| H161 | C16 | H162 | 109.1° | 109.5° |
| H8A1 | C8A | H8A2 | 107.9° | 110.9° |
| H8B1 | C8B | H8B2 | 107.8° | 110.8° |
| H8C1 | C8C | H8C2 | 107.5° | 110.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OP1 | P | OP4 | OP3 | 65.5° | 90.0° |
| OP1 | P | OP4 | C5 | 156.6° | 179.9° |
| OP1 | P | OP4 | OP2 | 108.0° | 90.0° |
| OP1 | P | OP3 | C5 | 120.8° | 120.0° |
| OP1 | P | OP3 | OP2 | 35.7° | 135.0° |
| OP1 | P | OP3 | C61 | 91.7° | 115.2° |
| OP1 | P | C5 | C4 | 63.0° | 175.5° |
| OP1 | P | C5 | OP2 | 109.7° | 89.9° |
| OP1 | P | C5 | N6 | 57.1° | 64.6° |
| OP1 | P | OP2 | C51 | 134.6° | 65.1° |
| OP1 | P | OP4 | H50 | 180.0° | 179.9° |
| OP1 | P | C5 | HC5 | 175.5° | 55.4° |
| OP4 | P | OP3 | C5 | 119.1° | 120.0° |
| OP4 | P | OP3 | OP2 | 84.5° | 15.0° |
| OP4 | P | OP3 | C61 | 148.1° | 4.8° |
| OP4 | P | C5 | C4 | 93.1° | 4.5° |
| OP4 | P | C5 | OP2 | 94.2° | 90.0° |
| OP4 | P | C5 | N6 | 146.9° | 115.5° |
| OP4 | P | OP2 | C51 | 15.9° | 54.9° |
| OP4 | P | OP1 | HOP1 | 180.0° | 88.4° |
| OP4 | P | C5 | HC5 | 19.5° | 124.6° |
| OP3 | P | C5 | C4 | 4.7° | 94.5° |
| OP3 | P | C5 | OP2 | 177.4° | 180.0° |
| OP3 | P | C5 | N6 | 124.7° | 25.5° |
| P | OP3 | C61 | C421 | 14.9° | 85.4° |
| OP3 | P | OP2 | C51 | 100.2° | 71.9° |
| P | OP3 | C61 | C411 | 160.1° | 94.3° |
| OP3 | P | OP1 | HOP1 | 104.0° | 178.4° |
| OP3 | P | OP4 | H50 | 114.5° | 90.0° |
| OP3 | P | C5 | HC5 | 107.9° | 145.4° |
| C61 | OP3 | P | C5 | 29.0° | 124.8° |
| C61 | OP3 | P | OP2 | 127.4° | 21.8° |
| OP3 | C61 | C421 | C411 | 174.3° | 179.8° |
| OP3 | C61 | C411 | C451 | 176.5° | 180.0° |
| OP3 | C61 | C421 | C431 | 174.3° | 180.0° |
| OP3 | C61 | C411 | H441 | 3.5° | 0.0° |
| OP3 | C61 | C421 | H451 | 5.7° | 0.1° |
| C1 | O2 | C2 | C3 | 69.4° | 180.0° |
| O2 | C1 | HC11 | HC12 | 120.0° | 120.0° |
| O2 | C1 | HC11 | HC13 | 120.0° | 120.0° |
| O2 | C1 | HC12 | HC13 | 120.0° | 120.0° |
| C1 | O2 | C2 | H2 | 110.6° | 0.1° |
| C3 | C2 | O2 | H2 | 180.0° | 179.9° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 41.8° | 125.0° |
| C2 | C3 | C4 | HC41 | 161.8° | 115.1° |
| C2 | C3 | C4 | HC42 | 78.2° | 5.0° |
| O2 | C2 | C3 | C4 | 163.8° | 180.0° |
| C2 | O2 | C1 | HC11 | 180.0° | 180.0° |
| C2 | O2 | C1 | HC12 | 60.0° | 59.9° |
| C2 | O2 | C1 | HC13 | 60.0° | 60.0° |
