SOD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C5 | sing | 1.50Å | 1.58Å | |
| C1 | C4 | sing | 1.52Å | 1.59Å | |
| C1 | C3 | sing | 1.58Å | 1.64Å | |
| C1 | C2 | sing | 1.56Å | 1.56Å | |
| C2 | C7 | sing | 1.56Å | 1.62Å | |
| C2 | C6 | sing | 1.56Å | 1.55Å | |
| C2 | C8 | sing | 1.55Å | 1.57Å | |
| C3 | C10 | sing | 1.57Å | 1.57Å | |
| C3 | C11 | sing | 1.50Å | 1.55Å | |
| C3 | C9 | sing | 1.54Å | 1.58Å | |
| C4 | C12 | doub | 1.34Å | 1.40Å | |
| C4 | C13 | sing | 1.48Å | 1.54Å | |
| C5 | O14 | sing | 1.36Å | 1.27Å | |
| C5 | O15 | doub | 1.22Å | 1.26Å | |
| C6 | C12 | sing | 1.52Å | 1.51Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | C10 | sing | 1.55Å | 1.55Å | |
| C7 | C16 | sing | 1.52Å | 1.54Å | |
| C7 | H71 | sing | 1.10Å | 1.10Å | |
| C7 | H72 | sing | 1.10Å | 1.10Å | |
| C8 | H81 | sing | 1.08Å | 1.10Å | |
| C8 | H82 | sing | 1.08Å | 1.10Å | |
| C8 | O17 | sing | 1.41Å | 1.42Å | |
| C9 | H9 | sing | 1.10Å | 1.10Å | |
| C9 | C18 | sing | 1.52Å | 1.56Å | |
| C9 | C16 | sing | 1.53Å | 1.55Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.10Å | 1.10Å | |
| C11 | H11 | sing | 1.10Å | 1.08Å | |
| C11 | O19 | doub | 1.23Å | 1.23Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.10Å | 1.10Å | |
| C13 | C20 | sing | 1.53Å | 1.53Å | |
| C13 | C21 | sing | 1.53Å | 1.53Å | |
| O14 | H14 | sing | 0.98Å | 0.95Å | |
| C16 | C22 | sing | 1.54Å | 1.56Å | |
| C16 | H16 | sing | 1.10Å | 1.10Å | |
| O17 | C52 | sing | 1.42Å | 1.41Å | |
| C18 | H181 | sing | 1.10Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | C24 | sing | 1.55Å | 1.57Å | |
| C20 | H201 | sing | 1.10Å | 1.10Å | |
| C20 | H202 | sing | 1.10Å | 1.10Å | |
| C20 | H203 | sing | 1.10Å | 1.10Å | |
| C21 | H211 | sing | 1.10Å | 1.10Å | |
| C21 | H212 | sing | 1.10Å | 1.10Å | |
| C21 | H213 | sing | 1.09Å | 1.10Å | |
| C22 | C24 | sing | 1.57Å | 1.59Å | |
| C22 | H22 | sing | 1.10Å | 1.10Å | |
| C22 | C25 | sing | 1.53Å | 1.55Å | |
| C24 | H24 | sing | 1.10Å | 1.10Å | |
| C24 | CL5 | sing | 1.78Å | 1.68Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C25 | H253 | sing | 1.09Å | 1.10Å | |
| C52 | H52 | sing | 1.10Å | 1.10Å | |
| C52 | O56 | sing | 1.43Å | 1.46Å | |
| C52 | C53 | sing | 1.54Å | 1.54Å | |
| C53 | C54 | sing | 1.52Å | 1.51Å | |
| C53 | H531 | sing | 1.10Å | 1.10Å | |
| C53 | H532 | sing | 1.10Å | 1.10Å | |
| C54 | C64 | sing | 1.49Å | 1.47Å | |
| C54 | C55 | sing | 1.52Å | 1.50Å | |
| C54 | H54 | sing | 1.10Å | 1.10Å | |
| C55 | C56 | sing | 1.52Å | 1.54Å | |
| C55 | H55 | sing | 1.10Å | 1.10Å | |
| C55 | O64 | sing | 1.43Å | 1.43Å | |
| C56 | O56 | sing | 1.44Å | 1.44Å | |
| C56 | H56 | sing | 1.10Å | 1.10Å | |
| C56 | C61 | sing | 1.52Å | 1.51Å | |
| C61 | H611 | sing | 1.09Å | 1.10Å | |
| C61 | H612 | sing | 1.09Å | 1.10Å | |
| C61 | H613 | sing | 1.09Å | 1.10Å | |
| O64 | C65 | sing | 1.45Å | 1.44Å | |
| C65 | H651 | sing | 1.09Å | 1.10Å | |
| C65 | H652 | sing | 1.09Å | 1.10Å | |
| C65 | C64 | sing | 1.50Å | 1.51Å | |
| C64 | C70 | doub | 1.34Å | 1.33Å | |
| C70 | H701 | sing | 1.08Å | 1.08Å | |
