CAM
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C2 | sing | 1.53Å | 1.51Å | |
C1 | C6 | sing | 1.58Å | 1.54Å | |
C1 | C7 | sing | 1.57Å | 1.52Å | |
C1 | C10 | sing | 1.53Å | 1.51Å | |
C2 | O | doub | 1.21Å | 1.23Å | |
C2 | C3 | sing | 1.53Å | 1.49Å | |
C3 | C4 | sing | 1.56Å | 1.54Å | |
C3 | H31 | sing | 1.09Å | 1.11Å | |
C3 | H32 | sing | 1.09Å | 1.12Å | |
C4 | C5 | sing | 1.56Å | 1.57Å | |
C4 | C7 | sing | 1.57Å | 1.52Å | |
C4 | H4 | sing | 1.09Å | 1.12Å | |
C5 | C6 | sing | 1.55Å | 1.56Å | |
C5 | H51 | sing | 1.09Å | 1.12Å | |
C5 | H52 | sing | 1.09Å | 1.12Å | |
C6 | H61 | sing | 1.09Å | 1.11Å | |
C6 | H62 | sing | 1.09Å | 1.12Å | |
C7 | C8 | sing | 1.53Å | 1.56Å | |
C7 | C9 | sing | 1.53Å | 1.55Å | |
C8 | H81 | sing | 1.09Å | 1.12Å | |
C8 | H82 | sing | 1.09Å | 1.11Å | |
C8 | H83 | sing | 1.09Å | 1.11Å | |
C9 | H91 | sing | 1.09Å | 1.12Å | |
C9 | H92 | sing | 1.09Å | 1.12Å | |
C9 | H93 | sing | 1.09Å | 1.11Å | |
C10 | H101 | sing | 1.09Å | 1.12Å | |
C10 | H102 | sing | 1.09Å | 1.11Å | |
C10 | H103 | sing | 1.09Å | 1.11Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | C1 | C6 | 107.1° | 104.6° |
C2 | C1 | C7 | 95.3° | 101.7° |
C2 | C1 | C10 | 113.1° | 116.4° |
C1 | C2 | O | 123.1° | 127.4° |
C1 | C2 | C3 | 113.0° | 104.9° |
C6 | C1 | C7 | 104.2° | 100.0° |
C6 | C1 | C10 | 120.3° | 115.8° |
C1 | C6 | C5 | 99.6° | 104.4° |
C1 | C6 | H61 | 116.1° | 110.9° |
C1 | C6 | H62 | 116.1° | 110.2° |
C7 | C1 | C10 | 113.7° | 116.1° |
C1 | C7 | C4 | 96.2° | 95.8° |
C1 | C7 | C8 | 112.1° | 112.1° |
C1 | C7 | C9 | 111.1° | 112.2° |
C1 | C10 | H101 | 113.0° | 109.5° |
C1 | C10 | H102 | 110.9° | 109.4° |
C1 | C10 | H103 | 110.9° | 109.6° |
O | C2 | C3 | 123.8° | 127.7° |
C2 | C3 | C4 | 96.7° | 104.8° |
C2 | C3 | H31 | 117.2° | 110.3° |
C2 | C3 | H32 | 117.2° | 110.4° |
C4 | C3 | H31 | 117.2° | 109.2° |
C4 | C3 | H32 | 117.1° | 111.6° |
C3 | C4 | C5 | 105.9° | 105.1° |
C3 | C4 | C7 | 102.5° | 100.2° |
C3 | C4 | H4 | 113.5° | 116.0° |
H31 | C3 | H32 | 93.2° | 110.4° |
C5 | C4 | C7 | 101.0° | 100.6° |
C5 | C4 | H4 | 114.7° | 116.1° |
C4 | C5 | C6 | 106.4° | 104.4° |
C4 | C5 | H51 | 113.4° | 110.5° |
C4 | C5 | H52 | 113.4° | 110.5° |
C7 | C4 | H4 | 117.6° | 116.5° |
C4 | C7 | C8 | 111.1° | 112.1° |
C4 | C7 | C9 | 111.7° | 112.1° |
C6 | C5 | H51 | 113.4° | 110.4° |
C6 | C5 | H52 | 113.3° | 110.4° |
C5 | C6 | H61 | 116.0° | 110.4° |
C5 | C6 | H62 | 116.0° | 110.4° |
H51 | C5 | H52 | 97.0° | 110.5° |
H61 | C6 | H62 | 94.4° | 110.4° |
C8 | C7 | C9 | 113.5° | 111.7° |
C7 | C8 | H81 | 112.1° | 109.5° |
C7 | C8 | H82 | 111.2° | 109.5° |
C7 | C8 | H83 | 111.2° | 109.5° |
C7 | C9 | H91 | 111.1° | 109.6° |
C7 | C9 | H92 | 111.6° | 109.4° |