| O2 | C2 | C3 | H3 | 16.2° | 0.1° |
| C3 | C4 | C5 | HC41 | 120.0° | 119.9° |
| C3 | C4 | C5 | HC42 | 120.0° | 120.0° |
| C3 | C4 | C5 | P | 152.6° | 60.1° |
| C3 | C4 | C5 | N6 | 87.6° | 180.0° |
| C4 | C3 | C2 | H2 | 16.2° | 0.1° |
| C3 | C4 | HC41 | HC42 | 121.8° | 120.0° |
| C3 | C4 | C5 | HC5 | 39.8° | 60.0° |
| C4 | C5 | P | N6 | 120.0° | 120.0° |
| C4 | C5 | P | HC5 | 112.6° | 120.1° |
| C4 | C5 | N6 | HC5 | 114.0° | 120.1° |
| C4 | C5 | N6 | C7 | 20.2° | 139.4° |
| C4 | C5 | P | OP2 | 172.7° | 85.5° |
| C5 | C4 | C3 | H3 | 138.2° | 55.0° |
| C5 | C4 | HC41 | HC42 | 121.8° | 120.0° |
| C4 | C5 | N6 | HN6 | 159.8° | 40.5° |
| P | C5 | N6 | HC5 | 114.3° | 120.0° |
| P | C5 | N6 | C7 | 111.5° | 100.6° |
| C5 | P | OP2 | C51 | 103.5° | 174.9° |
| C5 | P | OP1 | HOP1 | 23.5° | 91.6° |
| C5 | P | OP4 | H50 | 23.4° | 0.0° |
| P | C5 | C4 | HC41 | 87.4° | 180.0° |
| P | C5 | C4 | HC42 | 32.6° | 59.9° |
| P | C5 | N6 | HN6 | 68.5° | 79.5° |
| C5 | N6 | C7 | C8 | 157.8° | 174.7° |
| C5 | N6 | C7 | HN6 | 180.0° | 179.9° |
| C5 | N6 | C7 | O7 | 24.2° | 5.2° |
| N6 | C5 | P | OP2 | 52.6° | 154.5° |
| N6 | C5 | C4 | HC41 | 32.4° | 60.1° |
| N6 | C5 | C4 | HC42 | 152.4° | 60.0° |
| C8 | C7 | N6 | O7 | 178.0° | 179.9° |
| C7 | C8 | C8A | N9 | 117.9° | 118.8° |
| C7 | C8 | C8A | H8C | 115.9° | 122.2° |
| C7 | C8 | N9 | H8C | 115.8° | 122.3° |
| C7 | C8 | N9 | C10 | 85.6° | 37.1° |
| C7 | C8 | C8A | C8B | 84.7° | 155.9° |
| C7 | C8 | N9 | C8C | 103.7° | 143.0° |
| C8 | C7 | N6 | HN6 | 22.2° | 5.4° |
| C7 | C8 | C8A | H8A1 | 35.4° | 37.7° |
| C7 | C8 | C8A | H8A2 | 155.3° | 86.0° |
| N6 | C7 | C8 | C8A | 170.2° | 90.6° |
| N6 | C7 | C8 | N9 | 55.5° | 154.1° |
| C7 | N6 | C5 | HC5 | 134.2° | 19.4° |
| N6 | C7 | C8 | H8C | 70.8° | 31.7° |
| O7 | C7 | C8 | C8A | 11.8° | 89.5° |
| O7 | C7 | C8 | N9 | 126.5° | 25.8° |
| O7 | C7 | C8 | H8C | 107.2° | 148.2° |
| O7 | C7 | N6 | HN6 | 155.8° | 174.7° |
| C8A | C8 | N9 | H8C | 118.8° | 118.9° |
| C8A | C8 | N9 | C10 | 149.0° | 155.9° |
| C8 | C8A | C8B | H8A1 | 120.0° | 118.1° |
| C8 | C8A | C8B | H8A2 | 120.0° | 118.1° |
| C8 | C8A | C8B | C8C | 33.7° | 35.5° |
| C8A | C8 | N9 | C8C | 21.7° | 24.1° |
| C8 | C8A | H8A1 | H8A2 | 121.8° | 123.8° |
| C8 | C8A | C8B | H8B1 | 86.3° | 153.8° |
