X13
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C4 | S18 | sing | 1.81Å | 1.77Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| C16 | N1 | sing | 1.47Å | 1.48Å | |
| N1 | C17 | sing | 1.47Å | 1.47Å | |
| N1 | C18 | sing | 1.47Å | 1.47Å | |
| N1 | C19 | sing | 1.47Å | 1.47Å | |
| C4 | H41C | sing | 1.09Å | 1.10Å | |
| C4 | H42C | sing | 1.09Å | 1.10Å | |
| C5 | H51C | sing | 1.09Å | 1.10Å | |
| C5 | H52C | sing | 1.09Å | 1.10Å | |
| C6 | H61C | sing | 1.09Å | 1.10Å | |
| C6 | H62C | sing | 1.09Å | 1.10Å | |
| C7 | H71C | sing | 1.09Å | 1.10Å | |
| C7 | H72C | sing | 1.09Å | 1.10Å | |
| C8 | H81C | sing | 1.09Å | 1.10Å | |
| C8 | H82C | sing | 1.09Å | 1.10Å | |
| C9 | H91C | sing | 1.09Å | 1.10Å | |
| C9 | H92C | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C17 | H173 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | H183 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C19 | H193 | sing | 1.09Å | 1.10Å | |
| S18 | S19 | sing | 2.05Å | 43.85Å | |
| S19 | O1 | doub | 1.42Å | 0.00Å | |
| S19 | O2 | doub | 1.42Å | 0.00Å | |
| C20 | S19 | sing | 1.81Å | 0.00Å | |
| C20 | H201 | sing | 1.09Å | 0.00Å | |
| C20 | H202 | sing | 1.09Å | 0.00Å | |
| C20 | H203 | sing | 1.09Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C4 | S18 | 110.7° | 109.5° |
| C4 | C5 | C6 | 112.8° | 109.5° |
| C5 | C4 | H41C | 109.0° | 109.5° |
| C5 | C4 | H42C | 108.7° | 109.5° |
| C4 | C5 | H51C | 108.4° | 109.5° |
| C4 | C5 | H52C | 107.6° | 109.5° |
| S18 | C4 | H41C | 109.1° | 109.5° |
| S18 | C4 | H42C | 108.8° | 109.5° |
| C4 | S18 | S19 | 45.1° | 103.0° |
| C5 | C6 | C7 | 110.4° | 109.5° |
| C6 | C5 | H51C | 108.4° | 109.4° |
| C6 | C5 | H52C | 107.6° | 109.5° |
| C5 | C6 | H61C | 109.2° | 109.5° |
| C5 | C6 | H62C | 108.9° | 109.5° |
| C6 | C7 | C8 | 113.4° | 109.5° |
| C7 | C6 | H61C | 109.1° | 109.4° |
| C7 | C6 | H62C | 108.9° | 109.5° |
| C6 | C7 | H71C | 108.2° | 109.5° |
| C6 | C7 | H72C | 107.3° | 109.5° |
| C7 | C8 | C9 | 110.5° | 109.5° |
| C8 | C7 | H71C | 108.2° | 109.4° |
| C8 | C7 | H72C | 107.3° | 109.5° |
| C7 | C8 | H81C | 109.1° | 109.5° |
| C7 | C8 | H82C | 108.9° | 109.5° |
| C8 | C9 | C10 | 112.1° | 109.5° |
| C9 | C8 | H81C | 109.1° | 109.4° |
| C9 | C8 | H82C | 108.9° | 109.5° |
| C8 | C9 | H91C | 108.6° | 109.4° |
| C8 | C9 | H92C | 108.0° | 109.5° |
| C9 | C10 | C11 | 110.7° | 109.4° |
| C10 | C9 | H91C | 108.6° | 109.5° |
| C10 | C9 | H92C | 108.0° | 109.5° |
| C9 | C10 | H101 | 109.1° | 109.5° |
| C9 | C10 | H102 | 108.8° | 109.4° |
| C10 | C11 | C12 | 112.7° | 109.4° |
| C11 | C10 | H101 | 109.1° | 109.5° |
| C11 | C10 | H102 | 108.8° | 109.5° |
