ANA
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C2 | sing | 1.51Å | 1.54Å | |
C1 | O1A | doub | 1.21Å | 1.22Å | |
C1 | O1B | sing | 1.34Å | 1.22Å | |
C2 | C3 | sing | 1.53Å | 1.53Å | |
C2 | O2 | sing | 1.43Å | 1.43Å | |
C2 | O6 | sing | 1.43Å | 1.44Å | |
C3 | C4 | sing | 1.53Å | 1.52Å | |
C3 | H32 | sing | 1.09Å | 1.10Å | |
C3 | H31 | sing | 1.09Å | 1.10Å | |
C4 | C5 | sing | 1.53Å | 1.53Å | |
C4 | O4 | sing | 1.45Å | 1.46Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
C5 | C6 | sing | 1.53Å | 1.52Å | |
C5 | N5 | sing | 1.46Å | 1.45Å | |
C5 | H5 | sing | 1.09Å | 1.11Å | |
C6 | C7 | sing | 1.53Å | 1.53Å | |
C6 | O6 | sing | 1.43Å | 1.43Å | |
C6 | H6 | sing | 1.09Å | 1.10Å | |
C7 | C8 | sing | 1.53Å | 1.54Å | |
C7 | O7 | sing | 1.43Å | 1.40Å | |
C7 | H7 | sing | 1.09Å | 1.10Å | |
C8 | C9 | sing | 1.53Å | 1.53Å | |
C8 | O8 | sing | 1.43Å | 1.42Å | |
C8 | H8 | sing | 1.09Å | 1.11Å | |
C9 | O9 | sing | 1.43Å | 1.40Å | |
C9 | H92 | sing | 1.09Å | 1.10Å | |
C9 | H91 | sing | 1.09Å | 1.10Å | |
C10 | C11 | sing | 1.51Å | 1.53Å | |
C10 | N5 | sing | 1.35Å | 1.33Å | |
C10 | O10 | doub | 1.21Å | 1.23Å | |
C11 | H111 | sing | 1.09Å | 1.10Å | |
C11 | H113 | sing | 1.09Å | 1.10Å | |
C11 | H112 | sing | 1.09Å | 1.10Å | |
C12 | O2 | sing | 1.43Å | 1.43Å | |
C12 | H121 | sing | 1.09Å | 1.11Å | |
C12 | H122 | sing | 1.09Å | 1.12Å | |
C12 | H123 | sing | 1.09Å | 1.11Å | |
CA4 | CM4 | sing | 1.51Å | 1.52Å | |
CA4 | O4 | sing | 1.34Å | 1.43Å | |
CA4 | OA4 | doub | 1.21Å | 1.23Å | |
CM4 | HM41 | sing | 1.09Å | 1.11Å | |
CM4 | HM42 | sing | 1.09Å | 1.11Å | |
CM4 | HM43 | sing | 1.09Å | 1.12Å | |
N5 | HN5 | sing | 0.97Å | 0.98Å | |
O1B | HO1B | sing | 0.97Å | 0.95Å | |
O7 | HO7 | sing | 0.97Å | 0.97Å | |
O8 | HO8 | sing | 0.97Å | 0.98Å | |
O9 | HO9 | sing | 0.97Å | 0.96Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | C1 | O1A | 120.6° | 120.0° |
C2 | C1 | O1B | 120.1° | 120.0° |
C1 | C2 | C3 | 110.5° | 109.5° |
C1 | C2 | O2 | 107.8° | 109.4° |
C1 | C2 | O6 | 112.4° | 109.4° |
O1A | C1 | O1B | 119.3° | 120.0° |
C1 | O1B | HO1B | 120.1° | 120.0° |
C3 | C2 | O2 | 108.1° | 109.4° |
C3 | C2 | O6 | 108.7° | 109.7° |
C2 | C3 | C4 | 110.8° | 109.0° |
C2 | C3 | H32 | 108.7° | 109.6° |
C2 | C3 | H31 | 108.8° | 109.5° |
