GRG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C20 | C18 | sing | 1.51Å | 1.50Å | |
| C20 | H201 | sing | 1.09Å | 1.12Å | |
| C20 | H202 | sing | 1.09Å | 1.11Å | |
| C20 | H203 | sing | 1.09Å | 1.12Å | |
| C19 | C18 | sing | 1.51Å | 1.51Å | |
| C19 | H191 | sing | 1.09Å | 1.11Å | |
| C19 | H192 | sing | 1.09Å | 1.12Å | |
| C19 | H193 | sing | 1.09Å | 1.11Å | |
| C18 | C17 | doub | 1.31Å | 1.33Å | |
| C17 | C16 | sing | 1.51Å | 1.50Å | |
| C17 | H17 | sing | 1.08Å | 1.10Å | |
| C16 | C15 | sing | 1.53Å | 1.50Å | |
| C16 | H161 | sing | 1.09Å | 1.11Å | |
| C16 | H162 | sing | 1.09Å | 1.11Å | |
| C14 | C13 | sing | 1.51Å | 1.51Å | |
| C14 | H141 | sing | 1.09Å | 1.12Å | |
| C14 | H142 | sing | 1.09Å | 1.11Å | |
| C14 | H143 | sing | 1.09Å | 1.12Å | |
| C13 | C15 | sing | 1.51Å | 1.52Å | |
| C13 | C12 | doub | 1.31Å | 1.36Å | |
| C15 | H151 | sing | 1.09Å | 1.11Å | |
| C15 | H152 | sing | 1.09Å | 1.12Å | |
| C12 | C11 | sing | 1.51Å | 1.50Å | |
| C12 | H12 | sing | 1.08Å | 1.10Å | |
| C11 | C9 | sing | 1.53Å | 1.52Å | |
| C11 | H111 | sing | 1.09Å | 1.11Å | |
| C11 | H112 | sing | 1.09Å | 1.12Å | |
| C9 | C8 | sing | 1.51Å | 1.50Å | |
| C9 | HC91 | sing | 1.09Å | 1.11Å | |
| C9 | HC92 | sing | 1.09Å | 1.11Å | |
| C8 | C10 | sing | 1.51Å | 1.51Å | |
| C8 | C7 | doub | 1.31Å | 1.36Å | |
| C10 | H101 | sing | 1.09Å | 1.11Å | |
| C10 | H102 | sing | 1.09Å | 1.12Å | |
| C10 | H103 | sing | 1.09Å | 1.11Å | |
| C7 | C6 | sing | 1.51Å | 1.51Å | |
| C7 | HC7 | sing | 1.08Å | 1.10Å | |
| C6 | C5 | sing | 1.53Å | 1.53Å | |
| C6 | HC61 | sing | 1.09Å | 1.12Å | |
| C6 | HC62 | sing | 1.09Å | 1.11Å | |
| C5 | C3 | sing | 1.51Å | 1.50Å | |
| C5 | HC51 | sing | 1.09Å | 1.11Å | |
| C5 | HC52 | sing | 1.09Å | 1.12Å | |
| C3 | C4 | sing | 1.51Å | 1.51Å | |
| C3 | C2 | doub | 1.31Å | 1.36Å | |
| C4 | HC41 | sing | 1.09Å | 1.12Å | |
| C4 | HC42 | sing | 1.09Å | 1.11Å | |
| C4 | HC43 | sing | 1.09Å | 1.11Å | |
| C2 | C1 | sing | 1.51Å | 1.50Å | |
| C2 | HC2 | sing | 1.08Å | 1.10Å | |
| C1 | O1 | sing | 1.43Å | 1.43Å | |
| C1 | HC11 | sing | 1.09Å | 1.11Å | |
| C1 | HC12 | sing | 1.09Å | 1.12Å | |
| O1 | PA | sing | 1.61Å | 1.59Å | |
| PA | O1A | sing | 1.61Å | 1.50Å | |
