G74
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O88 | C84 | doub | 1.21Å | 1.25Å | |
C84 | O86 | sing | 1.34Å | 1.47Å | |
C84 | C82 | sing | 1.51Å | 1.53Å | |
O86 | C3 | sing | 1.45Å | 1.45Å | |
C3 | C5 | sing | 1.53Å | 1.53Å | |
C82 | C63 | sing | 1.53Å | 1.53Å | |
C63 | C57 | sing | 1.53Å | 1.54Å | |
C57 | C59 | sing | 1.53Å | 1.53Å | |
C57 | N49 | sing | 1.47Å | 1.47Å | |
C59 | C61 | sing | 1.53Å | 1.54Å | |
C61 | C73 | sing | 1.55Å | 1.55Å | |
C61 | C65 | sing | 1.51Å | 1.51Å | |
C73 | C71 | sing | 1.55Å | 1.54Å | |
C71 | N69 | sing | 1.47Å | 1.47Å | |
N69 | C65 | sing | 1.34Å | 1.27Å | |
C65 | O66 | doub | 1.21Å | 1.34Å | |
N49 | C39 | sing | 1.35Å | 1.34Å | |
C39 | O47 | doub | 1.22Å | 1.22Å | |
C39 | O37 | sing | 1.35Å | 1.45Å | |
O37 | C1 | sing | 1.45Å | 1.43Å | |
C1 | C2 | sing | 1.53Å | 1.54Å | |
C1 | C4 | sing | 1.53Å | 1.54Å | |
C1 | C6 | sing | 1.53Å | 1.55Å | |
C82 | H821 | sing | 1.09Å | 1.10Å | |
C82 | H822 | sing | 1.09Å | 1.10Å | |
C3 | H31C | sing | 1.09Å | 1.10Å | |
C3 | H32C | sing | 1.09Å | 1.10Å | |
C5 | H51C | sing | 1.09Å | 1.10Å | |
C5 | H52C | sing | 1.09Å | 1.10Å | |
C5 | H53C | sing | 1.09Å | 1.10Å | |
C63 | H631 | sing | 1.09Å | 1.10Å | |
C63 | H632 | sing | 1.09Å | 1.10Å | |
C57 | H57 | sing | 1.09Å | 1.10Å | |
C59 | H591 | sing | 1.09Å | 1.10Å | |
C59 | H592 | sing | 1.09Å | 1.10Å | |
N49 | H49 | sing | 0.97Å | 1.00Å | |
C61 | H61 | sing | 1.09Å | 1.10Å | |
C73 | H731 | sing | 1.09Å | 1.10Å | |
C73 | H732 | sing | 1.09Å | 1.10Å | |
C71 | H711 | sing | 1.09Å | 1.10Å | |
C71 | H712 | sing | 1.09Å | 1.10Å | |
N69 | H69 | sing | 0.97Å | 1.00Å | |
C2 | H21C | sing | 1.09Å | 1.10Å | |
C2 | H22C | sing | 1.09Å | 1.10Å | |
C2 | H23C | sing | 1.09Å | 1.10Å | |
C4 | H41C | sing | 1.09Å | 1.10Å | |
C4 | H42C | sing | 1.09Å | 1.10Å | |
C4 | H43C | sing | 1.09Å | 1.10Å | |
C6 | H61C | sing | 1.09Å | 1.10Å | |
C6 | H62C | sing | 1.09Å | 1.10Å | |
C6 | H63C | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O88 | C84 | O86 | 119.3° | 120.0° |
O88 | C84 | C82 | 122.3° | 120.0° |
O86 | C84 | C82 | 118.4° | 120.0° |
C84 | O86 | C3 | 122.1° | 117.0° |
C84 | C82 | C63 | 114.4° | 109.5° |
C84 | C82 | H821 | 108.2° | 109.4° |
C84 | C82 | H822 | 108.2° | 109.5° |
O86 | C3 | C5 | 112.2° | 109.4° |
O86 | C3 | H31C | 108.8° | 109.5° |
O86 | C3 | H32C | 108.8° | 109.5° |
C5 | C3 | H31C | 108.8° | 109.4° |
C5 | C3 | H32C | 108.8° | 109.4° |
C3 | C5 | H51C | 109.5° | 109.5° |
C3 | C5 | H52C | 109.5° | 109.5° |
C3 | C5 | H53C | 109.5° | 109.4° |
C82 | C63 | C57 | 112.7° | 109.5° |
C63 | C82 | H821 | 108.2° | 109.5° |
C63 | C82 | H822 | 108.2° | 109.5° |
C82 | C63 | H631 | 108.7° | 109.5° |