| C8 | C8A | C8B | H8B2 | 153.7° | 82.9° |
| C8 | N9 | C10 | C11 | 161.9° | 176.5° |
| C8 | N9 | C10 | C8C | 169.5° | 180.0° |
| C8 | N9 | C10 | O10 | 9.9° | 3.6° |
| N9 | C8 | C8A | C8B | 33.2° | 37.0° |
| C8 | N9 | C8C | C8B | 1.2° | 1.1° |
| N9 | C8 | C8A | H8A1 | 153.3° | 81.1° |
| N9 | C8 | C8A | H8A2 | 86.8° | 155.1° |
| C8 | N9 | C8C | H8C1 | 118.8° | 120.5° |
| C8 | N9 | C8C | H8C2 | 121.2° | 118.4° |
| C11 | C10 | N9 | O10 | 171.7° | 179.9° |
| C10 | C11 | C12 | N13 | 117.2° | 120.0° |
| C10 | C11 | C12 | H11 | 120.4° | 120.0° |
| C10 | C11 | N13 | H11 | 120.3° | 120.1° |
| C10 | C11 | C12 | C21 | 57.9° | 175.9° |
| C10 | C11 | C12 | C31 | 174.6° | 55.9° |
| C10 | C11 | N13 | C14 | 111.0° | 155.0° |
| C11 | C10 | N9 | C8C | 7.7° | 3.5° |
| C10 | C11 | C12 | H12 | 56.9° | 64.1° |
| C10 | C11 | N13 | HN31 | 69.1° | 24.9° |
| N9 | C10 | C11 | C12 | 107.1° | 115.3° |
| N9 | C10 | C11 | N13 | 134.2° | 124.7° |
| C10 | N9 | C8C | C8B | 169.2° | 178.9° |
| C10 | N9 | C8 | H8C | 30.2° | 85.2° |
| N9 | C10 | C11 | H11 | 11.8° | 4.7° |
| C10 | N9 | C8C | H8C1 | 70.8° | 59.5° |
| C10 | N9 | C8C | H8C2 | 49.2° | 61.6° |
| O10 | C10 | C11 | C12 | 64.8° | 64.8° |
| O10 | C10 | C11 | N13 | 54.0° | 55.2° |
| O10 | C10 | N9 | C8C | 179.4° | 176.4° |
| O10 | C10 | C11 | H11 | 176.4° | 175.2° |
| C12 | C11 | N13 | H11 | 118.8° | 120.0° |
| C11 | C12 | C21 | C31 | 125.5° | 120.0° |
| C11 | C12 | C21 | H12 | 117.2° | 120.0° |
| C11 | C12 | C31 | H12 | 117.7° | 120.1° |
| C12 | C11 | N13 | C14 | 128.2° | 85.0° |
| C11 | C12 | C21 | C22 | 121.1° | 121.2° |
| C11 | C12 | C21 | C26 | 55.4° | 58.6° |
| C11 | C12 | C31 | C32 | 39.5° | 128.8° |
| C11 | C12 | C31 | C36 | 146.2° | 51.4° |
| C12 | C11 | N13 | HN31 | 51.8° | 95.0° |
| N13 | C11 | C12 | C21 | 175.1° | 64.1° |
| N13 | C11 | C12 | C31 | 57.4° | 175.9° |
| C11 | N13 | C14 | HN31 | 180.0° | 180.0° |
| C11 | N13 | C14 | O14 | 0.8° | 0.0° |
| C11 | N13 | C14 | O15 | 170.6° | 180.0° |
| N13 | C11 | C12 | H12 | 60.3° | 55.9° |
| C21 | C12 | C31 | H12 | 114.8° | 119.9° |
| C12 | C21 | C22 | C26 | 176.5° | 179.7° |
| C12 | C21 | C22 | C23 | 176.8° | 180.0° |
| C12 | C21 | C26 | C25 | 176.6° | 179.8° |
| C21 | C12 | C31 | C32 | 88.0° | 111.1° |
| C21 | C12 | C31 | C36 | 86.3° | 68.6° |