| PA | O3A | sing | 1.61Å | 1.57Å | |
| PA | O2A | doub | 1.48Å | 1.54Å | |
| O1A | H1AO | sing | 0.97Å | 0.95Å | |
| O3A | PB | sing | 1.61Å | 1.56Å | |
| PB | O1B | sing | 1.61Å | 1.50Å | |
| PB | O2B | sing | 1.61Å | 1.54Å | |
| PB | O3B | doub | 1.48Å | 1.54Å | |
| O1B | H1BO | sing | 0.97Å | 0.95Å | |
| O2B | H2BO | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C18 | C20 | H201 | 114.1° | 109.5° |
| C18 | C20 | H202 | 110.6° | 109.5° |
| C18 | C20 | H203 | 110.5° | 109.5° |
| C20 | C18 | C19 | 114.0° | 120.0° |
| C20 | C18 | C17 | 121.6° | 120.0° |
| H201 | C20 | H202 | 110.5° | 109.4° |
| H201 | C20 | H203 | 110.5° | 109.5° |
| H202 | C20 | H203 | 99.7° | 109.5° |
| C18 | C19 | H191 | 114.0° | 109.4° |
| C18 | C19 | H192 | 110.5° | 109.5° |
| C18 | C19 | H193 | 110.5° | 109.5° |
| C19 | C18 | C17 | 124.3° | 120.0° |
| H191 | C19 | H192 | 110.5° | 109.5° |
| H191 | C19 | H193 | 110.6° | 109.5° |
| H192 | C19 | H193 | 99.7° | 109.5° |
| C18 | C17 | C16 | 125.4° | 120.0° |
| C18 | C17 | H17 | 110.8° | 120.0° |
| C16 | C17 | H17 | 123.9° | 120.0° |
| C17 | C16 | C15 | 111.3° | 109.5° |
| C17 | C16 | H161 | 111.5° | 109.5° |
| C17 | C16 | H162 | 111.5° | 109.5° |
| C15 | C16 | H161 | 111.5° | 109.5° |
| C15 | C16 | H162 | 111.5° | 109.4° |
| C16 | C15 | C13 | 111.1° | 109.5° |
| C16 | C15 | H151 | 111.6° | 109.5° |
| C16 | C15 | H152 | 111.6° | 109.4° |
| H161 | C16 | H162 | 98.9° | 109.4° |
| C13 | C14 | H141 | 113.9° | 109.5° |
| C13 | C14 | H142 | 110.6° | 109.5° |
| C13 | C14 | H143 | 110.6° | 109.5° |
| C14 | C13 | C15 | 113.9° | 120.0° |
| C14 | C13 | C12 | 123.8° | 120.0° |
| H141 | C14 | H142 | 110.6° | 109.5° |
| H141 | C14 | H143 | 110.5° | 109.4° |
| H142 | C14 | H143 | 99.7° | 109.5° |
| C15 | C13 | C12 | 122.3° | 120.0° |
| C13 | C15 | H151 | 111.6° | 109.5° |
| C13 | C15 | H152 | 111.6° | 109.4° |
| C13 | C12 | C11 | 125.0° | 120.0° |
| C13 | C12 | H12 | 112.0° | 120.0° |
| H151 | C15 | H152 | 98.8° | 109.5° |
| C11 | C12 | H12 | 123.0° | 120.0° |
| C12 | C11 | C9 | 111.7° | 109.5° |
| C12 | C11 | H111 | 111.4° | 109.5° |
| C12 | C11 | H112 | 111.4° | 109.5° |
| C9 | C11 | H111 | 111.4° | 109.4° |
| C9 | C11 | H112 | 111.4° | 109.5° |