| C10 | C11 | H111 | 108.4° | 109.5° |
| C10 | C11 | H112 | 107.7° | 109.4° |
| C11 | C12 | C13 | 108.7° | 109.5° |
| C12 | C11 | H111 | 108.4° | 109.5° |
| C12 | C11 | H112 | 107.7° | 109.5° |
| C11 | C12 | H121 | 109.8° | 109.5° |
| C11 | C12 | H122 | 109.9° | 109.5° |
| C12 | C13 | C14 | 110.7° | 109.5° |
| C13 | C12 | H121 | 109.7° | 109.4° |
| C13 | C12 | H122 | 109.9° | 109.5° |
| C12 | C13 | H131 | 109.0° | 109.5° |
| C12 | C13 | H132 | 108.8° | 109.5° |
| C13 | C14 | C15 | 111.3° | 109.5° |
| C14 | C13 | H131 | 109.1° | 109.4° |
| C14 | C13 | H132 | 108.7° | 109.4° |
| C13 | C14 | H141 | 108.9° | 109.5° |
| C13 | C14 | H142 | 108.4° | 109.5° |
| C14 | C15 | C16 | 111.4° | 109.5° |
| C15 | C14 | H141 | 108.9° | 109.4° |
| C15 | C14 | H142 | 108.4° | 109.5° |
| C14 | C15 | H151 | 108.8° | 109.4° |
| C14 | C15 | H152 | 108.4° | 109.5° |
| C15 | C16 | N1 | 113.7° | 109.5° |
| C16 | C15 | H151 | 108.8° | 109.5° |
| C16 | C15 | H152 | 108.4° | 109.5° |
| C15 | C16 | H161 | 108.1° | 109.5° |
| C15 | C16 | H162 | 107.1° | 109.4° |
| C16 | N1 | C17 | 109.0° | 109.5° |
| C16 | N1 | C18 | 111.4° | 109.5° |
| C16 | N1 | C19 | 109.3° | 109.5° |
| N1 | C16 | H161 | 108.1° | 109.5° |
| N1 | C16 | H162 | 107.1° | 109.5° |
| C17 | N1 | C18 | 108.4° | 109.5° |
| C17 | N1 | C19 | 108.3° | 109.4° |
| N1 | C17 | H171 | 109.5° | 109.5° |
| N1 | C17 | H172 | 109.5° | 109.5° |
| N1 | C17 | H173 | 109.5° | 109.5° |
| C18 | N1 | C19 | 110.3° | 109.5° |
| N1 | C18 | H181 | 109.5° | 109.4° |
| N1 | C18 | H182 | 109.5° | 109.5° |
| N1 | C18 | H183 | 109.5° | 109.4° |
| N1 | C19 | H191 | 109.5° | 109.5° |
| N1 | C19 | H192 | 109.5° | 109.4° |
| N1 | C19 | H193 | 109.5° | 109.4° |
| H41C | C4 | H42C | 110.5° | 109.5° |
| H51C | C5 | H52C | 112.1° | 109.5° |
| H61C | C6 | H62C | 110.2° | 109.5° |
| H71C | C7 | H72C | 112.6° | 109.5° |
| H81C | C8 | H82C | 110.2° | 109.4° |
| H91C | C9 | H92C | 111.5° | 109.5° |
| H101 | C10 | H102 | 110.4° | 109.5° |
| H111 | C11 | H112 | 112.0° | 109.5° |
| H121 | C12 | H122 | 108.9° | 109.5° |
| H131 | C13 | H132 | 110.5° | 109.5° |
| H141 | C14 | H142 | 110.9° | 109.5° |
| H151 | C15 | H152 | 111.0° | 109.5° |
| H161 | C16 | H162 | 112.8° | 109.5° |
| H171 | C17 | H172 | 109.5° | 109.5° |
| H171 | C17 | H173 | 109.5° | 109.4° |
| H172 | C17 | H173 | 109.5° | 109.4° |
| H181 | C18 | H182 | 109.5° | 109.5° |
| H181 | C18 | H183 | 109.4° | 109.5° |
| H182 | C18 | H183 | 109.5° | 109.5° |
| H191 | C19 | H192 | 109.5° | 109.5° |
| H191 | C19 | H193 | 109.5° | 109.5° |
| H192 | C19 | H193 | 109.5° | 109.5° |
| S18 | S19 | O1 | 90.0° | 104.3° |
| S18 | S19 | O2 | 90.0° | 104.3° |