C82 | C63 | H632 | 108.7° | 109.5° |
C63 | C57 | C59 | 112.1° | 109.5° |
C63 | C57 | N49 | 106.7° | 109.5° |
C57 | C63 | H631 | 108.6° | 109.5° |
C57 | C63 | H632 | 108.6° | 109.5° |
C63 | C57 | H57 | 109.5° | 109.5° |
C59 | C57 | N49 | 108.5° | 109.4° |
C57 | C59 | C61 | 113.8° | 109.4° |
C59 | C57 | H57 | 109.6° | 109.5° |
C57 | C59 | H591 | 108.4° | 109.5° |
C57 | C59 | H592 | 108.4° | 109.5° |
C57 | N49 | C39 | 120.9° | 120.0° |
N49 | C57 | H57 | 110.5° | 109.5° |
C57 | N49 | H49 | 119.5° | 120.0° |
C59 | C61 | C73 | 115.5° | 110.5° |
C59 | C61 | C65 | 114.3° | 110.5° |
C61 | C59 | H591 | 108.4° | 109.4° |
C61 | C59 | H592 | 108.4° | 109.5° |
C59 | C61 | H61 | 108.4° | 110.4° |
C73 | C61 | C65 | 101.3° | 104.2° |
C61 | C73 | C71 | 106.0° | 101.7° |
C73 | C61 | H61 | 108.3° | 110.5° |
C61 | C73 | H731 | 110.3° | 111.0° |
C61 | C73 | H732 | 110.3° | 111.0° |
C61 | C65 | N69 | 110.2° | 110.1° |
C61 | C65 | O66 | 126.4° | 124.9° |
C65 | C61 | H61 | 108.7° | 110.6° |
C73 | C71 | N69 | 100.0° | 105.5° |
C71 | C73 | H731 | 110.3° | 110.9° |
C71 | C73 | H732 | 110.3° | 111.0° |
C73 | C71 | H711 | 111.8° | 110.3° |
C73 | C71 | H712 | 111.8° | 110.2° |
C71 | N69 | C65 | 117.4° | 111.3° |
N69 | C71 | H711 | 111.8° | 110.3° |
N69 | C71 | H712 | 111.8° | 110.3° |
C71 | N69 | H69 | 121.3° | 124.3° |
N69 | C65 | O66 | 123.4° | 124.9° |
C65 | N69 | H69 | 121.3° | 124.3° |
N49 | C39 | O47 | 122.7° | 120.0° |
N49 | C39 | O37 | 119.5° | 120.1° |
C39 | N49 | H49 | 119.5° | 120.0° |
O47 | C39 | O37 | 117.7° | 120.0° |
C39 | O37 | C1 | 124.7° | 117.0° |
O37 | C1 | C2 | 104.2° | 109.4° |
O37 | C1 | C4 | 109.9° | 109.5° |
O37 | C1 | C6 | 110.2° | 109.5° |
C2 | C1 | C4 | 110.0° | 109.4° |
C2 | C1 | C6 | 110.1° | 109.5° |
C1 | C2 | H21C | 109.5° | 109.5° |
C1 | C2 | H22C | 109.4° | 109.5° |
C1 | C2 | H23C | 109.4° | 109.4° |
C4 | C1 | C6 | 112.2° | 109.5° |
C1 | C4 | H41C | 109.5° | 109.4° |
C1 | C4 | H42C | 109.5° | 109.4° |
C1 | C4 | H43C | 109.4° | 109.5° |
C1 | C6 | H61C | 109.5° | 109.5° |
C1 | C6 | H62C | 109.5° | 109.4° |
C1 | C6 | H63C | 109.5° | 109.5° |
H821 | C82 | H822 | 109.5° | 109.5° |
H31C | C3 | H32C | 109.5° | 109.5° |
H51C | C5 | H52C | 109.5° | 109.5° |
H51C | C5 | H53C | 109.4° | 109.4° |
H52C | C5 | H53C | 109.5° | 109.5° |
H631 | C63 | H632 | 109.5° | 109.5° |
H591 | C59 | H592 | 109.5° | 109.5° |
H731 | C73 | H732 | 109.5° | 110.9° |
H711 | C71 | H712 | 109.5° | 110.2° |
H21C | C2 | H22C | 109.5° | 109.5° |
H21C | C2 | H23C | 109.4° | 109.5° |
H22C | C2 | H23C | 109.5° | 109.5° |
H41C | C4 | H42C | 109.5° | 109.5° |
H41C | C4 | H43C | 109.5° | 109.5° |
H42C | C4 | H43C | 109.5° | 109.5° |