| C21 | C12 | C11 | H11 | 62.5° | 55.9° |
| C12 | C21 | C22 | H22 | 3.2° | 0.1° |
| C12 | C21 | C26 | H26 | 3.3° | 0.0° |
| C31 | C12 | C21 | C22 | 113.3° | 118.8° |
| C31 | C12 | C21 | C26 | 70.2° | 61.4° |
| C12 | C31 | C32 | C36 | 174.4° | 179.7° |
| C12 | C31 | C32 | C33 | 174.3° | 179.9° |
| C12 | C31 | C36 | C35 | 174.3° | 179.7° |
| C31 | C12 | C11 | H11 | 65.0° | 64.1° |
| C12 | C31 | C32 | H32 | 5.7° | 0.0° |
| C12 | C31 | C36 | H36 | 5.7° | 0.0° |
| N13 | C14 | O14 | O15 | 168.9° | 180.0° |
| N13 | C14 | O15 | C16 | 164.2° | 180.0° |
| C14 | N13 | C11 | H11 | 9.4° | 35.0° |
| O14 | C14 | O15 | C16 | 26.4° | 0.0° |
| O14 | C14 | N13 | HN31 | 179.2° | 180.0° |
| C14 | O15 | C16 | C41 | 115.7° | 180.0° |
| C14 | O15 | C16 | H161 | 4.3° | 60.0° |
| C14 | O15 | C16 | H162 | 124.3° | 60.0° |
| O15 | C14 | N13 | HN31 | 9.4° | 0.0° |
| O15 | C16 | C41 | H161 | 120.0° | 120.0° |
| O15 | C16 | C41 | H162 | 120.0° | 120.0° |
| O15 | C16 | C41 | C42 | 17.4° | 90.0° |
| O15 | C16 | C41 | C46 | 163.0° | 90.3° |
| O15 | C16 | H161 | H162 | 120.5° | 120.1° |
| C16 | C41 | C42 | C46 | 179.6° | 179.8° |
| C16 | C41 | C42 | C43 | 179.5° | 180.0° |
| C16 | C41 | C46 | C45 | 179.3° | 179.8° |
| C41 | C16 | H161 | H162 | 120.5° | 119.9° |
| C16 | C41 | C42 | H42 | 0.5° | 0.0° |
| C16 | C41 | C46 | H46 | 0.8° | 0.0° |
| P | OP2 | C51 | C52 | 92.9° | 82.4° |
| P | OP2 | C51 | C56 | 101.7° | 97.8° |
| OP2 | P | OP1 | HOP1 | 79.9° | 1.6° |
| OP2 | P | OP4 | H50 | 72.0° | 90.0° |
| OP2 | P | C5 | HC5 | 74.7° | 34.6° |
| C421 | C61 | C411 | C451 | 0.0° | 0.3° |
| C61 | C421 | C431 | H451 | 180.0° | 179.9° |
| C61 | C421 | C431 | C441 | 0.0° | 0.0° |
| C421 | C61 | C411 | H441 | 180.0° | 179.8° |
| C61 | C421 | C431 | H461 | 180.0° | 180.0° |
| OP2 | C51 | C52 | C56 | 165.4° | 179.8° |
| OP2 | C51 | C52 | C53 | 165.6° | 180.0° |
| OP2 | C51 | C56 | C55 | 166.0° | 179.8° |
| OP2 | C51 | C52 | H52 | 14.3° | 0.0° |
| OP2 | C51 | C56 | H56 | 14.0° | 0.0° |
| C51 | C52 | C53 | H52 | 180.0° | 180.0° |
| C51 | C52 | C53 | C54 | 0.0° | 0.1° |
| C52 | C51 | C56 | C55 | 0.3° | 0.5° |
| C51 | C52 | C53 | H53 | 180.0° | 180.0° |
| C52 | C51 | C56 | H56 | 179.6° | 179.8° |
| C56 | C51 | C52 | C53 | 0.2° | 0.2° |
| C51 | C56 | C55 | C54 | 0.2° | 0.5° |
| C51 | C56 | C55 | H56 | 180.0° | 179.8° |
