9AM
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C2 | sing | 1.47Å | 1.39Å | |
C1 | O1A | doub | 1.22Å | 1.25Å | |
C1 | O1B | sing | 1.35Å | 1.25Å | |
C2 | C3 | doub | 1.32Å | 1.36Å | |
C2 | O6 | sing | 1.34Å | 1.39Å | |
C3 | C4 | sing | 1.51Å | 1.55Å | |
C3 | H3 | sing | 1.08Å | 1.10Å | |
C4 | C5 | sing | 1.53Å | 1.53Å | |
C4 | O4 | sing | 1.43Å | 1.38Å | |
C4 | H4 | sing | 1.09Å | 1.12Å | |
C5 | C6 | sing | 1.53Å | 1.55Å | |
C5 | N5 | sing | 1.46Å | 1.47Å | |
C5 | H5 | sing | 1.09Å | 1.11Å | |
C6 | C7 | sing | 1.53Å | 1.58Å | |
C6 | O6 | sing | 1.42Å | 1.47Å | |
C6 | H6 | sing | 1.09Å | 1.12Å | |
C7 | C8 | sing | 1.53Å | 1.52Å | |
C7 | O7 | sing | 1.43Å | 1.45Å | |
C7 | H7 | sing | 1.09Å | 1.12Å | |
C8 | C9 | sing | 1.53Å | 1.52Å | |
C8 | O8 | sing | 1.43Å | 1.38Å | |
C8 | H8 | sing | 1.09Å | 1.12Å | |
C9 | N9 | sing | 1.47Å | 1.49Å | |
C9 | H91 | sing | 1.09Å | 1.11Å | |
C9 | H92 | sing | 1.09Å | 1.11Å | |
C10 | C11 | sing | 1.51Å | 1.54Å | |
C10 | N5 | sing | 1.35Å | 1.33Å | |
C10 | O10 | doub | 1.21Å | 1.23Å | |
C11 | H111 | sing | 1.09Å | 1.12Å | |
C11 | H112 | sing | 1.09Å | 1.12Å | |
C11 | H113 | sing | 1.09Å | 1.11Å | |
N5 | HN5 | sing | 0.97Å | 1.02Å | |
O1B | HOB1 | sing | 0.97Å | 0.95Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å | |
O7 | HO7 | sing | 0.97Å | 0.95Å | |
O8 | HO8 | sing | 0.97Å | 0.95Å | |
N9 | HN91 | sing | 1.01Å | 1.02Å | |
N9 | HN92 | sing | 1.01Å | 1.02Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | C1 | O1A | 116.4° | 120.0° |
C2 | C1 | O1B | 121.6° | 120.0° |
C1 | C2 | C3 | 125.5° | 116.8° |
C1 | C2 | O6 | 115.9° | 116.8° |
O1A | C1 | O1B | 122.0° | 120.0° |
C1 | O1B | HOB1 | 121.6° | 120.0° |
C3 | C2 | O6 | 118.5° | 126.5° |
C2 | C3 | C4 | 121.6° | 122.3° |
C2 | C3 | H3 | 112.7° | 118.9° |
C2 | O6 | C6 | 122.3° | 110.2° |
C4 | C3 | H3 | 125.7° | 118.9° |
C3 | C4 | C5 | 110.6° | 108.1° |
C3 | C4 | O4 | 106.1° | 109.7° |
C3 | C4 | H4 | 111.2° | 109.7° |
C5 | C4 | O4 | 110.2° | 109.8° |
C5 | C4 | H4 | 107.2° | 109.7° |
C4 | C5 | C6 | 108.3° | 107.5° |
C4 | C5 | N5 | 109.5° | 109.9° |
C4 | C5 | H5 | 110.6° | 109.8° |
O4 | C4 | H4 | 111.5° | 109.7° |
C4 | O4 | HO4 | 106.2° | 106.8° |