C7 | C9 | H93 | 111.6° | 109.5° |
H81 | C8 | H82 | 111.2° | 109.4° |
H81 | C8 | H83 | 111.3° | 109.4° |
H82 | C8 | H83 | 99.2° | 109.5° |
H91 | C9 | H92 | 111.6° | 109.4° |
H91 | C9 | H93 | 111.6° | 109.5° |
H92 | C9 | H93 | 98.7° | 109.4° |
H101 | C10 | H102 | 110.9° | 109.5° |
H101 | C10 | H103 | 110.9° | 109.4° |
H102 | C10 | H103 | 99.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C1 | C6 | C7 | 100.2° | 104.9° |
C2 | C1 | C6 | C10 | 130.8° | 129.5° |
C2 | C1 | C7 | C10 | 118.0° | 127.4° |
C1 | C2 | O | C3 | 176.0° | 179.2° |
C1 | C2 | C3 | C4 | 1.1° | 1.1° |
C1 | C2 | C3 | H31 | 124.1° | 118.6° |
C1 | C2 | C3 | H32 | 126.3° | 119.2° |
C2 | C1 | C7 | C4 | 52.8° | 52.9° |
C2 | C1 | C6 | C5 | 62.6° | 70.5° |
C2 | C1 | C6 | H61 | 62.7° | 170.6° |
C2 | C1 | C6 | H62 | 172.2° | 48.0° |
C2 | C1 | C7 | C8 | 63.0° | 63.8° |
C2 | C1 | C7 | C9 | 168.8° | 169.6° |
C2 | C1 | C10 | H101 | 180.0° | 62.5° |
C2 | C1 | C10 | H102 | 54.8° | 57.5° |
C2 | C1 | C10 | H103 | 54.8° | 177.5° |
C6 | C1 | C7 | C10 | 132.8° | 125.3° |
C6 | C1 | C2 | O | 110.6° | 109.8° |
C6 | C1 | C2 | C3 | 73.0° | 70.9° |
C1 | C6 | C5 | C4 | 4.6° | 0.1° |
C6 | C1 | C7 | C4 | 56.4° | 54.4° |
C1 | C6 | C5 | H61 | 125.3° | 119.2° |
C1 | C6 | C5 | H62 | 125.3° | 118.5° |
C1 | C6 | C5 | H51 | 129.9° | 118.8° |
C1 | C6 | C5 | H52 | 120.7° | 118.7° |
C1 | C6 | H61 | H62 | 121.9° | 122.5° |
C6 | C1 | C7 | C8 | 172.1° | 171.1° |
C6 | C1 | C7 | C9 | 59.7° | 62.3° |
C6 | C1 | C10 | H101 | 51.8° | 61.0° |
C6 | C1 | C10 | H102 | 73.4° | 179.0° |
C6 | C1 | C10 | H103 | 177.1° | 59.0° |
C7 | C1 | C2 | O | 142.8° | 146.6° |
C7 | C1 | C2 | C3 | 33.6° | 32.7° |
C1 | C7 | C4 | C3 | 58.8° | 52.8° |
C1 | C7 | C4 | C5 | 50.4° | 54.8° |
C1 | C7 | C4 | C8 | 116.6° | 116.7° |
C1 | C7 | C4 | C9 | 115.6° | 116.8° |
C1 | C7 | C4 | H4 | 176.0° | 178.8° |
C7 | C1 | C6 | C5 | 37.6° | 34.4° |
C7 | C1 | C6 | H61 | 162.9° | 84.5° |
C7 | C1 | C6 | H62 | 87.6° | 153.0° |
C1 | C7 | C8 | C9 | 126.9° | 126.8° |
C1 | C7 | C8 | H81 | 180.0° | 173.9° |
C1 | C7 | C8 | H82 | 54.8° | 66.1° |
C1 | C7 | C8 | H83 | 54.7° | 53.9° |
C1 | C7 | C9 | H91 | 180.0° | 173.9° |
C1 | C7 | C9 | H92 | 54.8° | 53.9° |
C1 | C7 | C9 | H93 | 54.7° | 66.0° |
C7 | C1 | C10 | H101 | 72.8° | 177.8° |
C7 | C1 | C10 | H102 | 162.0° | 62.2° |
C7 | C1 | C10 | H103 | 52.5° | 57.8° |
C10 | C1 | C2 | O | 24.2° | 19.4° |
C10 | C1 | C2 | C3 | 152.2° | 159.9° |
C10 | C1 | C7 | C4 | 170.8° | 179.7° |
C10 | C1 | C6 | C5 | 166.6° | 159.9° |
C10 | C1 | C6 | H61 | 68.1° | 41.1° |
C10 | C1 | C6 | H62 | 41.4° | 81.5° |
C10 | C1 | C7 | C8 | 55.1° | 63.6° |
C10 | C1 | C7 | C9 | 73.1° | 63.0° |
C1 | C10 | H101 | H102 | 125.2° | 120.0° |