| C70 | H702 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C1 | C4 | 110.8° | 112.8° |
| C5 | C1 | C3 | 113.8° | 117.3° |
| C5 | C1 | C2 | 120.2° | 114.6° |
| C1 | C5 | O14 | 118.3° | 110.7° |
| C1 | C5 | O15 | 114.8° | 125.1° |
| C4 | C1 | C3 | 112.5° | 109.7° |
| C4 | C1 | C2 | 100.0° | 100.4° |
| C1 | C4 | C12 | 104.1° | 106.8° |
| C1 | C4 | C13 | 127.4° | 125.2° |
| C3 | C1 | C2 | 98.6° | 100.1° |
| C1 | C3 | C10 | 101.3° | 101.0° |
| C1 | C3 | C11 | 108.2° | 112.8° |
| C1 | C3 | C9 | 109.0° | 109.0° |
| C1 | C2 | C7 | 113.9° | 113.2° |
| C1 | C2 | C6 | 89.4° | 90.8° |
| C1 | C2 | C8 | 117.6° | 116.3° |
| C7 | C2 | C6 | 119.5° | 118.2° |
| C7 | C2 | C8 | 102.9° | 105.7° |
| C2 | C7 | C16 | 114.7° | 114.9° |
| C2 | C7 | H71 | 107.7° | 109.6° |
| C2 | C7 | H72 | 106.6° | 107.6° |
| C6 | C2 | C8 | 114.2° | 112.7° |
| C2 | C6 | C12 | 102.2° | 99.9° |
| C2 | C6 | H6 | 114.2° | 116.0° |
| C2 | C6 | C10 | 108.4° | 106.1° |
| C2 | C8 | H81 | 107.9° | 108.6° |
| C2 | C8 | H82 | 106.8° | 108.6° |
| C2 | C8 | O17 | 114.2° | 107.5° |
| C10 | C3 | C11 | 112.4° | 111.5° |
| C10 | C3 | C9 | 113.8° | 111.6° |
| C3 | C10 | C6 | 99.9° | 102.1° |
| C3 | C10 | H101 | 112.8° | 114.2° |
| C3 | C10 | H102 | 114.8° | 111.9° |
| C11 | C3 | C9 | 111.5° | 110.6° |
| C3 | C11 | H11 | 116.9° | 115.6° |
| C3 | C11 | O19 | 126.3° | 123.5° |
| C3 | C9 | H9 | 97.8° | 108.2° |
| C3 | C9 | C18 | 121.8° | 119.6° |
| C3 | C9 | C16 | 109.8° | 111.0° |
| C12 | C4 | C13 | 128.5° | 128.0° |
| C4 | C12 | C6 | 105.4° | 106.9° |
| C4 | C12 | H12 | 127.3° | 126.9° |
| C4 | C13 | H13 | 104.9° | 108.7° |
| C4 | C13 | C20 | 114.2° | 110.9° |
| C4 | C13 | C21 | 110.8° | 111.3° |
| O14 | C5 | O15 | 126.8° | 124.3° |
| C5 | O14 | H14 | 109.5° | 111.9° |
| C12 | C6 | H6 | 114.6° | 114.3° |
| C12 | C6 | C10 | 108.0° | 102.6° |
| C6 | C12 | H12 | 127.3° | 126.1° |
| H6 | C6 | C10 | 109.0° | 116.0° |
| C6 | C10 | H101 | 112.8° | 112.1° |
| C6 | C10 | H102 | 114.7° | 111.7° |
| C16 | C7 | H71 | 107.8° | 108.7° |
| C16 | C7 | H72 | 106.5° | 109.4° |
| C7 | C16 | C9 | 112.2° | 111.1° |
| C7 | C16 | C22 | 120.7° | 122.0° |
| C7 | C16 | H16 | 97.1° | 105.7° |
| H71 | C7 | H72 | 113.6° | 106.4° |
| H81 | C8 | H82 | 113.3° | 111.2° |
| H81 | C8 | O17 | 107.9° | 110.4° |
| H82 | C8 | O17 | 106.8° | 110.4° |
| C8 | O17 | C52 | 106.0° | 112.1° |
| H9 | C9 | C18 | 109.7° | 106.7° |
| H9 | C9 | C16 | 121.7° | 110.2° |
| C18 | C9 | C16 | 97.9° | 100.8° |
| C9 | C18 | H181 | 110.6° | 110.7° |
| C9 | C18 | H182 | 111.4° | 112.2° |
| C9 | C18 | C24 | 106.0° | 103.4° |
| C9 | C16 | C22 | 101.6° | 103.1° |
| C9 | C16 | H16 | 117.7° | 110.7° |
| H101 | C10 | H102 | 102.3° | 105.0° |
| H11 | C11 | O19 | 116.8° | 121.0° |
| H13 | C13 | C20 | 107.5° | 108.0° |
| H13 | C13 | C21 | 111.1° | 107.5° |
| C20 | C13 | C21 | 108.3° | 110.3° |
| C13 | C20 | H201 | 109.5° | 111.3° |
| C13 | C20 | H202 | 109.5° | 110.8° |
| C13 | C20 | H203 | 109.5° | 111.2° |
| C13 | C21 | H211 | 109.5° | 110.7° |
| C13 | C21 | H212 | 109.5° | 111.4° |
| C13 | C21 | H213 | 109.5° | 111.2° |
| C22 | C16 | H16 | 108.5° | 103.8° |