| C11 | C9 | C8 | 114.2° | 109.5° |
| C11 | C9 | HC91 | 110.5° | 109.5° |
| C11 | C9 | HC92 | 110.5° | 109.5° |
| H111 | C11 | H112 | 99.0° | 109.4° |
| C8 | C9 | HC91 | 110.5° | 109.4° |
| C8 | C9 | HC92 | 110.5° | 109.5° |
| C9 | C8 | C10 | 113.7° | 120.0° |
| C9 | C8 | C7 | 121.9° | 120.1° |
| HC91 | C9 | HC92 | 99.9° | 109.5° |
| C10 | C8 | C7 | 124.4° | 120.0° |
| C8 | C10 | H101 | 113.7° | 109.5° |
| C8 | C10 | H102 | 110.7° | 109.5° |
| C8 | C10 | H103 | 110.7° | 109.5° |
| C8 | C7 | C6 | 124.9° | 120.0° |
| C8 | C7 | HC7 | 112.0° | 120.0° |
| H101 | C10 | H102 | 110.6° | 109.4° |
| H101 | C10 | H103 | 110.7° | 109.4° |
| H102 | C10 | H103 | 99.6° | 109.4° |
| C6 | C7 | HC7 | 123.1° | 120.0° |
| C7 | C6 | C5 | 113.6° | 109.5° |
| C7 | C6 | HC61 | 110.7° | 109.4° |
| C7 | C6 | HC62 | 110.7° | 109.5° |
| C5 | C6 | HC61 | 110.7° | 109.5° |
| C5 | C6 | HC62 | 110.7° | 109.5° |
| C6 | C5 | C3 | 112.2° | 109.5° |
| C6 | C5 | HC51 | 111.3° | 109.5° |
| C6 | C5 | HC52 | 111.2° | 109.5° |
| HC61 | C6 | HC62 | 99.6° | 109.5° |
| C3 | C5 | HC51 | 111.2° | 109.5° |
| C3 | C5 | HC52 | 111.2° | 109.5° |
| C5 | C3 | C4 | 113.5° | 120.0° |
| C5 | C3 | C2 | 122.1° | 120.0° |
| HC51 | C5 | HC52 | 99.1° | 109.4° |
| C4 | C3 | C2 | 124.3° | 120.0° |
| C3 | C4 | HC41 | 113.5° | 109.5° |
| C3 | C4 | HC42 | 110.7° | 109.5° |
| C3 | C4 | HC43 | 110.7° | 109.5° |
| C3 | C2 | C1 | 125.8° | 120.0° |
| C3 | C2 | HC2 | 111.6° | 120.1° |
| HC41 | C4 | HC42 | 110.8° | 109.4° |
| HC41 | C4 | HC43 | 110.7° | 109.5° |
| HC42 | C4 | HC43 | 99.6° | 109.5° |
| C1 | C2 | HC2 | 122.7° | 119.9° |
| C2 | C1 | O1 | 108.8° | 109.5° |
| C2 | C1 | HC11 | 112.5° | 109.5° |
| C2 | C1 | HC12 | 112.4° | 109.4° |
| O1 | C1 | HC11 | 112.4° | 109.5° |
| O1 | C1 | HC12 | 112.4° | 109.5° |
| C1 | O1 | PA | 117.2° | 123.1° |
| HC11 | C1 | HC12 | 98.0° | 109.4° |
| O1 | PA | O1A | 114.3° | 109.5° |
| O1 | PA | O3A | 105.4° | 109.5° |
| O1 | PA | O2A | 105.2° | 109.5° |
| O1A | PA | O3A | 111.9° | 109.5° |
| O1A | PA | O2A | 111.8° | 109.4° |
| PA | O1A | H1AO | 114.3° | 114.0° |
| O3A | PA | O2A | 107.7° | 109.5° |
| PA | O3A | PB | 132.3° | 134.0° |
| O3A | PB | O1B | 113.3° | 109.4° |
| O3A | PB | O2B | 102.4° | 109.5° |