| C56 | C51 | C52 | H52 | 179.8° | 179.8° |
| C51 | C56 | C55 | H55 | 179.8° | 179.7° |
| C52 | C53 | C54 | H53 | 180.0° | 179.9° |
| C52 | C53 | C54 | C55 | 0.1° | 0.1° |
| C52 | C53 | C54 | H54 | 179.9° | 179.9° |
| C53 | C54 | C55 | H54 | 180.0° | 180.0° |
| C53 | C54 | C55 | C56 | 0.0° | 0.2° |
| C54 | C53 | C52 | H52 | 180.0° | 179.9° |
| C53 | C54 | C55 | H55 | 180.0° | 180.0° |
| C54 | C55 | C56 | H55 | 180.0° | 179.8° |
| C55 | C54 | C53 | H53 | 179.9° | 180.0° |
| C54 | C55 | C56 | H56 | 179.8° | 179.8° |
| C56 | C55 | C54 | H54 | 180.0° | 179.8° |
| C8A | C8B | C8C | H8B1 | 120.0° | 118.3° |
| C8A | C8B | C8C | H8B2 | 120.0° | 118.4° |
| C8A | C8B | C8C | N9 | 19.8° | 22.2° |
| C8B | C8A | C8 | H8C | 159.5° | 81.9° |
| C8B | C8A | H8A1 | H8A2 | 121.9° | 124.0° |
| C8A | C8B | H8B1 | H8B2 | 121.9° | 123.3° |
| C8A | C8B | C8C | H8C1 | 139.8° | 97.2° |
| C8A | C8B | C8C | H8C2 | 100.2° | 141.6° |
| C8B | C8C | N9 | H8C1 | 120.0° | 119.4° |
| C8B | C8C | N9 | H8C2 | 120.0° | 119.5° |
| C8C | C8B | C8A | H8A1 | 153.8° | 82.5° |
| C8C | C8B | C8A | H8A2 | 86.3° | 153.6° |
| C8C | C8B | H8B1 | H8B2 | 121.9° | 123.2° |
| C8B | C8C | H8C1 | H8C2 | 122.3° | 121.1° |
| C8C | N9 | C8 | H8C | 140.6° | 94.7° |
| N9 | C8C | C8B | H8B1 | 100.1° | 140.5° |
| N9 | C8C | C8B | H8B2 | 139.8° | 96.2° |
| N9 | C8C | H8C1 | H8C2 | 122.2° | 121.1° |
| C21 | C22 | C23 | H22 | 180.0° | 179.9° |
| C21 | C22 | C23 | C24 | 0.3° | 0.0° |
| C22 | C21 | C26 | C25 | 0.2° | 0.5° |
| C22 | C21 | C12 | H12 | 3.9° | 1.1° |
| C21 | C22 | C23 | H23 | 179.7° | 180.0° |
| C22 | C21 | C26 | H26 | 179.8° | 179.8° |
| C26 | C21 | C22 | C23 | 0.3° | 0.2° |
| C21 | C26 | C25 | C24 | 0.0° | 0.5° |
| C21 | C26 | C25 | H26 | 180.0° | 179.8° |
| C26 | C21 | C12 | H12 | 172.6° | 178.6° |
| C26 | C21 | C22 | H22 | 179.7° | 179.7° |
| C21 | C26 | C25 | H25 | 179.9° | 179.7° |
| C22 | C23 | C24 | H23 | 180.0° | 180.0° |
| C22 | C23 | C24 | C25 | 0.2° | 0.0° |
| C22 | C23 | C24 | H24 | 179.8° | 180.0° |
| C23 | C24 | C25 | H24 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 0.1° | 0.2° |
| C24 | C23 | C22 | H22 | 179.7° | 179.9° |
| C23 | C24 | C25 | H25 | 179.9° | 180.0° |
| C24 | C25 | C26 | H25 | 180.0° | 179.8° |
| C25 | C24 | C23 | H23 | 179.8° | 180.0° |