| S18 | S19 | C20 | 90.0° | 104.4° |
| O1 | S19 | O2 | 90.0° | 121.1° |
| O1 | S19 | C20 | 90.0° | 110.5° |
| O2 | S19 | C20 | 90.0° | 110.5° |
| S19 | C20 | H201 | 90.0° | 109.5° |
| S19 | C20 | H202 | 90.0° | 109.4° |
| S19 | C20 | H203 | 90.0° | 109.4° |
| H201 | C20 | H202 | 90.0° | 109.5° |
| H201 | C20 | H203 | 90.0° | 109.5° |
| H202 | C20 | H203 | 90.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C4 | S18 | H41C | 120.0° | 120.0° |
| C5 | C4 | S18 | H42C | 119.4° | 120.0° |
| C4 | C5 | C6 | H51C | 120.0° | 120.0° |
| C4 | C5 | C6 | H52C | 118.6° | 120.0° |
| C4 | C5 | C6 | C7 | 129.5° | 180.0° |
| C5 | C4 | H41C | H42C | 119.5° | 120.0° |
| C4 | C5 | H51C | H52C | 118.7° | 120.0° |
| C4 | C5 | C6 | H61C | 110.5° | 60.0° |
| C4 | C5 | C6 | H62C | 9.9° | 60.0° |
| C5 | C4 | S18 | S19 | 103.0° | 70.0° |
| S18 | C4 | C5 | C6 | 178.6° | 180.0° |
| S18 | C4 | H41C | H42C | 119.5° | 120.0° |
| S18 | C4 | C5 | H51C | 61.4° | 60.0° |
| S18 | C4 | C5 | H52C | 60.1° | 60.0° |
| C4 | S18 | S19 | O1 | 90.0° | 168.9° |
| C4 | S18 | S19 | O2 | 90.0° | 41.0° |
| C4 | S18 | S19 | C20 | 90.0° | 75.0° |
| C5 | C6 | C7 | H61C | 120.0° | 120.0° |
| C5 | C6 | C7 | H62C | 119.6° | 120.0° |
| C5 | C6 | C7 | C8 | 168.9° | 180.0° |
| C6 | C5 | C4 | H41C | 61.4° | 60.0° |
| C6 | C5 | C4 | H42C | 59.2° | 60.0° |
| C6 | C5 | H51C | H52C | 118.7° | 120.0° |
| C5 | C6 | H61C | H62C | 119.6° | 120.0° |
| C5 | C6 | C7 | H71C | 71.1° | 60.0° |
| C5 | C6 | C7 | H72C | 50.6° | 60.0° |
| C6 | C7 | C8 | H71C | 120.0° | 120.0° |
| C6 | C7 | C8 | H72C | 118.3° | 120.0° |
| C6 | C7 | C8 | C9 | 169.1° | 180.0° |
| C7 | C6 | C5 | H51C | 9.5° | 60.0° |
| C7 | C6 | C5 | H52C | 111.9° | 60.0° |
| C7 | C6 | H61C | H62C | 119.6° | 120.0° |
| C6 | C7 | H71C | H72C | 118.4° | 120.1° |
| C6 | C7 | C8 | H81C | 70.9° | 60.0° |
| C6 | C7 | C8 | H82C | 49.5° | 59.9° |
| C7 | C8 | C9 | H81C | 120.0° | 120.0° |
| C7 | C8 | C9 | H82C | 119.6° | 120.1° |
| C7 | C8 | C9 | C10 | 169.0° | 180.0° |
| C8 | C7 | C6 | H61C | 48.9° | 60.0° |
| C8 | C7 | C6 | H62C | 71.5° | 60.0° |
| C8 | C7 | H71C | H72C | 118.4° | 120.0° |
| C7 | C8 | H81C | H82C | 119.6° | 120.0° |
| C7 | C8 | C9 | H91C | 49.0° | 60.0° |
| C7 | C8 | C9 | H92C | 72.1° | 60.0° |
| C8 | C9 | C10 | H91C | 120.0° | 120.0° |
| C8 | C9 | C10 | H92C | 118.9° | 120.0° |
| C8 | C9 | C10 | C11 | 103.2° | 180.0° |
| C9 | C8 | C7 | H71C | 49.1° | 60.0° |
| C9 | C8 | C7 | H72C | 72.6° | 60.0° |
| C9 | C8 | H81C | H82C | 119.6° | 120.0° |
| C8 | C9 | H91C | H92C | 118.9° | 119.9° |
| C8 | C9 | C10 | H101 | 16.8° | 60.0° |
| C8 | C9 | C10 | H102 | 137.3° | 60.0° |
| C9 | C10 | C11 | H101 | 120.0° | 120.0° |
