XQ9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | S2 | sing | 1.81Å | 1.81Å | |
| S2 | O3 | doub | 1.42Å | 1.43Å | |
| S2 | O4 | doub | 1.42Å | 1.42Å | |
| S2 | N5 | sing | 1.66Å | 1.67Å | |
| N5 | C6 | sing | 1.47Å | 1.48Å | |
| N5 | C10 | sing | 1.47Å | 1.48Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C7 | C8 | sing | 1.53Å | 1.54Å | |
| C8 | C9 | sing | 1.53Å | 1.54Å | |
| C8 | N11 | sing | 1.46Å | 1.47Å | |
| C9 | C10 | sing | 1.54Å | 1.54Å | |
| N11 | C12 | sing | 1.35Å | 1.35Å | |
| C12 | O13 | doub | 1.22Å | 1.22Å | |
| C12 | N14 | sing | 1.35Å | 1.37Å | |
| N14 | C15 | sing | 1.46Å | 1.49Å | |
| C15 | C16 | sing | 1.53Å | 1.56Å | |
| C15 | C20 | sing | 1.53Å | 1.56Å | |
| C15 | C24 | sing | 1.53Å | 1.56Å | |
| C16 | C17 | sing | 1.53Å | 1.55Å | |
| C17 | C18 | sing | 1.53Å | 1.56Å | |
| C17 | C23 | sing | 1.53Å | 1.55Å | |
| C18 | C19 | sing | 1.53Å | 1.55Å | |
| C19 | C20 | sing | 1.53Å | 1.56Å | |
| C19 | C21 | sing | 1.53Å | 1.55Å | |
| C21 | C22 | sing | 1.53Å | 1.55Å | |
| C22 | C23 | sing | 1.53Å | 1.55Å | |
| C22 | C24 | sing | 1.53Å | 1.56Å | |
| C1 | H11C | sing | 1.09Å | 1.10Å | |
| C1 | H12C | sing | 1.09Å | 1.10Å | |
| C1 | H13C | sing | 1.09Å | 1.10Å | |
| C6 | H61C | sing | 1.09Å | 1.10Å | |
| C6 | H62C | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C7 | H71C | sing | 1.09Å | 1.10Å | |
| C7 | H72C | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H91C | sing | 1.09Å | 1.10Å | |
| C9 | H92C | sing | 1.09Å | 1.10Å | |
| N11 | H11 | sing | 0.97Å | 1.00Å | |
| N14 | H14 | sing | 0.97Å | 1.00Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | S2 | O3 | 110.1° | 110.6° |
| C1 | S2 | O4 | 110.4° | 110.6° |
| C1 | S2 | N5 | 103.1° | 104.5° |
| S2 | C1 | H11C | 109.5° | 109.5° |
| S2 | C1 | H12C | 109.4° | 109.5° |
| S2 | C1 | H13C | 109.5° | 109.5° |
| O3 | S2 | O4 | 120.5° | 121.0° |
| O3 | S2 | N5 | 106.4° | 104.2° |
| O4 | S2 | N5 | 104.6° | 104.2° |
| S2 | N5 | C6 | 120.1° | 120.6° |
| S2 | N5 | C10 | 120.7° | 120.6° |
| C6 | N5 | C10 | 119.2° | 118.7° |
| N5 | C6 | C7 | 110.4° | 108.8° |
| N5 | C6 | H61C | 109.2° | 109.6° |
| N5 | C6 | H62C | 109.2° | 109.6° |
| N5 | C10 | C9 | 110.7° | 108.6° |
| N5 | C10 | H101 | 109.2° | 109.6° |
| N5 | C10 | H102 | 109.2° | 109.6° |
| C6 | C7 | C8 | 108.7° | 109.3° |
| C7 | C6 | H61C | 109.2° | 109.6° |
| C7 | C6 | H62C | 109.3° | 109.6° |
| C6 | C7 | H71C | 109.7° | 109.5° |
| C6 | C7 | H72C | 109.7° | 109.5° |