| C16 | C22 | C24 | 102.7° | 101.9° |
| C16 | C22 | H22 | 113.7° | 108.8° |
| C16 | C22 | C25 | 114.0° | 114.1° |
| O17 | C52 | H52 | 108.9° | 107.5° |
| O17 | C52 | O56 | 112.3° | 110.3° |
| O17 | C52 | C53 | 108.0° | 107.8° |
| H181 | C18 | H182 | 106.8° | 107.4° |
| H181 | C18 | C24 | 110.7° | 109.4° |
| H182 | C18 | C24 | 111.4° | 113.7° |
| C18 | C24 | C22 | 103.9° | 106.9° |
| C18 | C24 | H24 | 120.4° | 108.8° |
| C18 | C24 | CL5 | 102.0° | 110.6° |
| H201 | C20 | H202 | 109.5° | 107.9° |
| H201 | C20 | H203 | 109.4° | 107.9° |
| H202 | C20 | H203 | 109.5° | 107.7° |
| H211 | C21 | H212 | 109.4° | 107.9° |
| H211 | C21 | H213 | 109.5° | 107.7° |
| H212 | C21 | H213 | 109.5° | 107.9° |
| C24 | C22 | H22 | 111.4° | 108.4° |
| C24 | C22 | C25 | 116.2° | 116.7° |
| C22 | C24 | H24 | 106.1° | 109.7° |
| C22 | C24 | CL5 | 117.2° | 114.9° |
| H22 | C22 | C25 | 99.5° | 106.7° |
| C22 | C25 | H251 | 109.5° | 110.6° |
| C22 | C25 | H252 | 109.4° | 110.6° |
| C22 | C25 | H253 | 109.4° | 110.6° |
| H24 | C24 | CL5 | 107.9° | 105.9° |
| H251 | C25 | H252 | 109.4° | 108.3° |
| H251 | C25 | H253 | 109.5° | 108.3° |
| H252 | C25 | H253 | 109.5° | 108.4° |
| H52 | C52 | O56 | 106.4° | 108.7° |
| H52 | C52 | C53 | 110.8° | 110.8° |
| O56 | C52 | C53 | 110.5° | 111.7° |
| C52 | O56 | C56 | 111.9° | 113.6° |
| C52 | C53 | C54 | 105.9° | 108.5° |
| C52 | C53 | H531 | 110.7° | 109.7° |
| C52 | C53 | H532 | 111.4° | 110.3° |
| C54 | C53 | H531 | 110.7° | 110.6° |
| C54 | C53 | H532 | 111.5° | 111.4° |
| C53 | C54 | C64 | 125.0° | 123.3° |
| C53 | C54 | C55 | 110.1° | 108.7° |
| C53 | C54 | H54 | 95.2° | 108.9° |
| H531 | C53 | H532 | 106.7° | 106.3° |
| C64 | C54 | C55 | 99.4° | 98.4° |
| C64 | C54 | H54 | 106.7° | 106.7° |
| C54 | C64 | C65 | 106.7° | 106.3° |
| C54 | C64 | C70 | 127.1° | 127.9° |
| C55 | C54 | H54 | 122.6° | 110.0° |
| C54 | C55 | C56 | 107.3° | 109.3° |
| C54 | C55 | H55 | 115.0° | 110.8° |
| C54 | C55 | O64 | 105.1° | 104.0° |
| C56 | C55 | H55 | 107.0° | 108.9° |
| C56 | C55 | O64 | 113.4° | 115.9° |
| C55 | C56 | O56 | 108.9° | 108.1° |
| C55 | C56 | H56 | 108.5° | 111.4° |
| C55 | C56 | C61 | 110.8° | 111.7° |
| H55 | C55 | O64 | 109.1° | 107.9° |
| C55 | O64 | C65 | 103.1° | 105.2° |
| O56 | C56 | H56 | 111.1° | 109.5° |
| O56 | C56 | C61 | 108.3° | 108.1° |
| H56 | C56 | C61 | 109.2° | 107.8° |
| C56 | C61 | H611 | 109.5° | 110.6° |
| C56 | C61 | H612 | 109.5° | 110.6° |
| C56 | C61 | H613 | 109.4° | 110.5° |
| H611 | C61 | H612 | 109.5° | 108.3° |
| H611 | C61 | H613 | 109.5° | 108.3° |
| H612 | C61 | H613 | 109.5° | 108.4° |
| O64 | C65 | H651 | 110.8° | 107.9° |
| O64 | C65 | H652 | 111.7° | 108.4° |
| O64 | C65 | C64 | 105.5° | 105.5° |
| H651 | C65 | H652 | 106.4° | 110.4° |
| H651 | C65 | C64 | 110.8° | 112.1° |
| H652 | C65 | C64 | 111.7° | 112.2° |
| C65 | C64 | C70 | 126.1° | 125.7° |
| C64 | C70 | H701 | 105.1° | 120.7° |
| C64 | C70 | H702 | 127.5° | 120.8° |
| H701 | C70 | H702 | 127.4° | 118.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C1 | C4 | C3 | 128.6° | 132.8° |
| C5 | C1 | C4 | C2 | 127.8° | 122.4° |