O2 | C2 | O6 | 109.2° | 109.4° |
C2 | O2 | C12 | 115.5° | 106.8° |
C2 | O6 | C6 | 118.0° | 107.6° |
C4 | C3 | H32 | 111.5° | 109.6° |
C4 | C3 | H31 | 109.3° | 109.6° |
C3 | C4 | C5 | 108.1° | 108.6° |
C3 | C4 | O4 | 115.5° | 109.6° |
C3 | C4 | H4 | 109.2° | 109.6° |
H32 | C3 | H31 | 107.6° | 109.6° |
C5 | C4 | O4 | 109.6° | 109.8° |
C5 | C4 | H4 | 108.5° | 109.6° |
C4 | C5 | C6 | 109.4° | 109.0° |
C4 | C5 | N5 | 106.0° | 109.5° |
C4 | C5 | H5 | 108.7° | 109.5° |
O4 | C4 | H4 | 105.7° | 109.6° |
C4 | O4 | CA4 | 116.2° | 120.1° |
C6 | C5 | N5 | 110.3° | 109.6° |
C6 | C5 | H5 | 110.2° | 109.6° |
C5 | C6 | C7 | 116.0° | 109.4° |
C5 | C6 | O6 | 109.1° | 109.8° |
C5 | C6 | H6 | 107.5° | 109.5° |
N5 | C5 | H5 | 112.1° | 109.5° |
C5 | N5 | C10 | 123.1° | 120.0° |
C5 | N5 | HN5 | 117.1° | 120.0° |
C7 | C6 | O6 | 107.5° | 109.3° |
C7 | C6 | H6 | 104.9° | 109.4° |
C6 | C7 | C8 | 110.2° | 109.5° |
C6 | C7 | O7 | 110.8° | 109.5° |
C6 | C7 | H7 | 109.0° | 109.4° |
O6 | C6 | H6 | 111.8° | 109.5° |
C8 | C7 | O7 | 110.1° | 109.5° |
C8 | C7 | H7 | 109.0° | 109.5° |
C7 | C8 | C9 | 109.7° | 109.5° |
C7 | C8 | O8 | 111.2° | 109.5° |
C7 | C8 | H8 | 109.4° | 109.5° |
O7 | C7 | H7 | 107.7° | 109.4° |
C7 | O7 | HO7 | 107.9° | 106.8° |
C9 | C8 | O8 | 110.0° | 109.4° |
C9 | C8 | H8 | 107.9° | 109.5° |
C8 | C9 | O9 | 110.2° | 109.5° |
C8 | C9 | H92 | 110.5° | 109.4° |
C8 | C9 | H91 | 109.7° | 109.5° |
O8 | C8 | H8 | 108.7° | 109.5° |
C8 | O8 | HO8 | 106.6° | 106.8° |
O9 | C9 | H92 | 109.0° | 109.4° |
O9 | C9 | H91 | 110.6° | 109.5° |
C9 | O9 | HO9 | 105.0° | 106.8° |
H92 | C9 | H91 | 106.8° | 109.5° |
C11 | C10 | N5 | 117.6° | 120.0° |
C11 | C10 | O10 | 122.5° | 120.0° |
C10 | C11 | H111 | 111.2° | 109.4° |
C10 | C11 | H113 | 109.3° | 109.5° |
C10 | C11 | H112 | 110.6° | 109.5° |
N5 | C10 | O10 | 119.8° | 120.0° |
C10 | N5 | HN5 | 119.7° | 120.0° |
H111 | C11 | H113 | 109.5° | 109.4° |
H111 | C11 | H112 | 108.0° | 109.5° |
H113 | C11 | H112 | 108.1° | 109.5° |
O2 | C12 | H121 | 115.5° | 109.5° |
O2 | C12 | H122 | 110.0° | 109.5° |
O2 | C12 | H123 | 110.0° | 109.4° |
H121 | C12 | H122 | 110.0° | 109.5° |
H121 | C12 | H123 | 110.1° | 109.5° |
H122 | C12 | H123 | 100.2° | 109.5° |
CM4 | CA4 | O4 | 119.4° | 120.1° |