| C24 | C25 | C26 | H26 | 179.9° | 179.8° |
| C26 | C25 | C24 | H24 | 179.9° | 179.8° |
| C31 | C32 | C33 | H32 | 180.0° | 179.9° |
| C31 | C32 | C33 | C34 | 0.1° | 0.1° |
| C32 | C31 | C36 | C35 | 0.2° | 0.5° |
| C32 | C31 | C12 | H12 | 157.2° | 8.8° |
| C31 | C32 | C33 | H33 | 179.9° | 180.0° |
| C32 | C31 | C36 | H36 | 179.8° | 179.7° |
| C36 | C31 | C32 | C33 | 0.1° | 0.3° |
| C31 | C36 | C35 | C34 | 0.3° | 0.5° |
| C31 | C36 | C35 | H36 | 180.0° | 179.7° |
| C36 | C31 | C12 | H12 | 28.5° | 171.5° |
| C36 | C31 | C32 | H32 | 179.9° | 179.8° |
| C31 | C36 | C35 | H35 | 179.7° | 179.7° |
| C32 | C33 | C34 | H33 | 180.0° | 179.9° |
| C32 | C33 | C34 | C35 | 0.1° | 0.1° |
| C32 | C33 | C34 | H34 | 179.9° | 179.9° |
| C33 | C34 | C35 | H34 | 180.0° | 179.9° |
| C33 | C34 | C35 | C36 | 0.2° | 0.3° |
| C34 | C33 | C32 | H32 | 179.9° | 180.0° |
| C33 | C34 | C35 | H35 | 179.8° | 179.9° |
| C34 | C35 | C36 | H35 | 180.0° | 179.8° |
| C35 | C34 | C33 | H33 | 179.9° | 180.0° |
| C34 | C35 | C36 | H36 | 179.8° | 179.8° |
| C36 | C35 | C34 | H34 | 179.8° | 179.9° |
| C41 | C42 | C43 | H42 | 180.0° | 179.9° |
| C41 | C42 | C43 | C44 | 0.1° | 0.0° |
| C42 | C41 | C46 | C45 | 0.3° | 0.5° |
| C42 | C41 | C16 | H161 | 102.6° | 30.1° |
| C42 | C41 | C16 | H162 | 137.4° | 150.0° |
| C41 | C42 | C43 | H43 | 179.9° | 180.0° |
| C42 | C41 | C46 | H46 | 179.7° | 179.8° |
| C46 | C41 | C42 | C43 | 0.1° | 0.2° |
| C41 | C46 | C45 | C44 | 0.5° | 0.5° |
| C41 | C46 | C45 | H46 | 180.0° | 179.7° |
| C46 | C41 | C16 | H161 | 77.0° | 149.7° |
| C46 | C41 | C16 | H162 | 43.0° | 29.8° |
| C46 | C41 | C42 | H42 | 179.9° | 179.7° |
| C41 | C46 | C45 | H45 | 179.4° | 179.7° |
| C42 | C43 | C44 | H43 | 180.0° | 179.9° |
| C42 | C43 | C44 | C45 | 0.3° | 0.0° |
| C42 | C43 | C44 | H44 | 179.7° | 179.9° |
| C43 | C44 | C45 | H44 | 180.0° | 179.9° |
| C43 | C44 | C45 | C46 | 0.5° | 0.2° |
| C44 | C43 | C42 | H42 | 179.9° | 180.0° |
| C43 | C44 | C45 | H45 | 179.5° | 180.0° |
| C44 | C45 | C46 | H45 | 180.0° | 179.8° |
| C45 | C44 | C43 | H43 | 179.7° | 180.0° |
| C44 | C45 | C46 | H46 | 179.5° | 179.8° |
| C46 | C45 | C44 | H44 | 179.5° | 179.8° |
| C61 | C411 | C451 | H441 | 180.0° | 180.0° |
| C411 | C61 | C421 | C431 | 0.0° | 0.2° |