C1 | C10 | H101 | H103 | 125.2° | 120.1° |
C1 | C10 | H102 | H103 | 116.8° | 120.1° |
O | C2 | C3 | C4 | 177.5° | 179.6° |
O | C2 | C3 | H31 | 52.3° | 62.1° |
O | C2 | C3 | H32 | 57.3° | 60.2° |
C2 | C3 | C4 | H31 | 125.3° | 118.2° |
C2 | C3 | C4 | H32 | 125.2° | 119.5° |
C2 | C3 | H31 | H32 | 122.9° | 122.3° |
C2 | C3 | C4 | C5 | 69.3° | 69.7° |
C2 | C3 | C4 | C7 | 36.1° | 34.4° |
C2 | C3 | C4 | H4 | 164.0° | 160.7° |
C4 | C3 | H31 | H32 | 122.8° | 123.0° |
C3 | C4 | C5 | C7 | 106.6° | 103.8° |
C3 | C4 | C5 | H4 | 125.9° | 129.6° |
C3 | C4 | C7 | H4 | 125.2° | 126.0° |
C3 | C4 | C5 | C6 | 77.5° | 69.5° |
C3 | C4 | C5 | H51 | 157.2° | 171.8° |
C3 | C4 | C5 | H52 | 47.8° | 49.3° |
C3 | C4 | C7 | C8 | 57.8° | 63.9° |
C3 | C4 | C7 | C9 | 174.4° | 169.6° |
H31 | C3 | C4 | C5 | 165.4° | 48.5° |
H31 | C3 | C4 | C7 | 89.1° | 152.6° |
H31 | C3 | C4 | H4 | 38.7° | 81.1° |
H32 | C3 | C4 | C5 | 55.9° | 170.8° |
H32 | C3 | C4 | C7 | 161.4° | 85.1° |
H32 | C3 | C4 | H4 | 70.8° | 41.2° |
C5 | C4 | C7 | H4 | 125.6° | 126.4° |
C4 | C5 | C6 | H51 | 125.3° | 118.7° |
C4 | C5 | C6 | H52 | 125.3° | 118.8° |
C4 | C5 | H51 | H52 | 119.3° | 122.6° |
C4 | C5 | C6 | H61 | 130.0° | 119.1° |
C4 | C5 | C6 | H62 | 120.7° | 118.6° |
C5 | C4 | C7 | C8 | 167.0° | 171.5° |
C5 | C4 | C7 | C9 | 65.2° | 62.0° |
C7 | C4 | C5 | C6 | 29.1° | 34.3° |
C7 | C4 | C5 | H51 | 96.2° | 84.4° |
C7 | C4 | C5 | H52 | 154.4° | 153.0° |
C4 | C7 | C8 | C9 | 126.8° | 126.7° |
C4 | C7 | C8 | H81 | 73.7° | 67.5° |
C4 | C7 | C8 | H82 | 161.1° | 172.6° |
C4 | C7 | C8 | H83 | 51.6° | 52.5° |
C4 | C7 | C9 | H91 | 73.9° | 67.4° |
C4 | C7 | C9 | H92 | 51.3° | 52.6° |
C4 | C7 | C9 | H93 | 160.8° | 172.5° |
H4 | C4 | C5 | C6 | 156.6° | 160.9° |
H4 | C4 | C5 | H51 | 31.3° | 42.2° |
H4 | C4 | C5 | H52 | 78.2° | 80.3° |
H4 | C4 | C7 | C8 | 67.4° | 62.1° |
H4 | C4 | C7 | C9 | 60.4° | 64.4° |
C6 | C5 | H51 | H52 | 119.2° | 122.4° |
C5 | C6 | H61 | H62 | 121.7° | 122.3° |
H51 | C5 | C6 | H61 | 104.8° | 0.4° |
H51 | C5 | C6 | H62 | 4.6° | 122.7° |
H52 | C5 | C6 | H61 | 4.6° | 122.1° |
H52 | C5 | C6 | H62 | 114.0° | 0.2° |
C7 | C8 | H81 | H82 | 125.2° | 120.0° |
C7 | C8 | H81 | H83 | 125.3° | 120.0° |
C7 | C8 | H82 | H83 | 117.1° | 120.1° |
C8 | C7 | C9 | H91 | 52.5° | 59.3° |
C8 | C7 | C9 | H92 | 177.8° | 179.3° |
C8 | C7 | C9 | H93 | 72.8° | 60.8° |
C9 | C7 | C8 | H81 | 53.1° | 59.3° |
C9 | C7 | C8 | H82 | 72.1° | 60.7° |
C9 | C7 | C8 | H83 | 178.4° | 179.2° |
C7 | C9 | H91 | H92 | 125.3° | 120.0° |
C7 | C9 | H91 | H93 | 125.3° | 120.1° |
C7 | C9 | H92 | H93 | 117.5° | 120.0° |
H81 | C8 | H82 | H83 | 117.2° | 120.0° |
H91 | C9 | H92 | H93 | 117.5° | 120.0° |
H101 | C10 | H102 | H103 | 116.8° | 119.9° |