CM4 | CA4 | OA4 | 120.0° | 120.0° |
CA4 | CM4 | HM41 | 119.4° | 109.6° |
CA4 | CM4 | HM42 | 108.6° | 109.4° |
CA4 | CM4 | HM43 | 108.6° | 109.5° |
O4 | CA4 | OA4 | 120.3° | 119.9° |
HM41 | CM4 | HM42 | 108.7° | 109.4° |
HM41 | CM4 | HM43 | 108.7° | 109.5° |
HM42 | CM4 | HM43 | 101.3° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C1 | O1A | O1B | 179.5° | 179.9° |
C1 | C2 | C3 | O2 | 117.7° | 119.9° |
C1 | C2 | C3 | O6 | 123.8° | 120.1° |
C1 | C2 | O2 | O6 | 122.4° | 119.8° |
C1 | C2 | C3 | C4 | 70.3° | 58.8° |
C1 | C2 | C3 | H32 | 52.6° | 178.7° |
C1 | C2 | C3 | H31 | 169.5° | 61.1° |
C1 | C2 | O6 | C6 | 68.3° | 52.5° |
C1 | C2 | O2 | C12 | 61.7° | 62.8° |
C2 | C1 | O1B | HO1B | 180.0° | 179.9° |
O1A | C1 | C2 | C3 | 54.0° | 143.4° |
O1A | C1 | C2 | O2 | 64.0° | 96.7° |
O1A | C1 | C2 | O6 | 175.7° | 23.1° |
O1A | C1 | O1B | HO1B | 0.5° | 0.0° |
O1B | C1 | C2 | C3 | 125.5° | 36.6° |
O1B | C1 | C2 | O2 | 116.5° | 83.3° |
O1B | C1 | C2 | O6 | 3.8° | 156.8° |
C3 | C2 | O2 | O6 | 118.1° | 120.3° |
C2 | C3 | C4 | H32 | 121.2° | 119.9° |
C2 | C3 | C4 | H31 | 119.9° | 119.8° |
C2 | C3 | H32 | H31 | 117.7° | 120.2° |
C2 | C3 | C4 | C5 | 58.5° | 53.7° |
C2 | C3 | C4 | O4 | 178.3° | 173.7° |
C2 | C3 | C4 | H4 | 59.4° | 66.0° |
C3 | C2 | O6 | C6 | 54.4° | 67.6° |
C3 | C2 | O2 | C12 | 178.8° | 177.3° |
O2 | C2 | C3 | C4 | 171.9° | 178.7° |
O2 | C2 | C3 | H32 | 65.2° | 61.5° |
O2 | C2 | C3 | H31 | 51.7° | 58.8° |
O2 | C2 | O6 | C6 | 172.1° | 172.3° |
C2 | O2 | C12 | H121 | 180.0° | 174.4° |
C2 | O2 | C12 | H122 | 54.7° | 54.4° |
C2 | O2 | C12 | H123 | 54.7° | 65.6° |
O6 | C2 | C3 | C4 | 53.5° | 61.3° |
O6 | C2 | C3 | H32 | 176.4° | 58.6° |
O6 | C2 | C3 | H31 | 66.7° | 178.8° |
C2 | O6 | C6 | C5 | 56.9° | 67.7° |
C2 | O6 | C6 | C7 | 176.5° | 172.3° |
C2 | O6 | C6 | H6 | 61.9° | 52.5° |
O6 | C2 | O2 | C12 | 60.6° | 57.0° |
C4 | C3 | H32 | H31 | 119.9° | 120.3° |
C3 | C4 | C5 | O4 | 126.7° | 119.8° |
C3 | C4 | C5 | H4 | 118.3° | 119.7° |
C3 | C4 | O4 | H4 | 120.9° | 120.3° |
C3 | C4 | C5 | C6 | 60.0° | 53.7° |
C3 | C4 | C5 | N5 | 178.9° | 173.7° |
C3 | C4 | C5 | H5 | 60.3° | 66.2° |
C3 | C4 | O4 | CA4 | 64.3° | 90.0° |
H32 | C3 | C4 | C5 | 179.7° | 66.2° |
H32 | C3 | C4 | O4 | 57.1° | 53.8° |
H32 | C3 | C4 | H4 | 61.8° | 174.1° |