| O3A | PB | O3B | 104.4° | 109.5° |
| O1B | PB | O2B | 114.1° | 109.4° |
| O1B | PB | O3B | 112.9° | 109.5° |
| PB | O1B | H1BO | 113.3° | 114.0° |
| O2B | PB | O3B | 108.9° | 109.5° |
| PB | O2B | H2BO | 102.3° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C18 | C20 | H201 | H202 | 125.3° | 120.0° |
| C18 | C20 | H201 | H203 | 125.3° | 120.1° |
| C18 | C20 | H202 | H203 | 116.4° | 120.1° |
| C20 | C18 | C19 | C17 | 179.8° | 180.0° |
| C20 | C18 | C19 | H191 | 180.0° | 90.0° |
| C20 | C18 | C19 | H192 | 54.7° | 150.0° |
| C20 | C18 | C19 | H193 | 54.7° | 30.0° |
| C20 | C18 | C17 | C16 | 178.9° | 0.0° |
| C20 | C18 | C17 | H17 | 1.0° | 180.0° |
| H201 | C20 | H202 | H203 | 116.3° | 120.0° |
| H201 | C20 | C18 | C19 | 180.0° | 0.0° |
| H201 | C20 | C18 | C17 | 0.1° | 179.9° |
| H202 | C20 | C18 | C19 | 54.7° | 119.9° |
| H202 | C20 | C18 | C17 | 125.1° | 60.0° |
| H203 | C20 | C18 | C19 | 54.8° | 120.0° |
| H203 | C20 | C18 | C17 | 125.4° | 60.0° |
| C18 | C19 | H191 | H192 | 125.2° | 120.0° |
| C18 | C19 | H191 | H193 | 125.3° | 120.0° |
| C18 | C19 | H192 | H193 | 116.4° | 120.0° |
| C19 | C18 | C17 | C16 | 0.9° | 180.0° |
| C19 | C18 | C17 | H17 | 179.1° | 0.0° |
| H191 | C19 | H192 | H193 | 116.4° | 120.0° |
| H191 | C19 | C18 | C17 | 0.2° | 90.0° |
| H192 | C19 | C18 | C17 | 125.4° | 30.0° |
| H193 | C19 | C18 | C17 | 125.1° | 150.0° |
| C18 | C17 | C16 | H17 | 180.0° | 180.0° |
| C18 | C17 | C16 | C15 | 177.9° | 125.0° |
| C18 | C17 | C16 | H161 | 52.7° | 115.0° |
| C18 | C17 | C16 | H162 | 56.8° | 5.0° |
| C17 | C16 | C15 | H161 | 125.2° | 120.1° |
| C17 | C16 | C15 | H162 | 125.2° | 120.0° |
| C17 | C16 | H161 | H162 | 117.4° | 120.0° |
| C17 | C16 | C15 | C13 | 78.4° | 180.0° |
| C17 | C16 | C15 | H151 | 156.4° | 59.9° |
| C17 | C16 | C15 | H152 | 46.9° | 60.1° |
| H17 | C17 | C16 | C15 | 2.1° | 55.0° |
| H17 | C17 | C16 | H161 | 127.4° | 65.0° |
| H17 | C17 | C16 | H162 | 123.1° | 175.0° |
| C15 | C16 | H161 | H162 | 117.5° | 119.9° |
| C16 | C15 | C13 | C14 | 108.4° | 84.9° |
| C16 | C15 | C13 | H151 | 125.3° | 120.1° |
| C16 | C15 | C13 | H152 | 125.2° | 119.9° |
| C16 | C15 | C13 | C12 | 71.5° | 95.1° |
| C16 | C15 | H151 | H152 | 117.5° | 119.9° |