H61C | C6 | H62C | 109.5° | 109.5° |
H61C | C6 | H63C | 109.5° | 109.4° |
H62C | C6 | H63C | 109.4° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O88 | C84 | O86 | C82 | 179.9° | 179.7° |
O88 | C84 | O86 | C3 | 9.2° | 0.0° |
O88 | C84 | C82 | C63 | 33.6° | 0.0° |
O88 | C84 | C82 | H821 | 154.3° | 120.0° |
O88 | C84 | C82 | H822 | 87.1° | 120.0° |
C84 | O86 | C3 | C5 | 131.5° | 180.0° |
O86 | C84 | C82 | C63 | 146.3° | 179.7° |
O86 | C84 | C82 | H821 | 25.5° | 60.3° |
O86 | C84 | C82 | H822 | 93.0° | 59.7° |
C84 | O86 | C3 | H31C | 11.1° | 60.1° |
C84 | O86 | C3 | H32C | 108.1° | 60.0° |
C82 | C84 | O86 | C3 | 170.7° | 179.7° |
C84 | C82 | C63 | H821 | 120.7° | 119.9° |
C84 | C82 | C63 | H822 | 120.7° | 120.0° |
C84 | C82 | C63 | C57 | 53.2° | 180.0° |
C84 | C82 | H821 | H822 | 117.7° | 120.0° |
C84 | C82 | C63 | H631 | 173.6° | 60.0° |
C84 | C82 | C63 | H632 | 67.3° | 60.0° |
O86 | C3 | C5 | H31C | 120.4° | 119.9° |
O86 | C3 | C5 | H32C | 120.4° | 120.0° |
O86 | C3 | H31C | H32C | 118.8° | 120.1° |
O86 | C3 | C5 | H51C | 180.0° | 60.1° |
O86 | C3 | C5 | H52C | 60.0° | 60.0° |
O86 | C3 | C5 | H53C | 60.0° | 180.0° |
C5 | C3 | H31C | H32C | 118.8° | 120.0° |
C3 | C5 | H51C | H52C | 120.0° | 120.1° |
C3 | C5 | H51C | H53C | 120.0° | 119.9° |
C3 | C5 | H52C | H53C | 120.0° | 120.0° |
C82 | C63 | C57 | H631 | 120.5° | 120.0° |
C82 | C63 | C57 | H632 | 120.5° | 120.0° |
C82 | C63 | C57 | C59 | 167.1° | 175.1° |
C82 | C63 | C57 | N49 | 74.2° | 65.0° |
C63 | C82 | H821 | H822 | 117.8° | 120.0° |
C82 | C63 | H631 | H632 | 118.5° | 120.0° |
C82 | C63 | C57 | H57 | 45.3° | 55.0° |
C63 | C57 | C59 | N49 | 117.5° | 120.0° |
C63 | C57 | C59 | H57 | 121.8° | 120.1° |
C63 | C57 | N49 | H57 | 118.9° | 120.1° |
C63 | C57 | C59 | C61 | 174.8° | 65.9° |
C63 | C57 | N49 | C39 | 112.6° | 152.2° |
C57 | C63 | C82 | H821 | 67.6° | 60.0° |
C57 | C63 | C82 | H822 | 173.9° | 60.0° |
C57 | C63 | H631 | H632 | 118.5° | 120.0° |
C63 | C57 | C59 | H591 | 64.5° | 174.2° |
C63 | C57 | C59 | H592 | 54.2° | 54.1° |
C63 | C57 | N49 | H49 | 67.4° | 27.6° |
C59 | C57 | N49 | H57 | 120.2° | 120.0° |
C57 | C59 | C61 | H591 | 120.6° | 120.0° |
C57 | C59 | C61 | H592 | 120.6° | 120.0° |
C57 | C59 | C61 | C73 | 47.7° | 173.6° |
C57 | C59 | C61 | C65 | 164.6° | 71.6° |
C59 | C57 | N49 | C39 | 126.5° | 87.8° |
C59 | C57 | C63 | H631 | 72.4° | 64.9° |
C59 | C57 | C63 | H632 | 46.6° | 55.1° |
C57 | C59 | H591 | H592 | 118.0° | 120.1° |
C59 | C57 | N49 | H49 | 53.5° | 92.3° |
C57 | C59 | C61 | H61 | 74.0° | 51.1° |
N49 | C57 | C59 | C61 | 67.6° | 174.2° |
C57 | N49 | C39 | H49 | 180.0° | 179.9° |
C57 | N49 | C39 | O47 | 1.4° | 5.3° |