| C9 | C10 | C11 | H102 | 119.5° | 120.0° |
| C9 | C10 | C11 | C12 | 169.8° | 180.0° |
| C10 | C9 | C8 | H81C | 71.0° | 60.0° |
| C10 | C9 | C8 | H82C | 49.4° | 59.9° |
| C10 | C9 | H91C | H92C | 118.9° | 120.0° |
| C9 | C10 | H101 | H102 | 119.5° | 120.0° |
| C9 | C10 | C11 | H111 | 70.2° | 60.0° |
| C9 | C10 | C11 | H112 | 51.2° | 60.0° |
| C10 | C11 | C12 | H111 | 120.0° | 120.0° |
| C10 | C11 | C12 | H112 | 118.6° | 120.0° |
| C10 | C11 | C12 | C13 | 172.9° | 180.0° |
| C11 | C10 | C9 | H91C | 136.8° | 60.0° |
| C11 | C10 | C9 | H92C | 15.7° | 60.0° |
| C11 | C10 | H101 | H102 | 119.5° | 120.1° |
| C10 | C11 | H111 | H112 | 118.7° | 120.0° |
| C10 | C11 | C12 | H121 | 52.9° | 60.0° |
| C10 | C11 | C12 | H122 | 66.8° | 60.1° |
| C11 | C12 | C13 | H121 | 120.0° | 120.0° |
| C11 | C12 | C13 | H122 | 120.3° | 120.0° |
| C11 | C12 | C13 | C14 | 174.0° | 180.0° |
| C12 | C11 | C10 | H101 | 49.8° | 60.0° |
| C12 | C11 | C10 | H102 | 70.7° | 60.0° |
| C12 | C11 | H111 | H112 | 118.7° | 120.0° |
| C11 | C12 | H121 | H122 | 120.3° | 120.1° |
| C11 | C12 | C13 | H131 | 66.0° | 60.0° |
| C11 | C12 | C13 | H132 | 54.5° | 60.0° |
| C12 | C13 | C14 | H131 | 120.0° | 120.0° |
| C12 | C13 | C14 | H132 | 119.4° | 120.0° |
| C12 | C13 | C14 | C15 | 148.3° | 180.0° |
| C13 | C12 | C11 | H111 | 67.1° | 60.0° |
| C13 | C12 | C11 | H112 | 54.3° | 60.0° |
| C13 | C12 | H121 | H122 | 120.4° | 120.0° |
| C12 | C13 | H131 | H132 | 119.5° | 120.1° |
| C12 | C13 | C14 | H141 | 28.3° | 60.0° |
| C12 | C13 | C14 | H142 | 92.4° | 60.0° |
| C13 | C14 | C15 | H141 | 120.0° | 120.0° |
| C13 | C14 | C15 | H142 | 119.2° | 120.0° |
| C13 | C14 | C15 | C16 | 159.7° | 180.0° |
| C14 | C13 | C12 | H121 | 54.0° | 60.0° |
| C14 | C13 | C12 | H122 | 65.7° | 60.0° |
| C14 | C13 | H131 | H132 | 119.5° | 119.9° |
| C13 | C14 | H141 | H142 | 119.2° | 120.0° |
| C13 | C14 | C15 | H151 | 39.7° | 60.0° |
| C13 | C14 | C15 | H152 | 81.1° | 60.0° |
| C14 | C15 | C16 | H151 | 120.0° | 119.9° |
| C14 | C15 | C16 | H152 | 119.2° | 120.0° |
| C14 | C15 | C16 | N1 | 98.8° | 180.0° |
| C15 | C14 | C13 | H131 | 91.7° | 60.0° |
| C15 | C14 | C13 | H132 | 28.9° | 60.0° |
| C15 | C14 | H141 | H142 | 119.2° | 119.9° |
| C14 | C15 | H151 | H152 | 119.2° | 120.0° |
| C14 | C15 | C16 | H161 | 21.2° | 60.0° |
| C14 | C15 | C16 | H162 | 143.0° | 60.0° |
| C15 | C16 | N1 | H161 | 120.0° | 120.0° |
| C15 | C16 | N1 | H162 | 118.1° | 120.0° |
| C15 | C16 | N1 | C17 | 174.0° | 60.0° |
| C15 | C16 | N1 | C18 | 54.4° | 180.0° |
| C15 | C16 | N1 | C19 | 67.8° | 60.0° |
| C16 | C15 | C14 | H141 | 80.3° | 60.0° |
| C16 | C15 | C14 | H142 | 40.5° | 60.0° |