| H161 | C16 | C15 | C13 | 46.9° | 59.9° |
| H161 | C16 | C15 | H151 | 78.4° | NaN° |
| H161 | C16 | C15 | H152 | 172.1° | 60.0° |
| H162 | C16 | C15 | C13 | 156.4° | 60.0° |
| H162 | C16 | C15 | H151 | 31.1° | 60.1° |
| H162 | C16 | C15 | H152 | 78.4° | 180.0° |
| C13 | C14 | H141 | H142 | 125.4° | 120.0° |
| C13 | C14 | H141 | H143 | 125.3° | 120.0° |
| C13 | C14 | H142 | H143 | 116.5° | 120.0° |
| C14 | C13 | C15 | C12 | 179.9° | 180.0° |
| C14 | C13 | C15 | H151 | 126.3° | 155.0° |
| C14 | C13 | C15 | H152 | 16.9° | 35.0° |
| C14 | C13 | C12 | C11 | 0.2° | 5.5° |
| C14 | C13 | C12 | H12 | 179.7° | 174.5° |
| H141 | C14 | H142 | H143 | 116.3° | 120.0° |
| H141 | C14 | C13 | C15 | 180.0° | 5.1° |
| H141 | C14 | C13 | C12 | 0.1° | 174.9° |
| H142 | C14 | C13 | C15 | 54.7° | 115.0° |
| H142 | C14 | C13 | C12 | 125.4° | 65.1° |
| H143 | C14 | C13 | C15 | 54.8° | 125.1° |
| H143 | C14 | C13 | C12 | 125.1° | 54.9° |
| C13 | C15 | H151 | H152 | 117.5° | 120.0° |
| C15 | C13 | C12 | C11 | 179.9° | 174.5° |
| C15 | C13 | C12 | H12 | 0.2° | 5.4° |
| C12 | C13 | C15 | H151 | 53.8° | 25.0° |
| C12 | C13 | C15 | H152 | 163.2° | 145.0° |
| C13 | C12 | C11 | H12 | 180.0° | 180.0° |
| C13 | C12 | C11 | C9 | 179.3° | 125.4° |
| C13 | C12 | C11 | H111 | 54.0° | 114.6° |
| C13 | C12 | C11 | H112 | 55.4° | 5.4° |
| C12 | C11 | C9 | H111 | 125.3° | 120.0° |
| C12 | C11 | C9 | H112 | 125.3° | 120.1° |
| C12 | C11 | H111 | H112 | 117.3° | 120.0° |
| C12 | C11 | C9 | C8 | 178.8° | 180.0° |
| C12 | C11 | C9 | HC91 | 56.0° | 60.1° |
| C12 | C11 | C9 | HC92 | 53.5° | 60.0° |
| H12 | C12 | C11 | C9 | 0.7° | 54.5° |
| H12 | C12 | C11 | H111 | 126.0° | 65.4° |
| H12 | C12 | C11 | H112 | 124.6° | 174.6° |
| C9 | C11 | H111 | H112 | 117.3° | 120.0° |
| C11 | C9 | C8 | HC91 | 125.2° | 120.0° |
| C11 | C9 | C8 | HC92 | 125.2° | 120.0° |
| C11 | C9 | HC91 | HC92 | 116.4° | 120.0° |
| C11 | C9 | C8 | C10 | 104.4° | 85.0° |
| C11 | C9 | C8 | C7 | 76.4° | 95.0° |
| H111 | C11 | C9 | C8 | 53.5° | 60.0° |
| H111 | C11 | C9 | HC91 | 178.7° | 180.0° |
| H111 | C11 | C9 | HC92 | 71.7° | 60.0° |
| H112 | C11 | C9 | C8 | 55.9° | 59.9° |
| H112 | C11 | C9 | HC91 | 69.3° | 60.0° |