| C7 | C8 | C9 | 109.8° | 109.6° |
| C7 | C8 | N11 | 109.8° | 109.4° |
| C8 | C7 | H71C | 109.6° | 109.5° |
| C8 | C7 | H72C | 109.6° | 109.5° |
| C7 | C8 | H8 | 108.1° | 109.5° |
| C9 | C8 | N11 | 112.0° | 109.5° |
| C8 | C9 | C10 | 109.7° | 109.2° |
| C9 | C8 | H8 | 108.1° | 109.5° |
| C8 | C9 | H91C | 109.4° | 109.5° |
| C8 | C9 | H92C | 109.4° | 109.5° |
| C8 | N11 | C12 | 123.9° | 120.0° |
| N11 | C8 | H8 | 109.0° | 109.4° |
| C8 | N11 | H11 | 118.1° | 120.0° |
| C9 | C10 | H101 | 109.2° | 109.7° |
| C9 | C10 | H102 | 109.2° | 109.6° |
| C10 | C9 | H91C | 109.4° | 109.6° |
| C10 | C9 | H92C | 109.4° | 109.5° |
| N11 | C12 | O13 | 118.2° | 120.0° |
| N11 | C12 | N14 | 119.2° | 120.0° |
| C12 | N11 | H11 | 118.0° | 120.0° |
| O13 | C12 | N14 | 122.6° | 120.0° |
| C12 | N14 | C15 | 129.5° | 120.0° |
| C12 | N14 | H14 | 115.2° | 120.0° |
| N14 | C15 | C16 | 106.7° | 109.5° |
| N14 | C15 | C20 | 109.1° | 109.5° |
| N14 | C15 | C24 | 116.0° | 109.5° |
| C15 | N14 | H14 | 115.2° | 120.0° |
| C16 | C15 | C20 | 108.7° | 109.4° |
| C16 | C15 | C24 | 109.3° | 109.5° |
| C15 | C16 | C17 | 111.0° | 109.5° |
| C15 | C16 | H161 | 109.1° | 109.5° |
| C15 | C16 | H162 | 109.1° | 109.5° |
| C20 | C15 | C24 | 106.9° | 109.5° |
| C15 | C20 | C19 | 110.8° | 109.5° |
| C15 | C20 | H201 | 109.1° | 109.5° |
| C15 | C20 | H202 | 109.1° | 109.4° |
| C15 | C24 | C22 | 111.0° | 109.5° |
| C15 | C24 | H241 | 109.1° | 109.5° |
| C15 | C24 | H242 | 109.1° | 109.5° |
| C16 | C17 | C18 | 109.8° | 109.5° |
| C16 | C17 | C23 | 108.8° | 109.5° |
| C17 | C16 | H161 | 109.1° | 109.5° |
| C17 | C16 | H162 | 109.1° | 109.5° |
| C16 | C17 | H17 | 109.6° | 109.5° |
| C18 | C17 | C23 | 109.6° | 109.4° |
| C17 | C18 | C19 | 109.2° | 109.5° |
| C18 | C17 | H17 | 109.5° | 109.4° |
| C17 | C18 | H181 | 109.6° | 109.5° |
| C17 | C18 | H182 | 109.5° | 109.4° |
| C17 | C23 | C22 | 110.0° | 109.4° |
| C23 | C17 | H17 | 109.5° | 109.5° |
| C17 | C23 | H231 | 109.3° | 109.5° |
| C17 | C23 | H232 | 109.4° | 109.5° |
| C18 | C19 | C20 | 110.3° | 109.5° |
| C18 | C19 | C21 | 108.3° | 109.4° |
| C19 | C18 | H181 | 109.5° | 109.5° |
| C19 | C18 | H182 | 109.5° | 109.4° |
| C18 | C19 | H19 | 109.7° | 109.5° |
| C20 | C19 | C21 | 109.2° | 109.5° |
| C19 | C20 | H201 | 109.1° | 109.5° |
| C19 | C20 | H202 | 109.1° | 109.5° |
| C20 | C19 | H19 | 109.5° | 109.5° |
| C19 | C21 | C22 | 110.3° | 109.4° |
| C21 | C19 | H19 | 109.7° | 109.5° |
| C19 | C21 | H211 | 109.2° | 109.5° |