| C5 | C1 | C3 | C2 | 128.4° | 124.6° |
| C5 | C1 | C2 | C7 | 61.8° | 65.0° |
| C5 | C1 | C2 | C6 | 175.9° | 173.6° |
| C5 | C1 | C2 | C8 | 58.8° | 57.7° |
| C5 | C1 | C3 | C10 | 176.8° | 172.5° |
| C5 | C1 | C3 | C11 | 64.8° | 68.4° |
| C5 | C1 | C3 | C9 | 56.6° | 54.8° |
| C5 | C1 | C4 | C12 | 164.1° | 156.7° |
| C5 | C1 | C4 | C13 | 15.1° | 25.6° |
| C1 | C5 | O14 | O15 | 178.4° | 179.9° |
| C1 | C5 | O14 | H14 | 178.4° | 179.9° |
| C4 | C1 | C3 | C2 | 104.6° | 105.0° |
| C4 | C1 | C2 | C7 | 177.0° | 173.9° |
| C4 | C1 | C2 | C6 | 54.7° | 52.5° |
| C4 | C1 | C2 | C8 | 62.5° | 63.5° |
| C4 | C1 | C3 | C10 | 56.2° | 57.2° |
| C4 | C1 | C3 | C11 | 62.2° | 62.0° |
| C4 | C1 | C3 | C9 | 176.4° | 174.8° |
| C1 | C4 | C12 | C13 | 179.2° | 177.5° |
| C4 | C1 | C5 | O14 | 111.4° | 60.1° |
| C4 | C1 | C5 | O15 | 67.2° | 120.0° |
| C1 | C4 | C12 | C6 | 1.2° | 2.0° |
| C1 | C4 | C12 | H12 | 178.8° | 177.2° |
| C1 | C4 | C13 | H13 | 28.5° | 2.9° |
| C1 | C4 | C13 | C20 | 145.9° | 115.6° |
| C1 | C4 | C13 | C21 | 91.5° | 121.2° |
| C3 | C1 | C2 | C7 | 62.2° | 61.5° |
| C3 | C1 | C2 | C6 | 60.1° | 60.0° |
| C3 | C1 | C2 | C8 | 177.2° | 175.9° |
| C1 | C3 | C10 | C11 | 115.3° | 120.1° |
| C1 | C3 | C10 | C9 | 116.8° | 115.7° |
| C1 | C3 | C11 | C9 | 119.9° | 122.3° |
| C3 | C1 | C4 | C12 | 67.3° | 70.5° |
| C3 | C1 | C4 | C13 | 113.5° | 107.1° |
| C3 | C1 | C5 | O14 | 120.8° | 171.0° |
| C3 | C1 | C5 | O15 | 60.6° | 8.9° |
| C1 | C3 | C10 | C6 | 12.5° | 13.3° |
| C1 | C3 | C9 | H9 | 59.2° | 53.1° |
| C1 | C3 | C9 | C18 | 178.2° | 175.3° |
| C1 | C3 | C9 | C16 | 68.6° | 68.0° |
| C1 | C3 | C10 | H101 | 107.5° | 134.6° |
| C1 | C3 | C10 | H102 | 135.8° | 106.3° |
| C1 | C3 | C11 | H11 | 70.7° | 67.1° |
| C1 | C3 | C11 | O19 | 109.3° | 112.8° |
| C1 | C2 | C7 | C6 | 103.7° | 104.4° |
| C1 | C2 | C7 | C8 | 128.5° | 128.4° |
| C1 | C2 | C6 | C8 | 120.2° | 119.1° |
| C2 | C1 | C3 | C10 | 48.4° | 47.9° |
| C2 | C1 | C3 | C11 | 166.8° | 167.0° |
| C2 | C1 | C3 | C9 | 71.8° | 69.8° |
| C2 | C1 | C4 | C12 | 36.3° | 34.3° |
| C2 | C1 | C4 | C13 | 142.9° | 148.1° |
| C2 | C1 | C5 | O14 | 4.4° | 54.0° |
| C2 | C1 | C5 | O15 | 177.0° | 125.9° |
| C1 | C2 | C6 | C12 | 57.4° | 53.5° |
| C1 | C2 | C6 | H6 | 178.3° | 176.9° |
| C1 | C2 | C6 | C10 | 56.5° | 52.8° |
| C1 | C2 | C7 | C16 | 51.4° | 51.6° |
| C1 | C2 | C7 | H71 | 68.6° | 174.3° |
| C1 | C2 | C7 | H72 | 169.1° | 70.4° |
| C1 | C2 | C8 | H81 | 60.8° | 53.5° |
| C1 | C2 | C8 | H82 | 61.3° | 67.5° |
| C1 | C2 | C8 | O17 | 179.2° | 173.0° |
| C7 | C2 | C6 | C8 | 122.4° | 123.8° |
| C7 | C2 | C6 | C12 | 174.7° | 170.6° |
| C7 | C2 | C6 | H6 | 60.9° | 66.1° |
| C7 | C2 | C6 | C10 | 60.9° | 64.3° |
| C2 | C7 | C16 | H71 | 120.0° | 123.2° |
| C2 | C7 | C16 | H72 | 117.7° | 121.1° |
| C2 | C7 | H71 | H72 | 117.8° | 116.0° |
| C7 | C2 | C8 | H81 | 65.3° | 180.0° |
| C7 | C2 | C8 | H82 | 172.6° | 59.0° |
| C7 | C2 | C8 | O17 | 54.7° | 60.5° |
| C2 | C7 | C16 | C9 | 40.5° | 42.2° |
| C2 | C7 | C16 | C22 | 160.2° | 164.0° |
| C2 | C7 | C16 | H16 | 83.3° | 78.1° |
| C2 | C6 | C10 | C3 | 27.6° | 25.4° |