C57 | N49 | C39 | O37 | 178.9° | 174.7° |
N49 | C57 | C63 | H631 | 46.2° | 55.0° |
N49 | C57 | C63 | H632 | 165.3° | 175.0° |
N49 | C57 | C59 | H591 | 53.0° | 54.2° |
N49 | C57 | C59 | H592 | 171.8° | 65.8° |
C59 | C61 | C73 | C65 | 124.0° | 118.7° |
C59 | C61 | C73 | H61 | 121.7° | 122.5° |
C59 | C61 | C65 | H61 | 121.2° | 122.6° |
C59 | C61 | C73 | C71 | 146.1° | 143.5° |
C59 | C61 | C65 | N69 | 140.7° | 134.9° |
C59 | C61 | C65 | O66 | 39.4° | 45.1° |
C61 | C59 | C57 | H57 | 53.1° | 54.2° |
C61 | C59 | H591 | H592 | 118.1° | 120.0° |
C59 | C61 | C73 | H731 | 26.7° | 25.5° |
C59 | C61 | C73 | H732 | 94.4° | 98.4° |
C73 | C61 | C65 | H61 | 113.9° | 118.7° |
C61 | C73 | C71 | H731 | 119.5° | 118.1° |
C61 | C73 | C71 | H732 | 119.5° | 118.2° |
C61 | C73 | C71 | N69 | 20.4° | 25.4° |
C73 | C61 | C65 | N69 | 15.8° | 16.3° |
C73 | C61 | C65 | O66 | 164.3° | 163.8° |
C73 | C61 | C59 | H591 | 168.3° | 66.4° |
C73 | C61 | C59 | H592 | 72.9° | 53.6° |
C61 | C73 | H731 | H732 | 121.6° | 123.9° |
C61 | C73 | C71 | H711 | 138.9° | 144.5° |
C61 | C73 | C71 | H712 | 98.0° | 93.6° |
C65 | C61 | C73 | C71 | 22.1° | 24.8° |
C61 | C65 | N69 | C71 | 2.7° | 0.4° |
C61 | C65 | N69 | O66 | 180.0° | 179.9° |
C65 | C61 | C59 | H591 | 74.8° | 48.4° |
C65 | C61 | C59 | H592 | 44.0° | 168.3° |
C65 | C61 | C73 | H731 | 97.4° | 93.2° |
C65 | C61 | C73 | H732 | 141.6° | 142.9° |
C61 | C65 | N69 | H69 | 177.3° | 179.6° |
C73 | C71 | N69 | H711 | 118.4° | 119.0° |
C73 | C71 | N69 | H712 | 118.5° | 119.0° |
C73 | C71 | N69 | C65 | 11.7° | 17.0° |
C71 | C73 | C61 | H61 | 92.1° | 94.0° |
C71 | C73 | H731 | H732 | 121.6° | 123.8° |
C73 | C71 | H711 | H712 | 124.4° | 121.9° |
C73 | C71 | N69 | H69 | 168.3° | 163.0° |
C71 | N69 | C65 | H69 | 180.0° | 180.0° |
C71 | N69 | C65 | O66 | 177.3° | 179.6° |
N69 | C71 | C73 | H731 | 99.0° | 92.7° |
N69 | C71 | C73 | H732 | 139.9° | 143.5° |
N69 | C71 | H711 | H712 | 124.4° | 122.0° |
N69 | C65 | C61 | H61 | 98.1° | 102.5° |
C65 | N69 | C71 | H711 | 130.1° | 136.0° |
C65 | N69 | C71 | H712 | 106.8° | 102.0° |
O66 | C65 | C61 | H61 | 81.8° | 77.5° |
O66 | C65 | N69 | H69 | 2.7° | 0.4° |
N49 | C39 | O47 | O37 | 179.7° | 179.9° |
N49 | C39 | O37 | C1 | 160.2° | 179.9° |
C39 | N49 | C57 | H57 | 6.3° | 32.1° |
O47 | C39 | O37 | C1 | 20.1° | 0.0° |
O47 | C39 | N49 | H49 | 178.5° | 174.8° |
C39 | O37 | C1 | C2 | 174.9° | 60.1° |
C39 | O37 | C1 | C4 | 57.1° | 180.0° |
C39 | O37 | C1 | C6 | 67.1° | 60.0° |
O37 | C39 | N49 | H49 | 1.1° | 5.1° |
O37 | C1 | C2 | C4 | 117.7° | 120.0° |
O37 | C1 | C2 | C6 | 118.1° | 120.0° |
O37 | C1 | C4 | C6 | 123.0° | 120.1° |
O37 | C1 | C2 | H21C | 180.0° | 59.9° |