| C19 | C21 | H212 | 109.2° | 109.5° |
| C21 | C22 | C23 | 108.1° | 109.5° |
| C21 | C22 | C24 | 108.9° | 109.5° |
| C22 | C21 | H211 | 109.3° | 109.5° |
| C22 | C21 | H212 | 109.3° | 109.4° |
| C21 | C22 | H22 | 109.9° | 109.4° |
| C23 | C22 | C24 | 110.0° | 109.5° |
| C22 | C23 | H231 | 109.4° | 109.5° |
| C22 | C23 | H232 | 109.3° | 109.5° |
| C23 | C22 | H22 | 110.0° | 109.4° |
| C22 | C24 | H241 | 109.1° | 109.5° |
| C22 | C24 | H242 | 109.1° | 109.5° |
| C24 | C22 | H22 | 109.9° | 109.5° |
| H11C | C1 | H12C | 109.5° | 109.5° |
| H11C | C1 | H13C | 109.5° | 109.4° |
| H12C | C1 | H13C | 109.5° | 109.5° |
| H61C | C6 | H62C | 109.4° | 109.7° |
| H101 | C10 | H102 | 109.5° | 109.7° |
| H71C | C7 | H72C | 109.5° | 109.5° |
| H91C | C9 | H92C | 109.5° | 109.5° |
| H161 | C16 | H162 | 109.5° | 109.4° |
| H201 | C20 | H202 | 109.5° | 109.5° |
| H241 | C24 | H242 | 109.5° | 109.5° |
| H181 | C18 | H182 | 109.5° | 109.5° |
| H231 | C23 | H232 | 109.5° | 109.5° |
| H211 | C21 | H212 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | S2 | O3 | O4 | 130.3° | 131.6° |
| C1 | S2 | O3 | N5 | 111.1° | 111.7° |
| C1 | S2 | O4 | N5 | 110.3° | 111.7° |
| C1 | S2 | N5 | C6 | 88.0° | 90.0° |
| C1 | S2 | N5 | C10 | 90.0° | 90.3° |
| S2 | C1 | H11C | H12C | 120.0° | 120.0° |
| S2 | C1 | H11C | H13C | 120.0° | 119.9° |
| S2 | C1 | H12C | H13C | 120.0° | 120.0° |
| O3 | S2 | O4 | N5 | 119.5° | 116.7° |
| O3 | S2 | N5 | C6 | 156.1° | 26.1° |
| O3 | S2 | N5 | C10 | 25.9° | 153.7° |
| O3 | S2 | C1 | H11C | 180.0° | 51.6° |
| O3 | S2 | C1 | H12C | 60.0° | 171.6° |
| O3 | S2 | C1 | H13C | 60.0° | 68.4° |
| O4 | S2 | N5 | C6 | 27.5° | 153.9° |
| O4 | S2 | N5 | C10 | 154.5° | 25.8° |
| O4 | S2 | C1 | H11C | 44.6° | 171.6° |
| O4 | S2 | C1 | H12C | 75.4° | 51.6° |
| O4 | S2 | C1 | H13C | 164.6° | 68.5° |
| S2 | N5 | C6 | C10 | 178.1° | 179.8° |
| S2 | N5 | C6 | C7 | 132.7° | 126.4° |
| S2 | N5 | C10 | C9 | 134.8° | 126.3° |
| N5 | S2 | C1 | H11C | 66.8° | 60.0° |
| N5 | S2 | C1 | H12C | 173.3° | 60.0° |
| N5 | S2 | C1 | H13C | 53.3° | 179.9° |
| S2 | N5 | C6 | H61C | 12.5° | 6.6° |
| S2 | N5 | C6 | H62C | 107.1° | 113.8° |
| S2 | N5 | C10 | H101 | 105.0° | 113.8° |
| S2 | N5 | C10 | H102 | 14.6° | 6.6° |
| N5 | C6 | C7 | H61C | 120.1° | 119.8° |
| N5 | C6 | C7 | H62C | 120.2° | 119.8° |
| N5 | C6 | C7 | C8 | 54.5° | 54.6° |
| C6 | N5 | C10 | C9 | 47.2° | 53.9° |
| N5 | C6 | H61C | H62C | 119.5° | 120.3° |
| C6 | N5 | C10 | H101 | 73.0° | 65.9° |