C6 | C5 | N5 | 110.5° | 109.9° |
C6 | C5 | H5 | 109.6° | 109.8° |
C5 | C6 | C7 | 114.5° | 109.6° |
C5 | C6 | O6 | 109.3° | 109.3° |
C5 | C6 | H6 | 105.2° | 109.4° |
N5 | C5 | H5 | 108.4° | 109.8° |
C5 | N5 | C10 | 123.6° | 120.1° |
C5 | N5 | HN5 | 123.7° | 120.0° |
C7 | C6 | O6 | 106.5° | 109.5° |
C7 | C6 | H6 | 108.2° | 109.5° |
C6 | C7 | C8 | 107.9° | 109.5° |
C6 | C7 | O7 | 106.2° | 109.5° |
C6 | C7 | H7 | 113.0° | 109.5° |
O6 | C6 | H6 | 113.4° | 109.5° |
C8 | C7 | O7 | 110.8° | 109.4° |
C8 | C7 | H7 | 108.6° | 109.5° |
C7 | C8 | C9 | 113.5° | 109.6° |
C7 | C8 | O8 | 107.6° | 109.4° |
C7 | C8 | H8 | 107.9° | 109.5° |
O7 | C7 | H7 | 110.3° | 109.4° |
C7 | O7 | HO7 | 106.1° | 106.8° |
C9 | C8 | O8 | 109.0° | 109.4° |
C9 | C8 | H8 | 106.5° | 109.5° |
C8 | C9 | N9 | 112.7° | 109.5° |
C8 | C9 | H91 | 111.0° | 109.4° |
C8 | C9 | H92 | 111.0° | 109.5° |
O8 | C8 | H8 | 112.4° | 109.4° |
C8 | O8 | HO8 | 107.7° | 106.8° |
N9 | C9 | H91 | 111.0° | 109.5° |
N9 | C9 | H92 | 111.1° | 109.5° |
C9 | N9 | HN91 | 112.7° | 106.7° |
C9 | N9 | HN92 | 111.0° | 106.7° |
H91 | C9 | H92 | 99.3° | 109.4° |
C11 | C10 | N5 | 117.7° | 120.1° |
C11 | C10 | O10 | 119.4° | 120.0° |
C10 | C11 | H111 | 117.7° | 109.5° |
C10 | C11 | H112 | 109.2° | 109.4° |
C10 | C11 | H113 | 109.3° | 109.5° |
N5 | C10 | O10 | 122.9° | 120.0° |
C10 | N5 | HN5 | 112.7° | 119.9° |
H111 | C11 | H112 | 109.2° | 109.4° |
H111 | C11 | H113 | 109.3° | 109.5° |
H112 | C11 | H113 | 100.8° | 109.5° |
HN91 | N9 | HN92 | 111.0° | 106.7° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C1 | O1A | O1B | 179.9° | 180.0° |
C1 | C2 | C3 | O6 | 176.5° | 179.9° |
C1 | C2 | C3 | C4 | 169.4° | 179.2° |
C1 | C2 | C3 | H3 | 10.6° | 0.8° |
C1 | C2 | O6 | C6 | 162.5° | 156.1° |
C2 | C1 | O1B | HOB1 | 180.0° | 180.0° |
O1A | C1 | C2 | C3 | 179.6° | 0.0° |
O1A | C1 | C2 | O6 | 3.8° | 180.0° |
O1A | C1 | O1B | HOB1 | 0.1° | 0.0° |
O1B | C1 | C2 | C3 | 0.4° | 180.0° |
O1B | C1 | C2 | O6 | 176.1° | 0.0° |
C2 | C3 | C4 | H3 | 180.0° | 179.9° |
C2 | C3 | C4 | C5 | 31.7° | 12.0° |
C2 | C3 | C4 | O4 | 151.2° | 131.7° |
C2 | C3 | C4 | H4 | 87.3° | 107.6° |
C3 | C2 | O6 | C6 | 20.7° | 23.9° |
O6 | C2 | C3 | C4 | 14.1° | 0.9° |