| C2 | C6 | C12 | C4 | 38.8° | 37.4° |
| C2 | C6 | C12 | H6 | 124.1° | 124.5° |
| C2 | C6 | C12 | C10 | 114.2° | 109.1° |
| C2 | C6 | H6 | C10 | 121.4° | 125.4° |
| C6 | C2 | C7 | C16 | 52.3° | 52.7° |
| C6 | C2 | C7 | H71 | 172.3° | 69.9° |
| C6 | C2 | C7 | H72 | 65.4° | 174.8° |
| C6 | C2 | C8 | H81 | 163.6° | 49.4° |
| C6 | C2 | C8 | H82 | 41.5° | 170.5° |
| C6 | C2 | C8 | O17 | 76.4° | 70.1° |
| C2 | C6 | C10 | H101 | 147.6° | 97.3° |
| C2 | C6 | C10 | H102 | 95.7° | 145.1° |
| C2 | C6 | C12 | H12 | 141.2° | 147.3° |
| C8 | C2 | C6 | C12 | 62.8° | 65.6° |
| C8 | C2 | C6 | H6 | 61.5° | 57.8° |
| C8 | C2 | C6 | C10 | 176.7° | 171.9° |
| C8 | C2 | C7 | C16 | 179.9° | 180.0° |
| C8 | C2 | C7 | H71 | 59.9° | 57.3° |
| C8 | C2 | C7 | H72 | 62.5° | 58.0° |
| C2 | C8 | H81 | H82 | 118.0° | 119.4° |
| C2 | C8 | H81 | O17 | 123.9° | 117.7° |
| C2 | C8 | H82 | O17 | 122.6° | 117.7° |
| C2 | C8 | O17 | C52 | 179.3° | 178.4° |
| C10 | C3 | C11 | C9 | 129.1° | 124.8° |
| C3 | C10 | C6 | C12 | 82.4° | 79.0° |
| C3 | C10 | C6 | H6 | 152.5° | 155.7° |
| C3 | C10 | C6 | H101 | 120.0° | 122.7° |
| C3 | C10 | C6 | H102 | 123.3° | 119.7° |
| C10 | C3 | C9 | H9 | 171.4° | 163.8° |
| C10 | C3 | C9 | C18 | 69.6° | 73.9° |
| C10 | C3 | C9 | C16 | 43.6° | 42.8° |
| C3 | C10 | H101 | H102 | 123.9° | 123.0° |
| C10 | C3 | C11 | H11 | 178.3° | 180.0° |
| C10 | C3 | C11 | O19 | 1.7° | 0.1° |
| C11 | C3 | C10 | C6 | 127.7° | 133.4° |
| C11 | C3 | C9 | H9 | 60.2° | 71.5° |
| C11 | C3 | C9 | C18 | 58.8° | 50.8° |
| C11 | C3 | C9 | C16 | 172.0° | 167.5° |
| C11 | C3 | C10 | H101 | 7.7° | 105.4° |
| C11 | C3 | C10 | H102 | 109.0° | 13.8° |
| C3 | C11 | H11 | O19 | 180.0° | 179.9° |
| C9 | C3 | C10 | C6 | 104.3° | 102.4° |
| C3 | C9 | C16 | C7 | 49.5° | 50.3° |
| C3 | C9 | H9 | C18 | 127.8° | 129.9° |
| C3 | C9 | H9 | C16 | 119.0° | 121.6° |
| C3 | C9 | C18 | C16 | 119.2° | 121.9° |
| C9 | C3 | C10 | H101 | 135.7° | 18.8° |
| C9 | C3 | C10 | H102 | 19.0° | 138.0° |
| C9 | C3 | C11 | H11 | 49.2° | 55.2° |
| C9 | C3 | C11 | O19 | 130.8° | 124.9° |
| C3 | C9 | C16 | C22 | 179.8° | 177.4° |
| C3 | C9 | C16 | H16 | 61.9° | 66.9° |
| C3 | C9 | C18 | H181 | 41.2° | 45.7° |
| C3 | C9 | C18 | H182 | 77.4° | 74.2° |
| C3 | C9 | C18 | C24 | 161.2° | 162.9° |
| C4 | C12 | C6 | H12 | 180.0° | 175.3° |
| C4 | C12 | C6 | H6 | 163.0° | 161.9° |
| C4 | C12 | C6 | C10 | 75.4° | 71.7° |
| C12 | C4 | C13 | H13 | 152.5° | 180.0° |
| C12 | C4 | C13 | C20 | 35.0° | 61.5° |
| C12 | C4 | C13 | C21 | 87.6° | 61.7° |
| C13 | C4 | C12 | C6 | 179.6° | 175.6° |
| C13 | C4 | C12 | H12 | 0.4° | 0.4° |
| C4 | C13 | H13 | C20 | 121.9° | 120.3° |
| C4 | C13 | H13 | C21 | 119.8° | 120.6° |
| C4 | C13 | C20 | C21 | 124.0° | 123.8° |
| C4 | C13 | C20 | H201 | 47.9° | 61.7° |
| C4 | C13 | C20 | H202 | 72.1° | 58.3° |
| C4 | C13 | C20 | H203 | 167.9° | 178.0° |
| C4 | C13 | C21 | H211 | 121.9° | 57.6° |
| C4 | C13 | C21 | H212 | 1.9° | 62.4° |
| C4 | C13 | C21 | H213 | 118.1° | 177.3° |
| O15 | C5 | O14 | H14 | 0.0° | 0.0° |
| C12 | C6 | H6 | C10 | 121.1° | 119.1° |