| H112 | C11 | C9 | HC92 | 178.8° | 180.0° |
| C8 | C9 | HC91 | HC92 | 116.4° | 120.0° |
| C9 | C8 | C10 | C7 | 179.2° | 180.0° |
| C9 | C8 | C10 | H101 | 180.0° | 5.1° |
| C9 | C8 | C10 | H102 | 54.8° | 114.9° |
| C9 | C8 | C10 | H103 | 54.7° | 125.1° |
| C9 | C8 | C7 | C6 | 179.1° | 174.5° |
| C9 | C8 | C7 | HC7 | 0.9° | 5.4° |
| HC91 | C9 | C8 | C10 | 20.8° | 155.0° |
| HC91 | C9 | C8 | C7 | 158.4° | 25.0° |
| HC92 | C9 | C8 | C10 | 130.4° | 35.0° |
| HC92 | C9 | C8 | C7 | 48.9° | 145.0° |
| C8 | C10 | H101 | H102 | 125.2° | 120.0° |
| C8 | C10 | H101 | H103 | 125.3° | 120.1° |
| C8 | C10 | H102 | H103 | 116.6° | 120.0° |
| C10 | C8 | C7 | C6 | 0.1° | 5.5° |
| C10 | C8 | C7 | HC7 | 179.9° | 174.6° |
| C7 | C8 | C10 | H101 | 0.8° | 174.9° |
| C7 | C8 | C10 | H102 | 126.0° | 65.1° |
| C7 | C8 | C10 | H103 | 124.5° | 54.9° |
| C8 | C7 | C6 | HC7 | 180.0° | 179.9° |
| C8 | C7 | C6 | C5 | 120.2° | 125.4° |
| C8 | C7 | C6 | HC61 | 5.0° | 114.6° |
| C8 | C7 | C6 | HC62 | 114.5° | 5.4° |
| H101 | C10 | H102 | H103 | 116.5° | 119.9° |
| C7 | C6 | C5 | HC61 | 125.2° | 119.9° |
| C7 | C6 | C5 | HC62 | 125.3° | 120.0° |
| C7 | C6 | HC61 | HC62 | 116.6° | 120.0° |
| C7 | C6 | C5 | C3 | 168.2° | 180.0° |
| C7 | C6 | C5 | HC51 | 66.5° | 60.0° |
| C7 | C6 | C5 | HC52 | 43.0° | 59.9° |
| HC7 | C7 | C6 | C5 | 59.7° | 54.5° |
| HC7 | C7 | C6 | HC61 | 175.1° | 65.5° |
| HC7 | C7 | C6 | HC62 | 65.6° | 174.5° |
| C5 | C6 | HC61 | HC62 | 116.6° | 120.0° |
| C6 | C5 | C3 | HC51 | 125.3° | 120.0° |
| C6 | C5 | C3 | HC52 | 125.3° | 120.0° |
| C6 | C5 | HC51 | HC52 | 117.1° | 120.0° |
| C6 | C5 | C3 | C4 | 98.0° | 85.1° |
| C6 | C5 | C3 | C2 | 81.8° | 95.0° |
| HC61 | C6 | C5 | C3 | 43.0° | 60.0° |
| HC61 | C6 | C5 | HC51 | 168.3° | 179.9° |
| HC61 | C6 | C5 | HC52 | 82.2° | 60.0° |
| HC62 | C6 | C5 | C3 | 66.5° | 60.0° |
| HC62 | C6 | C5 | HC51 | 58.8° | 60.0° |
| HC62 | C6 | C5 | HC52 | 168.3° | 180.0° |
| C3 | C5 | HC51 | HC52 | 117.0° | 120.0° |
| C5 | C3 | C4 | C2 | 179.8° | 179.9° |
| C5 | C3 | C4 | HC41 | 179.9° | 90.1° |
| C5 | C3 | C4 | HC42 | 54.7° | 150.0° |
| C5 | C3 | C4 | HC43 | 54.8° | 30.0° |
| C5 | C3 | C2 | C1 | 179.9° | 180.0° |
| C5 | C3 | C2 | HC2 | 0.2° | 0.0° |