O37 | C1 | C2 | H22C | 60.0° | 180.0° |
O37 | C1 | C2 | H23C | 60.0° | 60.0° |
O37 | C1 | C4 | H41C | 180.0° | 60.0° |
O37 | C1 | C4 | H42C | 60.0° | 180.0° |
O37 | C1 | C4 | H43C | 60.0° | 59.9° |
O37 | C1 | C6 | H61C | 180.0° | 60.0° |
O37 | C1 | C6 | H62C | 60.0° | 180.0° |
O37 | C1 | C6 | H63C | 60.0° | 60.0° |
C2 | C1 | C4 | C6 | 122.9° | 120.0° |
C1 | C2 | H21C | H22C | 120.0° | 120.0° |
C1 | C2 | H21C | H23C | 120.0° | 119.9° |
C1 | C2 | H22C | H23C | 120.0° | 119.9° |
C2 | C1 | C4 | H41C | 65.9° | 180.0° |
C2 | C1 | C4 | H42C | 174.1° | 60.0° |
C2 | C1 | C4 | H43C | 54.1° | 60.0° |
C2 | C1 | C6 | H61C | 65.7° | 60.0° |
C2 | C1 | C6 | H62C | 54.3° | 60.0° |
C2 | C1 | C6 | H63C | 174.3° | 180.0° |
C4 | C1 | C2 | H21C | 62.3° | 60.0° |
C4 | C1 | C2 | H22C | 57.7° | 60.0° |
C4 | C1 | C2 | H23C | 177.8° | 180.0° |
C1 | C4 | H41C | H42C | 120.0° | 120.0° |
C1 | C4 | H41C | H43C | 120.0° | 120.0° |
C1 | C4 | H42C | H43C | 119.9° | 120.0° |
C4 | C1 | C6 | H61C | 57.2° | 180.0° |
C4 | C1 | C6 | H62C | 177.2° | 60.0° |
C4 | C1 | C6 | H63C | 62.8° | 60.0° |
C6 | C1 | C2 | H21C | 61.8° | 180.0° |
C6 | C1 | C2 | H22C | 178.1° | 60.0° |
C6 | C1 | C2 | H23C | 58.1° | 60.0° |
C6 | C1 | C4 | H41C | 57.0° | 60.0° |
C6 | C1 | C4 | H42C | 63.0° | 60.0° |
C6 | C1 | C4 | H43C | 177.0° | 180.0° |
C1 | C6 | H61C | H62C | 120.1° | 120.0° |
C1 | C6 | H61C | H63C | 120.0° | 120.0° |
C1 | C6 | H62C | H63C | 120.0° | 120.0° |
H821 | C82 | C63 | H631 | 52.9° | 180.0° |
H821 | C82 | C63 | H632 | 172.0° | 60.0° |
H822 | C82 | C63 | H631 | 65.7° | 60.0° |
H822 | C82 | C63 | H632 | 53.4° | 180.0° |
H31C | C3 | C5 | H51C | 59.6° | 180.0° |
H31C | C3 | C5 | H52C | 179.6° | 60.0° |
H31C | C3 | C5 | H53C | 60.4° | 60.0° |
H32C | C3 | C5 | H51C | 59.6° | 59.9° |
H32C | C3 | C5 | H52C | 60.4° | 180.0° |
H32C | C3 | C5 | H53C | 179.6° | 60.0° |
H51C | C5 | H52C | H53C | 120.0° | 120.0° |
H631 | C63 | C57 | H57 | 165.8° | 175.0° |
H632 | C63 | C57 | H57 | 75.2° | 65.0° |
H57 | C57 | C59 | H591 | 173.7° | 65.7° |
H57 | C57 | C59 | H592 | 67.5° | 174.2° |
H57 | C57 | N49 | H49 | 173.7° | 147.7° |
H591 | C59 | C61 | H61 | 46.6° | 171.1° |
H592 | C59 | C61 | H61 | 165.4° | 69.0° |
H61 | C61 | C73 | H731 | 148.4° | 147.9° |
H61 | C61 | C73 | H732 | 27.3° | 24.1° |
H731 | C73 | C71 | H711 | 19.4° | 26.4° |
H731 | C73 | C71 | H712 | 142.5° | 148.3° |
H732 | C73 | C71 | H711 | 101.7° | 97.4° |
H732 | C73 | C71 | H712 | 21.5° | 24.5° |
H711 | C71 | N69 | H69 | 49.9° | 44.0° |
H712 | C71 | N69 | H69 | 73.2° | 78.0° |
H21C | C2 | H22C | H23C | 120.0° | 120.1° |
H41C | C4 | H42C | H43C | 120.0° | 120.1° |
H61C | C6 | H62C | H63C | 120.0° | 120.0° |