| C12 | C6 | C10 | H101 | 37.6° | 158.3° |
| C12 | C6 | C10 | H102 | 154.3° | 40.7° |
| H6 | C6 | C10 | H101 | 87.4° | 33.1° |
| H6 | C6 | C10 | H102 | 29.2° | 84.5° |
| H6 | C6 | C12 | H12 | 17.0° | 22.8° |
| C6 | C10 | H101 | H102 | 123.8° | 121.5° |
| C10 | C6 | C12 | H12 | 104.6° | 103.6° |
| C16 | C7 | H71 | H72 | 117.8° | 117.6° |
| C7 | C16 | C9 | H9 | 63.5° | 69.5° |
| C7 | C16 | C9 | C18 | 177.4° | 178.1° |
| C7 | C16 | C9 | C22 | 130.3° | 132.3° |
| C7 | C16 | C9 | H16 | 111.4° | 117.2° |
| C7 | C16 | C22 | H16 | 110.5° | 118.9° |
| C7 | C16 | C22 | C24 | 168.1° | 163.0° |
| C7 | C16 | C22 | H22 | 71.5° | 82.7° |
| C7 | C16 | C22 | C25 | 41.6° | 36.3° |
| H71 | C7 | C16 | C9 | 79.5° | 165.4° |
| H71 | C7 | C16 | C22 | 40.2° | 72.8° |
| H71 | C7 | C16 | H16 | 156.7° | 45.1° |
| H72 | C7 | C16 | C9 | 158.1° | 78.9° |
| H72 | C7 | C16 | C22 | 82.2° | 42.9° |
| H72 | C7 | C16 | H16 | 34.3° | 160.8° |
| H81 | C8 | H82 | O17 | 118.7° | 122.9° |
| H81 | C8 | O17 | C52 | 60.7° | 60.0° |
| H82 | C8 | O17 | C52 | 61.4° | 63.3° |
| C8 | O17 | C52 | H52 | 3.4° | 60.5° |
| C8 | O17 | C52 | O56 | 114.1° | 57.8° |
| C8 | O17 | C52 | C53 | 123.8° | 180.0° |
| H9 | C9 | C18 | C16 | 127.8° | 115.1° |
| H9 | C9 | C16 | C22 | 66.8° | 62.8° |
| H9 | C9 | C16 | H16 | 174.9° | 173.2° |
| H9 | C9 | C18 | H181 | 154.2° | 168.8° |
| H9 | C9 | C18 | H182 | 35.6° | 48.8° |
| H9 | C9 | C18 | C24 | 85.8° | 74.1° |
| C18 | C9 | C16 | C22 | 52.3° | 49.6° |
| C18 | C9 | C16 | H16 | 66.1° | 60.8° |
| C9 | C18 | H181 | H182 | 121.4° | 122.8° |
| C9 | C18 | H181 | C24 | 117.1° | 113.4° |
| C9 | C18 | H182 | C24 | 118.1° | 116.9° |
| C9 | C18 | C24 | C22 | 16.1° | 18.1° |
| C9 | C18 | C24 | H24 | 134.6° | 136.5° |
| C9 | C18 | C24 | CL5 | 106.1° | 107.6° |
| C9 | C16 | C22 | H16 | 124.7° | 115.5° |
| C16 | C9 | C18 | H181 | 77.9° | 76.2° |
| C16 | C9 | C18 | H182 | 163.4° | 163.9° |
| C16 | C9 | C18 | C24 | 42.1° | 41.0° |
| C9 | C16 | C22 | C24 | 43.3° | 37.4° |
| C9 | C16 | C22 | H22 | 163.7° | 151.8° |
| C9 | C16 | C22 | C25 | 83.2° | 89.2° |
| H13 | C13 | C20 | C21 | 120.2° | 117.3° |
| H13 | C13 | C20 | H201 | 68.0° | 179.3° |
| H13 | C13 | C20 | H202 | 172.0° | 60.6° |
| H13 | C13 | C20 | H203 | 52.0° | 59.0° |
| H13 | C13 | C21 | H211 | 121.9° | 61.3° |
| H13 | C13 | C21 | H212 | 118.1° | 178.6° |
| H13 | C13 | C21 | H213 | 1.9° | 58.3° |
| C13 | C20 | H201 | H202 | 120.0° | 121.7° |
| C13 | C20 | H201 | H203 | 120.0° | 122.2° |
| C13 | C20 | H202 | H203 | 120.0° | 121.8° |
| C20 | C13 | C21 | H211 | 4.0° | 178.9° |
| C20 | C13 | C21 | H212 | 124.0° | 61.1° |
| C20 | C13 | C21 | H213 | 116.0° | 59.2° |
| C21 | C13 | C20 | H201 | 171.8° | 62.1° |
| C21 | C13 | C20 | H202 | 51.8° | 177.9° |
| C21 | C13 | C20 | H203 | 68.2° | 58.2° |
| C13 | C21 | H211 | H212 | 120.0° | 122.1° |
| C13 | C21 | H211 | H213 | 120.0° | 121.7° |
| C13 | C21 | H212 | H213 | 120.0° | 122.3° |
| C16 | C22 | C24 | C18 | 16.4° | 11.7° |
| C16 | C22 | C24 | H22 | 122.0° | 114.6° |
| C16 | C22 | C24 | C25 | 125.1° | 125.0° |
| C16 | C22 | H22 | C25 | 121.5° | 123.5° |