H31 | C3 | C4 | C5 | 61.4° | 173.6° |
H31 | C3 | C4 | O4 | 61.8° | 66.4° |
H31 | C3 | C4 | H4 | 179.3° | 53.9° |
C5 | C4 | O4 | H4 | 116.7° | 120.5° |
C4 | C5 | C6 | N5 | 116.2° | 119.9° |
C4 | C5 | C6 | H5 | 119.4° | 119.9° |
C4 | C5 | N5 | H5 | 118.5° | 120.1° |
C4 | C5 | C6 | C7 | 178.9° | 178.7° |
C4 | C5 | C6 | O6 | 57.4° | 61.3° |
C4 | C5 | C6 | H6 | 64.1° | 58.8° |
C4 | C5 | N5 | C10 | 144.4° | 89.9° |
C5 | C4 | O4 | CA4 | 173.3° | 150.7° |
C4 | C5 | N5 | HN5 | 31.0° | 90.0° |
O4 | C4 | C5 | C6 | 173.3° | 173.6° |
O4 | C4 | C5 | N5 | 54.3° | 66.5° |
O4 | C4 | C5 | H5 | 66.4° | 53.6° |
C4 | O4 | CA4 | CM4 | 108.7° | 180.0° |
C4 | O4 | CA4 | OA4 | 65.6° | 0.0° |
H4 | C4 | C5 | C6 | 58.3° | 65.9° |
H4 | C4 | C5 | N5 | 60.6° | 54.0° |
H4 | C4 | C5 | H5 | 178.6° | 174.1° |
H4 | C4 | O4 | CA4 | 56.6° | 30.3° |
C6 | C5 | N5 | H5 | 123.2° | 120.3° |
C5 | C6 | C7 | O6 | 122.4° | 120.2° |
C5 | C6 | C7 | H6 | 118.5° | 119.9° |
C5 | C6 | O6 | H6 | 118.8° | 120.2° |
C5 | C6 | C7 | C8 | 177.0° | 179.9° |
C5 | C6 | C7 | O7 | 54.9° | 59.9° |
C5 | C6 | C7 | H7 | 63.4° | 60.0° |
C6 | C5 | N5 | C10 | 97.3° | 150.5° |
C6 | C5 | N5 | HN5 | 87.3° | 29.6° |
N5 | C5 | C6 | C7 | 64.8° | 58.8° |
N5 | C5 | C6 | O6 | 173.6° | 178.8° |
N5 | C5 | C6 | H6 | 52.1° | 61.1° |
C5 | N5 | C10 | C11 | 179.1° | 180.0° |
C5 | N5 | C10 | HN5 | 175.3° | 179.9° |
C5 | N5 | C10 | O10 | 2.2° | 0.0° |
H5 | C5 | C6 | C7 | 59.5° | 61.4° |
H5 | C5 | C6 | O6 | 62.0° | 58.5° |
H5 | C5 | C6 | H6 | 176.5° | 178.7° |
H5 | C5 | N5 | C10 | 25.9° | 30.2° |
H5 | C5 | N5 | HN5 | 149.5° | 149.9° |
C7 | C6 | O6 | H6 | 114.6° | 119.8° |
C6 | C7 | C8 | O7 | 122.5° | 120.0° |
C6 | C7 | C8 | H7 | 119.5° | 120.0° |
C6 | C7 | O7 | H7 | 119.1° | 120.0° |
C6 | C7 | C8 | C9 | 170.8° | 179.9° |
C6 | C7 | C8 | O8 | 49.0° | 60.0° |
C6 | C7 | C8 | H8 | 71.1° | 60.0° |
C6 | C7 | O7 | HO7 | 69.8° | 60.1° |
O6 | C6 | C7 | C8 | 54.6° | 59.7° |
O6 | C6 | C7 | O7 | 67.5° | 60.3° |
O6 | C6 | C7 | H7 | 174.2° | 179.7° |
H6 | C6 | C7 | C8 | 64.5° | 60.1° |
H6 | C6 | C7 | O7 | 173.3° | 179.9° |
H6 | C6 | C7 | H7 | 55.1° | 59.9° |
C8 | C7 | O7 | H7 | 118.8° | 120.0° |
C7 | C8 | C9 | O8 | 122.5° | 119.9° |
C7 | C8 | C9 | H8 | 119.1° | 120.1° |
C7 | C8 | O8 | H8 | 120.5° | 120.0° |