| C6 | N5 | C10 | H102 | 167.3° | 173.6° |
| N5 | C6 | C7 | H71C | 65.3° | 65.3° |
| N5 | C6 | C7 | H72C | 174.4° | 174.6° |
| C10 | N5 | C6 | C7 | 49.3° | 53.8° |
| N5 | C10 | C9 | C8 | 50.8° | 54.9° |
| N5 | C10 | C9 | H101 | 120.2° | 119.8° |
| N5 | C10 | C9 | H102 | 120.2° | 119.7° |
| C10 | N5 | C6 | H61C | 169.4° | 173.6° |
| C10 | N5 | C6 | H62C | 70.9° | 66.0° |
| N5 | C10 | H101 | H102 | 119.4° | 120.4° |
| N5 | C10 | C9 | H91C | 69.3° | 65.1° |
| N5 | C10 | C9 | H92C | 170.8° | 174.7° |
| C6 | C7 | C8 | H71C | 119.9° | 119.9° |
| C6 | C7 | C8 | H72C | 119.9° | 119.9° |
| C6 | C7 | C8 | C9 | 62.7° | 61.4° |
| C6 | C7 | C8 | N11 | 173.8° | 178.6° |
| C7 | C6 | H61C | H62C | 119.6° | 120.4° |
| C6 | C7 | H71C | H72C | 120.4° | 120.1° |
| C6 | C7 | C8 | H8 | 55.0° | 58.7° |
| C7 | C8 | C9 | N11 | 122.2° | 120.0° |
| C7 | C8 | C9 | H8 | 117.7° | 120.1° |
| C7 | C8 | N11 | H8 | 118.3° | 119.9° |
| C7 | C8 | C9 | C10 | 60.9° | 61.5° |
| C7 | C8 | N11 | C12 | 157.2° | 155.0° |
| C8 | C7 | C6 | H61C | 174.7° | 174.4° |
| C8 | C7 | C6 | H62C | 65.6° | 65.2° |
| C8 | C7 | H71C | H72C | 120.3° | 120.1° |
| C7 | C8 | C9 | H91C | 59.1° | 58.6° |
| C7 | C8 | C9 | H92C | 179.1° | 178.6° |
| C7 | C8 | N11 | H11 | 22.8° | 25.0° |
| C9 | C8 | N11 | H8 | 119.6° | 120.0° |
| C8 | C9 | C10 | H91C | 120.1° | 120.0° |
| C8 | C9 | C10 | H92C | 120.0° | 119.9° |
| C9 | C8 | N11 | C12 | 80.6° | 84.9° |
| C8 | C9 | C10 | H101 | 69.4° | 64.9° |
| C8 | C9 | C10 | H102 | 170.9° | 174.5° |
| C9 | C8 | C7 | H71C | 57.2° | 58.5° |
| C9 | C8 | C7 | H72C | 177.4° | 178.7° |
| C8 | C9 | H91C | H92C | 119.9° | 120.1° |
| C9 | C8 | N11 | H11 | 99.4° | 95.0° |
| N11 | C8 | C9 | C10 | 176.9° | 178.5° |
| C8 | N11 | C12 | H11 | 180.0° | 179.9° |
| C8 | N11 | C12 | O13 | 0.6° | 0.0° |
| C8 | N11 | C12 | N14 | 179.3° | 179.9° |
| N11 | C8 | C7 | H71C | 66.3° | 61.5° |
| N11 | C8 | C7 | H72C | 53.9° | 58.6° |
| N11 | C8 | C9 | H91C | 63.1° | 61.4° |
| N11 | C8 | C9 | H92C | 56.9° | 58.6° |
| C9 | C10 | H101 | H102 | 119.5° | 120.5° |
| C10 | C9 | C8 | H8 | 56.8° | 58.6° |
| C10 | C9 | H91C | H92C | 119.9° | 120.1° |
| N11 | C12 | O13 | N14 | 178.7° | 180.0° |
| N11 | C12 | N14 | C15 | 177.1° | 180.0° |
| C12 | N11 | C8 | H8 | 39.0° | 35.1° |
| N11 | C12 | N14 | H14 | 2.9° | 0.0° |
| O13 | C12 | N14 | C15 | 4.2° | 0.0° |
| O13 | C12 | N11 | H11 | 179.4° | 180.0° |
| O13 | C12 | N14 | H14 | 175.8° | 180.0° |
| C12 | N14 | C15 | H14 | 180.0° | 180.0° |