O6 | C2 | C3 | H3 | 165.9° | 179.2° |
C2 | O6 | C6 | C5 | 43.0° | 56.9° |
C2 | O6 | C6 | C7 | 167.1° | 177.0° |
C2 | O6 | C6 | H6 | 74.1° | 62.9° |
C3 | C4 | C5 | O4 | 117.0° | 119.7° |
C3 | C4 | C5 | H4 | 121.4° | 119.6° |
C3 | C4 | O4 | H4 | 121.2° | 120.6° |
C3 | C4 | C5 | C6 | 51.7° | 42.6° |
C3 | C4 | C5 | N5 | 172.2° | 162.2° |
C3 | C4 | C5 | H5 | 68.4° | 76.8° |
C3 | C4 | O4 | HO4 | 179.9° | 61.3° |
H3 | C3 | C4 | C5 | 148.3° | 168.1° |
H3 | C3 | C4 | O4 | 28.8° | 48.3° |
H3 | C3 | C4 | H4 | 92.6° | 72.3° |
C5 | C4 | O4 | H4 | 119.0° | 120.7° |
C4 | C5 | C6 | N5 | 119.9° | 119.6° |
C4 | C5 | C6 | H5 | 120.7° | 119.4° |
C4 | C5 | N5 | H5 | 120.7° | 121.0° |
C4 | C5 | C6 | C7 | 176.4° | 171.4° |
C4 | C5 | C6 | O6 | 57.1° | 68.6° |
C4 | C5 | C6 | H6 | 65.0° | 51.3° |
C4 | C5 | N5 | C10 | 120.3° | 90.9° |
C4 | C5 | N5 | HN5 | 59.7° | 89.0° |
C5 | C4 | O4 | HO4 | 60.3° | 179.9° |
O4 | C4 | C5 | C6 | 168.8° | 162.3° |
O4 | C4 | C5 | N5 | 70.7° | 78.1° |
O4 | C4 | C5 | H5 | 48.6° | 42.9° |
H4 | C4 | C5 | C6 | 69.7° | 77.0° |
H4 | C4 | C5 | N5 | 50.9° | 42.6° |
H4 | C4 | C5 | H5 | 170.2° | 163.6° |
H4 | C4 | O4 | HO4 | 58.7° | 59.3° |
C6 | C5 | N5 | H5 | 120.1° | 121.0° |
C5 | C6 | C7 | O6 | 120.9° | 119.9° |
C5 | C6 | C7 | H6 | 116.9° | 120.0° |
C5 | C6 | O6 | H6 | 117.0° | 119.8° |
C5 | C6 | C7 | C8 | 173.1° | 179.9° |
C5 | C6 | C7 | O7 | 68.1° | 59.9° |
C5 | C6 | C7 | H7 | 52.9° | 60.1° |
C6 | C5 | N5 | C10 | 120.6° | 151.0° |
C6 | C5 | N5 | HN5 | 59.5° | 29.0° |
N5 | C5 | C6 | C7 | 63.7° | 51.8° |
N5 | C5 | C6 | O6 | 177.0° | 171.9° |
N5 | C5 | C6 | H6 | 54.9° | 68.2° |
C5 | N5 | C10 | C11 | 179.0° | 180.0° |
C5 | N5 | C10 | HN5 | 179.9° | 179.9° |
C5 | N5 | C10 | O10 | 1.2° | 0.0° |
H5 | C5 | C6 | C7 | 55.7° | 69.2° |
H5 | C5 | C6 | O6 | 63.6° | 50.9° |
H5 | C5 | C6 | H6 | 174.3° | 170.8° |
H5 | C5 | N5 | C10 | 0.4° | 30.0° |
H5 | C5 | N5 | HN5 | 179.6° | 150.0° |
C7 | C6 | O6 | H6 | 118.8° | 120.1° |
C6 | C7 | C8 | O7 | 115.8° | 120.0° |
C6 | C7 | C8 | H7 | 122.9° | 120.1° |
C6 | C7 | O7 | H7 | 122.8° | 120.1° |
C6 | C7 | C8 | C9 | 159.8° | 180.0° |
C6 | C7 | C8 | O8 | 79.5° | 60.0° |
C6 | C7 | C8 | H8 | 42.0° | 59.9° |