| HC51 | C5 | C3 | C4 | 27.3° | 155.0° |
| HC51 | C5 | C3 | C2 | 152.9° | 25.0° |
| HC52 | C5 | C3 | C4 | 136.7° | 35.0° |
| HC52 | C5 | C3 | C2 | 43.5° | 145.0° |
| C3 | C4 | HC41 | HC42 | 125.3° | 120.0° |
| C3 | C4 | HC41 | HC43 | 125.2° | 120.0° |
| C3 | C4 | HC42 | HC43 | 116.6° | 120.1° |
| C4 | C3 | C2 | C1 | 0.1° | 0.0° |
| C4 | C3 | C2 | HC2 | 179.9° | 180.0° |
| C2 | C3 | C4 | HC41 | 0.2° | 90.0° |
| C2 | C3 | C4 | HC42 | 125.1° | 29.9° |
| C2 | C3 | C4 | HC43 | 125.4° | 150.0° |
| C3 | C2 | C1 | HC2 | 180.0° | 180.0° |
| C3 | C2 | C1 | O1 | 179.6° | 135.0° |
| C3 | C2 | C1 | HC11 | 54.4° | 104.9° |
| C3 | C2 | C1 | HC12 | 55.2° | 15.0° |
| HC41 | C4 | HC42 | HC43 | 116.6° | 120.0° |
| C2 | C1 | O1 | HC11 | 125.3° | 120.1° |
| C2 | C1 | O1 | HC12 | 125.2° | 120.0° |
| C2 | C1 | HC11 | HC12 | 118.4° | 119.9° |
| C2 | C1 | O1 | PA | 150.0° | 180.0° |
| HC2 | C2 | C1 | O1 | 0.4° | 45.0° |
| HC2 | C2 | C1 | HC11 | 125.7° | 75.1° |
| HC2 | C2 | C1 | HC12 | 124.8° | 165.0° |
| O1 | C1 | HC11 | HC12 | 118.3° | 120.0° |
| C1 | O1 | PA | O1A | 57.8° | 65.0° |
| C1 | O1 | PA | O3A | 65.5° | 175.0° |
| C1 | O1 | PA | O2A | 179.2° | 55.0° |
| HC11 | C1 | O1 | PA | 24.7° | 59.9° |
| HC12 | C1 | O1 | PA | 84.8° | 60.0° |
| O1 | PA | O1A | O3A | 119.7° | 120.0° |
| O1 | PA | O1A | O2A | 119.3° | 120.0° |
| O1 | PA | O3A | O2A | 111.9° | 120.0° |
| O1 | PA | O1A | H1AO | 180.0° | 60.0° |
| O1 | PA | O3A | PB | 178.7° | 160.0° |
| O1A | PA | O3A | O2A | 123.3° | 120.0° |
| O1A | PA | O3A | PB | 53.9° | 80.0° |
| O3A | PA | O1A | H1AO | 60.3° | 60.0° |
| PA | O3A | PB | O1B | 0.7° | 165.0° |
| PA | O3A | PB | O2B | 122.7° | 75.0° |
| PA | O3A | PB | O3B | 123.8° | 45.1° |
| O2A | PA | O1A | H1AO | 60.7° | 180.0° |
| O2A | PA | O3A | PB | 69.4° | 40.0° |
| O3A | PB | O1B | O2B | 116.6° | 120.0° |
| O3A | PB | O1B | O3B | 118.4° | 120.0° |
| O3A | PB | O2B | O3B | 110.1° | 120.0° |
| O3A | PB | O1B | H1BO | 180.0° | 180.0° |
| O3A | PB | O2B | H2BO | 180.0° | 59.9° |
| O1B | PB | O2B | O3B | 127.1° | 120.0° |
| O1B | PB | O2B | H2BO | 57.2° | 60.0° |
| O2B | PB | O1B | H1BO | 63.4° | 60.0° |
| O3B | PB | O1B | H1BO | 61.6° | 60.0° |
| O3B | PB | O2B | H2BO | 69.9° | 180.0° |