| C12 | N14 | C15 | C16 | 82.2° | 180.0° |
| C12 | N14 | C15 | C20 | 160.6° | 60.0° |
| C12 | N14 | C15 | C24 | 39.8° | 60.0° |
| N14 | C12 | N11 | H11 | 0.7° | 0.0° |
| N14 | C15 | C16 | C20 | 117.6° | 120.0° |
| N14 | C15 | C16 | C24 | 126.1° | 120.0° |
| N14 | C15 | C20 | C24 | 126.2° | 120.0° |
| N14 | C15 | C16 | C17 | 175.7° | 180.0° |
| N14 | C15 | C20 | C19 | 173.4° | 180.0° |
| N14 | C15 | C24 | C22 | 177.0° | 180.0° |
| N14 | C15 | C16 | H161 | 64.0° | 60.0° |
| N14 | C15 | C16 | H162 | 55.5° | 59.9° |
| N14 | C15 | C20 | H201 | 53.2° | 60.0° |
| N14 | C15 | C20 | H202 | 66.4° | 60.0° |
| N14 | C15 | C24 | H241 | 62.7° | 60.0° |
| N14 | C15 | C24 | H242 | 56.8° | 60.0° |
| C16 | C15 | C20 | C24 | 117.8° | 120.0° |
| C15 | C16 | C17 | H161 | 120.2° | 120.0° |
| C15 | C16 | C17 | H162 | 120.2° | 120.1° |
| C15 | C16 | C17 | C18 | 59.9° | 60.0° |
| C15 | C16 | C17 | C23 | 60.1° | 60.0° |
| C16 | C15 | C20 | C19 | 57.4° | 60.0° |
| C16 | C15 | C24 | C22 | 56.4° | 60.0° |
| C16 | C15 | N14 | H14 | 97.8° | 0.0° |
| C15 | C16 | H161 | H162 | 119.3° | 120.0° |
| C16 | C15 | C20 | H201 | 62.8° | 60.0° |
| C16 | C15 | C20 | H202 | 177.6° | 180.0° |
| C16 | C15 | C24 | H241 | 176.7° | 180.0° |
| C16 | C15 | C24 | H242 | 63.8° | 60.0° |
| C15 | C16 | C17 | H17 | 179.8° | 180.0° |
| C20 | C15 | C16 | C17 | 58.2° | 60.0° |
| C15 | C20 | C19 | C18 | 58.9° | 60.0° |
| C15 | C20 | C19 | H201 | 120.2° | 120.0° |
| C15 | C20 | C19 | H202 | 120.2° | 119.9° |
| C15 | C20 | C19 | C21 | 60.1° | 60.0° |
| C20 | C15 | C24 | C22 | 61.0° | 60.0° |
| C20 | C15 | N14 | H14 | 19.4° | 120.0° |
| C20 | C15 | C16 | H161 | 178.4° | 180.0° |
| C20 | C15 | C16 | H162 | 62.1° | 60.1° |
| C15 | C20 | H201 | H202 | 119.4° | 119.9° |
| C20 | C15 | C24 | H241 | 59.2° | 60.0° |
| C20 | C15 | C24 | H242 | 178.8° | 180.0° |
| C15 | C20 | C19 | H19 | 179.7° | 180.0° |
| C24 | C15 | C16 | C17 | 58.1° | 60.0° |
| C24 | C15 | C20 | C19 | 60.4° | 60.0° |
| C15 | C24 | C22 | C21 | 60.7° | 60.0° |
| C15 | C24 | C22 | C23 | 57.6° | 60.0° |
| C15 | C24 | C22 | H241 | 120.2° | 120.0° |
| C15 | C24 | C22 | H242 | 120.2° | 120.0° |
| C24 | C15 | N14 | H14 | 140.2° | 120.0° |
| C24 | C15 | C16 | H161 | 62.1° | 60.1° |
| C24 | C15 | C16 | H162 | 178.4° | 180.0° |
| C24 | C15 | C20 | H201 | 179.4° | 180.0° |
| C24 | C15 | C20 | H202 | 59.8° | 60.0° |
| C15 | C24 | H241 | H242 | 119.3° | 120.0° |
| C15 | C24 | C22 | H22 | 178.8° | 180.0° |