| C16 | C15 | H151 | H152 | 119.2° | 120.1° |
| C15 | C16 | H161 | H162 | 118.3° | 120.0° |
| C16 | N1 | C17 | C18 | 121.4° | 120.0° |
| C16 | N1 | C17 | C19 | 118.9° | 120.0° |
| C16 | N1 | C18 | C19 | 121.6° | 120.0° |
| N1 | C16 | C15 | H151 | 141.1° | 60.1° |
| N1 | C16 | C15 | H152 | 20.3° | 60.0° |
| N1 | C16 | H161 | H162 | 118.3° | 120.0° |
| C16 | N1 | C17 | H171 | 81.1° | 60.0° |
| C16 | N1 | C17 | H172 | 38.9° | 180.0° |
| C16 | N1 | C17 | H173 | 158.9° | 60.0° |
| C16 | N1 | C18 | H181 | 114.0° | 60.0° |
| C16 | N1 | C18 | H182 | 6.0° | 180.0° |
| C16 | N1 | C18 | H183 | 126.0° | 60.0° |
| C16 | N1 | C19 | H191 | 73.3° | 60.0° |
| C16 | N1 | C19 | H192 | 46.7° | 180.0° |
| C16 | N1 | C19 | H193 | 166.7° | 60.0° |
| C17 | N1 | C18 | C19 | 118.4° | 120.0° |
| C17 | N1 | C16 | H161 | 54.0° | 60.0° |
| C17 | N1 | C16 | H162 | 67.8° | 179.9° |
| N1 | C17 | H171 | H172 | 120.0° | 120.0° |
| N1 | C17 | H171 | H173 | 120.0° | 120.0° |
| N1 | C17 | H172 | H173 | 120.0° | 120.0° |
| C17 | N1 | C18 | H181 | 126.0° | 180.0° |
| C17 | N1 | C18 | H182 | 114.0° | 60.0° |
| C17 | N1 | C18 | H183 | 6.0° | 60.0° |
| C17 | N1 | C19 | H191 | 45.4° | 60.0° |
| C17 | N1 | C19 | H192 | 165.4° | 60.0° |
| C17 | N1 | C19 | H193 | 74.6° | 180.0° |
| C18 | N1 | C16 | H161 | 65.6° | 60.0° |
| C18 | N1 | C16 | H162 | 172.5° | 60.0° |
| C18 | N1 | C17 | H171 | 40.3° | 60.0° |
| C18 | N1 | C17 | H172 | 160.3° | 60.0° |
| C18 | N1 | C17 | H173 | 79.7° | 180.0° |
| N1 | C18 | H181 | H182 | 120.0° | 120.0° |
| N1 | C18 | H181 | H183 | 120.0° | 119.9° |
| N1 | C18 | H182 | H183 | 120.0° | 120.0° |
| C18 | N1 | C19 | H191 | 163.9° | 180.0° |
| C18 | N1 | C19 | H192 | 76.1° | 60.0° |
| C18 | N1 | C19 | H193 | 43.9° | 60.0° |
| C19 | N1 | C16 | H161 | 172.2° | 180.0° |
| C19 | N1 | C16 | H162 | 50.4° | 60.0° |
| C19 | N1 | C17 | H171 | 160.1° | 180.0° |
| C19 | N1 | C17 | H172 | 80.0° | 60.0° |
| C19 | N1 | C17 | H173 | 40.0° | 60.0° |
| C19 | N1 | C18 | H181 | 7.6° | 60.0° |
| C19 | N1 | C18 | H182 | 127.6° | 60.0° |
| C19 | N1 | C18 | H183 | 112.4° | 180.0° |
| N1 | C19 | H191 | H192 | 120.0° | 120.0° |
| N1 | C19 | H191 | H193 | 120.0° | 119.9° |
| N1 | C19 | H192 | H193 | 120.0° | 119.9° |
| H41C | C4 | C5 | H51C | 58.6° | 60.0° |
| H41C | C4 | C5 | H52C | 179.9° | NaN° |
| H41C | C4 | S18 | S19 | 17.0° | 50.0° |
| H42C | C4 | C5 | H51C | 179.1° | 180.0° |
| H42C | C4 | C5 | H52C | 59.4° | 60.0° |
| H42C | C4 | S18 | S19 | 137.6° | 170.0° |
| H51C | C5 | C6 | H61C | 129.5° | 180.0° |
| H51C | C5 | C6 | H62C | 110.1° | 60.0° |
| H52C | C5 | C6 | H61C | 8.1° | 60.0° |
| H52C | C5 | C6 | H62C | 128.5° | 180.0° |