C6 | C7 | O7 | HO7 | 180.0° | 60.0° |
O6 | C6 | C7 | C8 | 66.0° | 59.9° |
O6 | C6 | C7 | O7 | 52.8° | 60.0° |
O6 | C6 | C7 | H7 | 173.8° | 180.0° |
H6 | C6 | C7 | C8 | 56.2° | 60.2° |
H6 | C6 | C7 | O7 | 175.0° | 179.9° |
H6 | C6 | C7 | H7 | 64.0° | 59.9° |
C8 | C7 | O7 | H7 | 120.3° | 119.9° |
C7 | C8 | C9 | O8 | 120.0° | 120.0° |
C7 | C8 | C9 | H8 | 118.5° | 120.1° |
C7 | C8 | O8 | H8 | 118.6° | 120.0° |
C7 | C8 | C9 | N9 | 57.9° | 179.9° |
C7 | C8 | C9 | H91 | 176.8° | 60.0° |
C7 | C8 | C9 | H92 | 67.4° | 59.9° |
C8 | C7 | O7 | HO7 | 63.1° | 60.0° |
C7 | C8 | O8 | HO8 | 180.0° | 60.0° |
O7 | C7 | C8 | C9 | 43.9° | 60.0° |
O7 | C7 | C8 | O8 | 164.7° | 180.0° |
O7 | C7 | C8 | H8 | 73.8° | 60.1° |
H7 | C7 | C8 | C9 | 77.4° | 59.9° |
H7 | C7 | C8 | O8 | 43.4° | 60.1° |
H7 | C7 | C8 | H8 | 164.9° | 180.0° |
H7 | C7 | O7 | HO7 | 57.2° | 180.0° |
C9 | C8 | O8 | H8 | 117.8° | 119.9° |
C8 | C9 | N9 | H91 | 125.2° | 120.0° |
C8 | C9 | N9 | H92 | 125.2° | 120.0° |
C8 | C9 | H91 | H92 | 116.9° | 119.9° |
C9 | C8 | O8 | HO8 | 56.5° | 60.1° |
C8 | C9 | N9 | HN91 | 180.0° | 180.0° |
C8 | C9 | N9 | HN92 | 54.7° | 66.2° |
O8 | C8 | C9 | N9 | 62.1° | 59.9° |
O8 | C8 | C9 | H91 | 63.2° | 180.0° |
O8 | C8 | C9 | H92 | 172.7° | 60.1° |
H8 | C8 | C9 | N9 | 176.4° | 59.9° |
H8 | C8 | C9 | H91 | 58.3° | 60.1° |
H8 | C8 | C9 | H92 | 51.2° | 180.0° |
H8 | C8 | O8 | HO8 | 61.3° | 180.0° |
N9 | C9 | H91 | H92 | 117.0° | 120.0° |
C9 | N9 | HN91 | HN92 | 125.2° | 113.8° |
H91 | C9 | N9 | HN91 | 54.7° | 60.0° |
H91 | C9 | N9 | HN92 | 70.5° | 173.8° |
H92 | C9 | N9 | HN91 | 54.8° | 60.0° |
H92 | C9 | N9 | HN92 | 179.9° | 53.8° |
C11 | C10 | N5 | O10 | 179.8° | 180.0° |
C10 | C11 | H111 | H112 | 125.2° | 119.9° |
C10 | C11 | H111 | H113 | 125.3° | 120.1° |
C10 | C11 | H112 | H113 | 115.0° | 120.0° |
C11 | C10 | N5 | HN5 | 0.9° | 0.1° |
N5 | C10 | C11 | H111 | 180.0° | 179.9° |
N5 | C10 | C11 | H112 | 54.7° | 60.0° |
N5 | C10 | C11 | H113 | 54.7° | 60.0° |
O10 | C10 | C11 | H111 | 0.2° | 0.1° |
O10 | C10 | C11 | H112 | 125.4° | 120.0° |
O10 | C10 | C11 | H113 | 125.1° | 120.0° |
O10 | C10 | N5 | HN5 | 178.9° | 179.9° |
H111 | C11 | H112 | H113 | 115.0° | 120.0° |