| C16 | C17 | C18 | C23 | 119.5° | 120.0° |
| C16 | C17 | C18 | H17 | 120.4° | 120.1° |
| C16 | C17 | C23 | H17 | 119.7° | 120.1° |
| C16 | C17 | C18 | C19 | 59.4° | 59.9° |
| C16 | C17 | C23 | C22 | 60.3° | 60.0° |
| C17 | C16 | H161 | H162 | 119.3° | 120.0° |
| C16 | C17 | C18 | H181 | 179.3° | 179.9° |
| C16 | C17 | C18 | H182 | 60.6° | 60.0° |
| C16 | C17 | C23 | H231 | 59.8° | 60.0° |
| C16 | C17 | C23 | H232 | 179.7° | 179.9° |
| C18 | C17 | C23 | H17 | 120.2° | 119.9° |
| C17 | C18 | C19 | H181 | 120.0° | 120.0° |
| C17 | C18 | C19 | H182 | 120.0° | 120.0° |
| C17 | C18 | C19 | C20 | 58.9° | 60.0° |
| C17 | C18 | C19 | C21 | 60.6° | 60.1° |
| C18 | C17 | C23 | C22 | 59.8° | 60.0° |
| C18 | C17 | C16 | H161 | 179.9° | 180.0° |
| C18 | C17 | C16 | H162 | 60.4° | 60.1° |
| C17 | C18 | H181 | H182 | 120.1° | 120.0° |
| C18 | C17 | C23 | H231 | 179.9° | 180.0° |
| C18 | C17 | C23 | H232 | 60.3° | 60.0° |
| C17 | C18 | C19 | H19 | 179.7° | 180.0° |
| C23 | C17 | C18 | C19 | 60.1° | 60.0° |
| C17 | C23 | C22 | C21 | 59.5° | 60.1° |
| C17 | C23 | C22 | H231 | 120.1° | 120.0° |
| C17 | C23 | C22 | H232 | 120.1° | 120.0° |
| C17 | C23 | C22 | C24 | 59.3° | 60.0° |
| C23 | C17 | C16 | H161 | 60.1° | 60.1° |
| C23 | C17 | C16 | H162 | 179.7° | 180.0° |
| C23 | C17 | C18 | H181 | 59.8° | 60.0° |
| C23 | C17 | C18 | H182 | 179.9° | 180.0° |
| C17 | C23 | H231 | H232 | 119.8° | 120.0° |
| C17 | C23 | C22 | H22 | 179.6° | 180.0° |
| C18 | C19 | C20 | C21 | 119.0° | 120.0° |
| C18 | C19 | C20 | H19 | 120.8° | 120.0° |
| C18 | C19 | C21 | H19 | 119.7° | 120.0° |
| C18 | C19 | C21 | C22 | 61.9° | 60.0° |
| C18 | C19 | C20 | H201 | 61.3° | 60.0° |
| C18 | C19 | C20 | H202 | 179.1° | 180.0° |
| C19 | C18 | C17 | H17 | 179.7° | 180.0° |
| C19 | C18 | H181 | H182 | 120.1° | 120.0° |
| C18 | C19 | C21 | H211 | 58.2° | 60.0° |
| C18 | C19 | C21 | H212 | 178.0° | 180.0° |
| C20 | C19 | C21 | H19 | 120.1° | 120.0° |
| C20 | C19 | C21 | C22 | 58.3° | 60.0° |
| C19 | C20 | H201 | H202 | 119.4° | 120.0° |
| C20 | C19 | C18 | H181 | 178.9° | 180.0° |
| C20 | C19 | C18 | H182 | 61.0° | 60.0° |
| C20 | C19 | C21 | H211 | 178.4° | 179.9° |
| C20 | C19 | C21 | H212 | 61.9° | 60.0° |
| C19 | C21 | C22 | H211 | 120.1° | 120.0° |
| C19 | C21 | C22 | H212 | 120.1° | 120.0° |
| C19 | C21 | C22 | C23 | 61.0° | 60.0° |
| C19 | C21 | C22 | C24 | 58.5° | 60.0° |
| C21 | C19 | C20 | H201 | 179.7° | 180.0° |
| C21 | C19 | C20 | H202 | 60.1° | 60.0° |