| C16 | C22 | C24 | H24 | 111.5° | 106.1° |
| C16 | C22 | C24 | CL5 | 127.9° | 134.8° |
| C16 | C22 | C25 | H251 | 7.0° | 100.1° |
| C16 | C22 | C25 | H252 | 127.0° | 139.9° |
| C16 | C22 | C25 | H253 | 113.0° | 19.8° |
| H16 | C16 | C22 | C24 | 81.4° | 78.1° |
| H16 | C16 | C22 | H22 | 39.0° | 36.2° |
| H16 | C16 | C22 | C25 | 152.1° | 155.2° |
| O17 | C52 | H52 | O56 | 121.2° | 119.3° |
| O17 | C52 | H52 | C53 | 118.7° | 117.5° |
| O17 | C52 | O56 | C53 | 120.7° | 119.8° |
| O17 | C52 | C53 | C54 | 178.1° | 176.1° |
| O17 | C52 | C53 | H531 | 58.1° | 55.2° |
| O17 | C52 | C53 | H532 | 60.5° | 61.6° |
| O17 | C52 | O56 | C56 | 178.7° | 177.8° |
| H181 | C18 | H182 | C24 | 121.0° | 121.2° |
| H181 | C18 | C24 | C22 | 103.8° | 99.9° |
| H181 | C18 | C24 | H24 | 14.7° | 18.5° |
| H181 | C18 | C24 | CL5 | 133.9° | 134.4° |
| H182 | C18 | C24 | C22 | 137.5° | 140.0° |
| H182 | C18 | C24 | H24 | 104.0° | 101.6° |
| H182 | C18 | C24 | CL5 | 15.2° | 14.3° |
| C18 | C24 | C22 | H24 | 127.9° | 117.8° |
| C18 | C24 | C22 | CL5 | 111.5° | 123.1° |
| C18 | C24 | C22 | H22 | 138.4° | 126.3° |
| C18 | C24 | C22 | C25 | 108.7° | 113.2° |
| C18 | C24 | H24 | CL5 | 116.2° | 118.9° |
| H201 | C20 | H202 | H203 | 120.0° | 116.2° |
| H211 | C21 | H212 | H213 | 120.0° | 116.1° |
| C24 | C22 | H22 | C25 | 123.0° | 126.4° |
| C22 | C24 | H24 | CL5 | 126.4° | 124.5° |
| C24 | C22 | C25 | H251 | 126.1° | 141.3° |
| C24 | C22 | C25 | H252 | 113.9° | 21.3° |
| C24 | C22 | C25 | H253 | 6.1° | 98.7° |
| H22 | C22 | C24 | H24 | 10.5° | 8.5° |
| H22 | C22 | C24 | CL5 | 110.0° | 110.6° |
| H22 | C22 | C25 | H251 | 114.3° | 20.0° |
| H22 | C22 | C25 | H252 | 5.7° | 100.0° |
| H22 | C22 | C25 | H253 | 125.7° | 140.0° |
| C25 | C22 | C24 | H24 | 123.4° | 128.9° |
| C25 | C22 | C24 | CL5 | 2.9° | 9.8° |
| C22 | C25 | H251 | H252 | 120.0° | 121.4° |
| C22 | C25 | H251 | H253 | 120.0° | 121.3° |
| C22 | C25 | H252 | H253 | 120.0° | 121.4° |
| H251 | C25 | H252 | H253 | 120.0° | 117.2° |
| H52 | C52 | O56 | C53 | 120.3° | 122.6° |
| H52 | C52 | C53 | C54 | 59.0° | 66.6° |
| H52 | C52 | C53 | H531 | 61.1° | 172.5° |
| H52 | C52 | C53 | H532 | 179.7° | 55.7° |
| H52 | C52 | O56 | C56 | 59.7° | 64.7° |
| O56 | C52 | C53 | C54 | 58.7° | 54.8° |
| O56 | C52 | C53 | H531 | 178.7° | 66.1° |
| O56 | C52 | C53 | H532 | 62.7° | 177.1° |
| C52 | O56 | C56 | C55 | 60.5° | 60.0° |
| C52 | O56 | C56 | H56 | 59.0° | 61.6° |
| C52 | O56 | C56 | C61 | 178.9° | 178.8° |
| C52 | C53 | C54 | H531 | 120.0° | 120.4° |
| C52 | C53 | C54 | H532 | 121.3° | 121.6° |
| C52 | C53 | H531 | H532 | 121.4° | 119.3° |
| C52 | C53 | C54 | C64 | 179.5° | 170.8° |
| C52 | C53 | C54 | C55 | 61.6° | 56.7° |
| C52 | C53 | C54 | H54 | 65.9° | 63.1° |
| C53 | C52 | O56 | C56 | 60.7° | 57.9° |
| C54 | C53 | H531 | H532 | 121.5° | 121.1° |
| C53 | C54 | C64 | C55 | 122.8° | 119.0° |
| C53 | C54 | C64 | H54 | 109.0° | 127.1° |
| C53 | C54 | C55 | H54 | 110.4° | 119.2° |
| C53 | C54 | C55 | C56 | 63.2° | 61.2° |
| C53 | C54 | C55 | H55 | 55.8° | 58.7° |
| C53 | C54 | C55 | O64 | 175.8° | 174.4° |
| C53 | C54 | C64 | C65 | 148.0° | 151.5° |