| H61C | C6 | C7 | H71C | 168.9° | 180.0° |
| H61C | C6 | C7 | H72C | 69.4° | 60.0° |
| H62C | C6 | C7 | H71C | 48.5° | 60.0° |
| H62C | C6 | C7 | H72C | 170.2° | 180.0° |
| H71C | C7 | C8 | H81C | 169.1° | 180.0° |
| H71C | C7 | C8 | H82C | 70.5° | 60.1° |
| H72C | C7 | C8 | H81C | 47.4° | 60.0° |
| H72C | C7 | C8 | H82C | 167.7° | 180.0° |
| H81C | C8 | C9 | H91C | 169.0° | 180.0° |
| H81C | C8 | C9 | H92C | 47.9° | 60.0° |
| H82C | C8 | C9 | H91C | 70.6° | 60.1° |
| H82C | C8 | C9 | H92C | 168.3° | 180.0° |
| H91C | C9 | C10 | H101 | 103.2° | 180.0° |
| H91C | C9 | C10 | H102 | 17.3° | 60.0° |
| H92C | C9 | C10 | H101 | 135.7° | 60.0° |
| H92C | C9 | C10 | H102 | 103.8° | 180.0° |
| H101 | C10 | C11 | H111 | 169.8° | 180.0° |
| H101 | C10 | C11 | H112 | 68.8° | 60.0° |
| H102 | C10 | C11 | H111 | 49.3° | 60.0° |
| H102 | C10 | C11 | H112 | 170.7° | 180.0° |
| H111 | C11 | C12 | H121 | 172.9° | 179.9° |
| H111 | C11 | C12 | H122 | 53.2° | 60.0° |
| H112 | C11 | C12 | H121 | 65.7° | 59.9° |
| H112 | C11 | C12 | H122 | 174.6° | 180.0° |
| H121 | C12 | C13 | H131 | 174.0° | 180.0° |
| H121 | C12 | C13 | H132 | 65.5° | 59.9° |
| H122 | C12 | C13 | H131 | 54.3° | 60.0° |
| H122 | C12 | C13 | H132 | 174.8° | 180.0° |
| H131 | C13 | C14 | H141 | 148.3° | 180.0° |
| H131 | C13 | C14 | H142 | 27.5° | 60.0° |
| H132 | C13 | C14 | H141 | 91.1° | 60.0° |
| H132 | C13 | C14 | H142 | 148.1° | 180.0° |
| H141 | C14 | C15 | H151 | 159.7° | 179.9° |
| H141 | C14 | C15 | H152 | 38.9° | 60.0° |
| H142 | C14 | C15 | H151 | 79.5° | 60.0° |
| H142 | C14 | C15 | H152 | 159.7° | NaN° |
| H151 | C15 | C16 | H161 | 98.9° | 179.9° |
| H151 | C15 | C16 | H162 | 23.0° | 59.9° |
| H152 | C15 | C16 | H161 | 140.3° | 60.0° |
| H152 | C15 | C16 | H162 | 97.8° | 180.0° |
| H171 | C17 | H172 | H173 | 120.0° | 119.9° |
| H181 | C18 | H182 | H183 | 120.0° | 120.0° |
| H191 | C19 | H192 | H193 | 120.0° | 120.1° |
| S18 | S19 | O1 | O2 | 90.0° | 116.8° |
| S18 | S19 | O1 | C20 | 90.0° | 111.7° |
| S18 | S19 | O2 | C20 | 90.0° | 111.7° |
| S18 | S19 | C20 | H201 | 90.0° | 60.0° |
| S18 | S19 | C20 | H202 | 90.0° | 180.0° |
| S18 | S19 | C20 | H203 | 90.0° | 60.0° |
| O1 | S19 | O2 | C20 | 90.0° | 131.5° |
| O1 | S19 | C20 | H201 | 90.0° | 51.6° |
| O1 | S19 | C20 | H202 | 90.0° | 68.4° |
| O1 | S19 | C20 | H203 | 90.0° | 171.6° |
| O2 | S19 | C20 | H201 | 90.0° | 171.6° |
| O2 | S19 | C20 | H202 | 90.0° | 68.4° |
| O2 | S19 | C20 | H203 | 90.0° | 51.6° |
| S19 | C20 | H201 | H202 | 90.0° | 120.0° |
| S19 | C20 | H201 | H203 | 90.0° | 120.0° |
| S19 | C20 | H202 | H203 | 90.0° | 119.9° |
| H201 | C20 | H202 | H203 | 90.0° | 120.1° |