| C21 | C19 | C18 | H181 | 59.4° | 60.0° |
| C21 | C19 | C18 | H182 | 179.4° | 180.0° |
| C19 | C21 | H211 | H212 | 119.6° | 120.0° |
| C19 | C21 | C22 | H22 | 178.9° | 180.0° |
| C21 | C22 | C23 | C24 | 118.8° | 120.0° |
| C21 | C22 | C23 | H22 | 120.0° | 120.0° |
| C21 | C22 | C24 | H22 | 120.5° | 120.0° |
| C21 | C22 | C24 | H241 | 59.5° | 60.0° |
| C21 | C22 | C24 | H242 | 179.0° | 180.0° |
| C21 | C22 | C23 | H231 | 179.6° | 180.0° |
| C21 | C22 | C23 | H232 | 60.6° | 60.0° |
| C22 | C21 | C19 | H19 | 178.4° | 180.0° |
| C22 | C21 | H211 | H212 | 119.6° | 120.0° |
| C23 | C22 | C24 | H22 | 121.2° | 120.0° |
| C23 | C22 | C24 | H241 | 177.9° | 180.0° |
| C23 | C22 | C24 | H242 | 62.6° | 60.0° |
| C22 | C23 | C17 | H17 | 180.0° | 180.0° |
| C22 | C23 | H231 | H232 | 119.8° | 120.0° |
| C23 | C22 | C21 | H211 | 59.1° | 59.9° |
| C23 | C22 | C21 | H212 | 178.8° | 180.0° |
| C22 | C24 | H241 | H242 | 119.3° | 120.0° |
| C24 | C22 | C23 | H231 | 60.8° | 60.0° |
| C24 | C22 | C23 | H232 | 179.4° | 180.0° |
| C24 | C22 | C21 | H211 | 178.6° | 179.9° |
| C24 | C22 | C21 | H212 | 61.6° | 60.0° |
| H11C | C1 | H12C | H13C | 120.0° | 120.0° |
| H61C | C6 | C7 | H71C | 54.8° | 54.5° |
| H61C | C6 | C7 | H72C | 65.4° | 65.6° |
| H62C | C6 | C7 | H71C | 174.5° | 174.9° |
| H62C | C6 | C7 | H72C | 54.3° | 54.8° |
| H101 | C10 | C9 | H91C | 170.5° | 175.1° |
| H101 | C10 | C9 | H92C | 50.6° | 54.9° |
| H102 | C10 | C9 | H91C | 50.9° | 54.6° |
| H102 | C10 | C9 | H92C | 69.0° | 65.6° |
| H71C | C7 | C8 | H8 | 174.9° | 178.6° |
| H72C | C7 | C8 | H8 | 64.9° | 61.2° |
| H8 | C8 | C9 | H91C | 176.8° | 178.6° |
| H8 | C8 | C9 | H92C | 63.2° | 61.3° |
| H8 | C8 | N11 | H11 | 141.0° | 145.0° |
| H161 | C16 | C17 | H17 | 59.6° | 60.0° |
| H162 | C16 | C17 | H17 | 59.9° | 59.9° |
| H201 | C20 | C19 | H19 | 59.5° | 60.0° |
| H202 | C20 | C19 | H19 | 60.1° | 60.0° |
| H241 | C24 | C22 | H22 | 60.9° | 60.0° |
| H242 | C24 | C22 | H22 | 58.6° | 60.0° |
| H17 | C17 | C18 | H181 | 60.3° | 60.0° |
| H17 | C17 | C18 | H182 | 59.8° | 60.0° |
| H17 | C17 | C23 | H231 | 59.9° | 60.1° |
| H17 | C17 | C23 | H232 | 59.9° | 60.0° |
| H181 | C18 | C19 | H19 | 60.4° | 60.0° |
| H182 | C18 | C19 | H19 | 59.7° | 60.0° |
| H231 | C23 | C22 | H22 | 60.4° | 60.0° |
| H232 | C23 | C22 | H22 | 59.5° | 60.0° |
| H19 | C19 | C21 | H211 | 61.5° | 60.0° |
| H19 | C19 | C21 | H212 | 58.2° | 60.1° |
| H211 | C21 | C22 | H22 | 61.0° | 60.0° |
| H212 | C21 | C22 | H22 | 58.8° | 60.0° |