| C53 | C54 | C64 | C70 | 36.1° | 24.0° |
| H531 | C53 | C54 | C64 | 60.4° | 50.4° |
| H531 | C53 | C54 | C55 | 178.4° | 63.6° |
| H531 | C53 | C54 | H54 | 54.1° | 176.5° |
| H532 | C53 | C54 | C64 | 58.2° | 67.6° |
| H532 | C53 | C54 | C55 | 59.7° | 178.3° |
| H532 | C53 | C54 | H54 | 172.8° | 58.5° |
| C64 | C54 | C55 | H54 | 116.8° | 111.3° |
| C64 | C54 | C55 | C56 | 164.0° | 169.2° |
| C64 | C54 | C55 | H55 | 77.0° | 70.8° |
| C64 | C54 | C55 | O64 | 43.0° | 44.9° |
| C54 | C64 | C65 | O64 | 0.3° | 9.9° |
| C54 | C64 | C65 | H651 | 120.3° | 107.3° |
| C54 | C64 | C65 | H652 | 121.2° | 127.8° |
| C54 | C64 | C65 | C70 | 175.9° | 175.6° |
| C54 | C64 | C70 | H701 | 2.5° | 5.4° |
| C54 | C64 | C70 | H702 | 177.5° | 174.7° |
| C54 | C55 | C56 | H55 | 124.0° | 121.1° |
| C54 | C55 | C56 | O64 | 115.6° | 117.0° |
| C54 | C55 | H55 | O64 | 117.8° | 113.3° |
| C54 | C55 | C56 | O56 | 60.8° | 61.1° |
| C54 | C55 | C56 | H56 | 60.3° | 59.3° |
| C54 | C55 | C56 | C61 | 179.8° | 180.0° |
| C54 | C55 | O64 | C65 | 44.2° | 40.7° |
| C55 | C54 | C64 | C65 | 25.3° | 32.4° |
| C55 | C54 | C64 | C70 | 158.9° | 143.0° |
| H54 | C54 | C55 | C56 | 47.1° | 57.9° |
| H54 | C54 | C55 | H55 | 166.1° | 177.9° |
| H54 | C54 | C55 | O64 | 73.8° | 66.4° |
| H54 | C54 | C64 | C65 | 103.0° | 81.5° |
| H54 | C54 | C64 | C70 | 72.9° | 103.1° |
| C56 | C55 | H55 | O64 | 123.0° | 126.6° |
| C55 | C56 | O56 | H56 | 119.5° | 121.6° |
| C55 | C56 | O56 | C61 | 120.6° | 121.1° |
| C55 | C56 | H56 | C61 | 120.9° | 123.0° |
| C55 | C56 | C61 | H611 | 69.1° | 22.4° |
| C55 | C56 | C61 | H612 | 50.9° | 97.6° |
| C55 | C56 | C61 | H613 | 170.9° | 142.4° |
| C56 | C55 | O64 | C65 | 161.1° | 160.6° |
| H55 | C55 | C56 | O56 | 63.2° | 60.0° |
| H55 | C55 | C56 | H56 | 175.7° | 179.5° |
| H55 | C55 | C56 | C61 | 55.8° | 58.8° |
| H55 | C55 | O64 | C65 | 79.7° | 77.1° |
| O64 | C55 | C56 | O56 | 176.4° | 178.1° |
| O64 | C55 | C56 | H56 | 55.3° | 57.7° |
| O64 | C55 | C56 | C61 | 64.6° | 63.0° |
| C55 | O64 | C65 | H651 | 93.5° | 139.1° |
| C55 | O64 | C65 | H652 | 148.0° | 101.3° |
| C55 | O64 | C65 | C64 | 26.5° | 19.1° |
| O56 | C56 | H56 | C61 | 119.4° | 117.4° |
| O56 | C56 | C61 | H611 | 171.5° | 141.3° |
| O56 | C56 | C61 | H612 | 68.5° | 21.3° |
| O56 | C56 | C61 | H613 | 51.5° | 98.8° |
| H56 | C56 | C61 | H611 | 50.4° | 100.4° |
| H56 | C56 | C61 | H612 | 170.4° | 139.6° |
| H56 | C56 | C61 | H613 | 69.6° | 19.6° |
| C56 | C61 | H611 | H612 | 120.0° | 121.3° |
| C56 | C61 | H611 | H613 | 120.0° | 121.3° |
| C56 | C61 | H612 | H613 | 120.0° | 121.3° |
| H611 | C61 | H612 | H613 | 120.0° | 117.4° |
| O64 | C65 | H651 | H652 | 121.6° | 118.3° |
| O64 | C65 | H651 | C64 | 116.7° | 115.8° |
| O64 | C65 | H652 | C64 | 117.8° | 116.2° |
| O64 | C65 | C64 | C70 | 176.2° | 165.7° |
| H651 | C65 | H652 | C64 | 121.1° | 125.9° |
| H651 | C65 | C64 | C70 | 63.8° | 77.1° |
| H652 | C65 | C64 | C70 | 54.7° | 47.8° |
| C65 | C64 | C70 | H701 | 177.6° | 180.0° |
| C65 | C64 | C70 | H702 | 2.4° | 0.1° |
| C64 | C70 | H701 | H702 | 180.0° | 180.0° |