C7 | C8 | C9 | O9 | 168.2° | 180.0° |
C7 | C8 | C9 | H92 | 47.6° | 60.1° |
C7 | C8 | C9 | H91 | 69.9° | 59.9° |
C8 | C7 | O7 | HO7 | 168.0° | 60.0° |
C7 | C8 | O8 | HO8 | 74.2° | 60.0° |
O7 | C7 | C8 | C9 | 66.7° | 60.1° |
O7 | C7 | C8 | O8 | 171.5° | 180.0° |
O7 | C7 | C8 | H8 | 51.5° | 60.0° |
H7 | C7 | C8 | C9 | 51.3° | 59.9° |
H7 | C7 | C8 | O8 | 70.6° | 60.0° |
H7 | C7 | C8 | H8 | 169.4° | 180.0° |
H7 | C7 | O7 | HO7 | 49.2° | 180.0° |
C9 | C8 | O8 | H8 | 117.9° | 120.0° |
C8 | C9 | O9 | H92 | 121.5° | 119.9° |
C8 | C9 | O9 | H91 | 121.4° | 120.1° |
C8 | C9 | H92 | H91 | 119.3° | 120.0° |
C9 | C8 | O8 | HO8 | 164.1° | 60.0° |
C8 | C9 | O9 | HO9 | 137.9° | 179.9° |
O8 | C8 | C9 | O9 | 45.7° | 60.1° |
O8 | C8 | C9 | H92 | 74.9° | 180.0° |
O8 | C8 | C9 | H91 | 167.6° | 60.1° |
H8 | C8 | C9 | O9 | 72.7° | 59.9° |
H8 | C8 | C9 | H92 | 166.7° | 60.0° |
H8 | C8 | C9 | H91 | 49.2° | 180.0° |
H8 | C8 | O8 | HO8 | 46.2° | 180.0° |
O9 | C9 | H92 | H91 | 119.4° | 120.0° |
H92 | C9 | O9 | HO9 | 100.6° | 60.0° |
H91 | C9 | O9 | HO9 | 16.4° | 60.0° |
C11 | C10 | N5 | O10 | 176.9° | 180.0° |
C10 | C11 | H111 | H113 | 121.0° | 120.0° |
C10 | C11 | H111 | H112 | 121.5° | 120.0° |
C10 | C11 | H113 | H112 | 120.4° | 120.0° |
C11 | C10 | N5 | HN5 | 5.6° | 0.0° |
N5 | C10 | C11 | H111 | 9.8° | 180.0° |
N5 | C10 | C11 | H113 | 111.3° | 60.1° |
N5 | C10 | C11 | H112 | 129.8° | 60.0° |
O10 | C10 | C11 | H111 | 167.1° | 0.0° |
O10 | C10 | C11 | H113 | 71.8° | 120.0° |
O10 | C10 | C11 | H112 | 47.1° | 120.0° |
O10 | C10 | N5 | HN5 | 177.5° | 180.0° |
H111 | C11 | H113 | H112 | 117.5° | 120.0° |
O2 | C12 | H121 | H122 | 125.2° | 120.0° |
O2 | C12 | H121 | H123 | 125.3° | 120.0° |
O2 | C12 | H122 | H123 | 115.8° | 119.9° |
H121 | C12 | H122 | H123 | 115.9° | 120.0° |
CM4 | CA4 | O4 | OA4 | 174.3° | 180.0° |
CA4 | CM4 | HM41 | HM42 | 125.3° | 120.0° |
CA4 | CM4 | HM41 | HM43 | 125.2° | 120.1° |
CA4 | CM4 | HM42 | HM43 | 114.3° | 120.0° |
O4 | CA4 | CM4 | HM41 | 180.0° | 180.0° |
O4 | CA4 | CM4 | HM42 | 54.7° | 60.0° |
O4 | CA4 | CM4 | HM43 | 54.7° | 59.9° |
OA4 | CA4 | CM4 | HM41 | 5.6° | 0.0° |
OA4 | CA4 | CM4 | HM42 | 130.9° | 120.0° |
OA4 | CA4 | CM4 | HM43 | 119.6° | 120.1° |
HM41 | CM4 | HM42 | HM43 | 114.4° | 119.9° |