| C61 | C411 | C451 | C441 | 0.0° | 0.0° |
| C411 | C61 | C421 | H451 | 180.0° | 179.7° |
| C61 | C411 | C451 | H48 | 180.0° | 180.0° |
| C411 | C451 | C441 | C431 | 0.0° | 0.2° |
| C411 | C451 | C441 | H48 | 180.0° | 179.9° |
| C411 | C451 | C441 | H47 | 180.0° | 180.0° |
| C421 | C431 | C441 | H461 | 180.0° | 180.0° |
| C421 | C431 | C441 | C451 | 0.0° | 0.3° |
| C421 | C431 | C441 | H47 | 180.0° | 180.0° |
| C431 | C441 | C451 | H47 | 180.0° | 179.8° |
| C441 | C431 | C421 | H451 | 180.0° | 180.0° |
| C431 | C441 | C451 | H48 | 180.0° | 179.7° |
| C441 | C451 | C411 | H441 | 180.0° | 180.0° |
| C451 | C441 | C431 | H461 | 180.0° | 179.8° |
| HC11 | C1 | HC12 | HC13 | 120.0° | 120.0° |
| H2 | C2 | C3 | H3 | 163.8° | 180.0° |
| H3 | C3 | C4 | HC41 | 18.2° | 65.0° |
| H3 | C3 | C4 | HC42 | 101.9° | 174.9° |
| HC41 | C4 | C5 | HC5 | 159.7° | 59.9° |
| HC42 | C4 | C5 | HC5 | 80.2° | 180.0° |
| HC5 | C5 | N6 | HN6 | 45.8° | 160.5° |
| H8C | C8 | C8A | H8A1 | 80.5° | 160.0° |
| H8C | C8 | C8A | H8A2 | 39.5° | 36.2° |
| H11 | C11 | C12 | H12 | 177.3° | 175.9° |
| H11 | C11 | N13 | HN31 | 170.6° | 145.0° |
| H52 | C52 | C53 | H53 | 0.0° | 0.0° |
| H53 | C53 | C54 | H54 | 0.1° | 0.0° |
| H54 | C54 | C55 | H55 | 0.0° | 0.0° |
| H55 | C55 | C56 | H56 | 0.2° | 0.1° |
| H8A1 | C8A | C8B | H8B1 | 33.8° | 35.8° |
| H8A1 | C8A | C8B | H8B2 | 86.2° | 159.1° |
| H8A2 | C8A | C8B | H8B1 | 153.7° | 88.1° |
| H8A2 | C8A | C8B | H8B2 | 33.7° | 35.2° |
| H8B1 | C8B | C8C | H8C1 | 19.9° | 21.1° |
| H8B1 | C8B | C8C | H8C2 | 139.9° | 100.0° |
| H8B2 | C8B | C8C | H8C1 | 100.2° | 144.4° |
| H8B2 | C8B | C8C | H8C2 | 19.8° | 23.2° |
| H22 | C22 | C23 | H23 | 0.3° | 0.1° |
| H23 | C23 | C24 | H24 | 0.2° | 0.0° |
| H24 | C24 | C25 | H25 | 0.1° | 0.0° |
| H25 | C25 | C26 | H26 | 0.1° | 0.0° |
| H32 | C32 | C33 | H33 | 0.1° | 0.1° |
| H33 | C33 | C34 | H34 | 0.1° | 0.1° |
| H34 | C34 | C35 | H35 | 0.2° | 0.1° |
| H35 | C35 | C36 | H36 | 0.2° | 0.0° |
| H42 | C42 | C43 | H43 | 0.1° | 0.1° |
| H43 | C43 | C44 | H44 | 0.3° | 0.0° |
| H44 | C44 | C45 | H45 | 0.5° | 0.0° |
| H45 | C45 | C46 | H46 | 0.6° | 0.0° |
| H441 | C411 | C451 | H48 | 0.0° | 0.1° |
| H451 | C421 | C431 | H461 | 0.0° | 0.1° |
| H461 | C431 | C441 | H47 | 0.0° | 0.0° |
| H47 | C441 | C451 | H48 | 0.0° | 0.0° |
