TNA
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O8 | C12 | doub | 1.21Å | 1.25Å | |
C10 | C12 | sing | 1.51Å | 1.52Å | |
C12 | O7 | sing | 1.34Å | 1.25Å | |
O7 | HO7 | sing | 0.97Å | 0.95Å | |
C9 | C10 | sing | 1.53Å | 1.54Å | |
C10 | H10 | sing | 1.09Å | 1.10Å | |
C10 | H10A | sing | 1.09Å | 1.10Å | |
C8 | C9 | sing | 1.53Å | 1.54Å | |
C9 | H9 | sing | 1.09Å | 1.10Å | |
C9 | H9A | sing | 1.09Å | 1.10Å | |
N3 | C8 | sing | 1.47Å | 1.47Å | |
C8 | C11 | sing | 1.51Å | 1.50Å | |
C8 | H8 | sing | 1.09Å | 1.10Å | |
C11 | O6 | doub | 1.21Å | 1.24Å | |
C11 | O5 | sing | 1.34Å | 1.25Å | |
O5 | HO5 | sing | 0.97Å | 0.95Å | |
C7 | N3 | sing | 1.47Å | 1.47Å | |
N3 | HN3 | sing | 1.01Å | 1.00Å | |
C6 | C7 | sing | 1.53Å | 1.53Å | |
C7 | H7 | sing | 1.09Å | 1.10Å | |
C7 | H7A | sing | 1.09Å | 1.10Å | |
C4 | C6 | sing | 1.53Å | 1.53Å | |
C6 | H6 | sing | 1.09Å | 1.10Å | |
C6 | H6A | sing | 1.09Å | 1.10Å | |
N2 | C4 | sing | 1.47Å | 1.46Å | |
C4 | C5 | sing | 1.51Å | 1.51Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
O4 | C5 | doub | 1.21Å | 1.26Å | |
C5 | O3 | sing | 1.34Å | 1.26Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
C3 | N2 | sing | 1.47Å | 1.46Å | |
N2 | HN2 | sing | 1.01Å | 1.00Å | |
C2 | C3 | sing | 1.53Å | 1.54Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
C3 | H3A | sing | 1.09Å | 1.10Å | |
C1 | C2 | sing | 1.53Å | 1.54Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
C2 | H2A | sing | 1.09Å | 1.10Å | |
N1 | C1 | sing | 1.47Å | 1.47Å | |
C | C1 | sing | 1.51Å | 1.51Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
N1 | HN1 | sing | 1.01Å | 1.00Å | |
N1 | HN1A | sing | 1.01Å | 1.00Å | |
O1 | C | doub | 1.21Å | 1.24Å | |
C | O2 | sing | 1.34Å | 1.25Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O8 | C12 | C10 | 121.3° | 120.0° |
O8 | C12 | O7 | 121.0° | 120.0° |
C10 | C12 | O7 | 117.7° | 120.0° |
C12 | C10 | C9 | 116.5° | 109.5° |
C12 | C10 | H10 | 107.2° | 109.4° |
C12 | C10 | H10A | 105.6° | 109.5° |
C12 | O7 | HO7 | 109.5° | 117.0° |
C9 | C10 | H10 | 107.2° | 109.5° |
C9 | C10 | H10A | 105.5° | 109.5° |
C10 | C9 | C8 | 116.6° | 109.5° |
C10 | C9 | H9 | 107.2° | 109.5° |
C10 | C9 | H9A | 105.5° | 109.5° |
H10 | C10 | H10A | 115.2° | 109.5° |
C8 | C9 | H9 | 107.2° | 109.4° |
C8 | C9 | H9A | 105.6° | 109.5° |
C9 | C8 | N3 | 111.1° | 109.5° |
C9 | C8 | C11 | 113.8° | 109.5° |
C9 | C8 | H8 | 105.7° | 109.4° |
H9 | C9 | H9A | 115.2° | 109.5° |
N3 | C8 | C11 | 110.7° | 109.5° |
N3 | C8 | H8 | 109.1° | 109.4° |
C8 | N3 | C7 | 121.7° | 111.0° |
C8 | N3 | HN3 | 105.6° | 111.0° |
C11 | C8 | H8 | 106.1° | 109.5° |
C8 | C11 | O6 | 116.7° | 120.0° |
C8 | C11 | O5 | 120.9° | 120.0° |
O6 | C11 | O5 | 122.3° | 120.0° |
C11 | O5 | HO5 | 109.5° | 117.0° |
C7 | N3 | HN3 | 105.6° | 111.0° |
N3 | C7 | C6 | 111.7° | 109.5° |
N3 | C7 | H7 | 108.7° | 109.5° |
N3 | C7 | H7A | 108.2° | 109.4° |
C6 | C7 | H7 | 108.7° | 109.5° |
C6 | C7 | H7A | 108.2° | 109.5° |
C7 | C6 | C4 | 114.7° | 109.5° |
C7 | C6 | H6 | 107.7° | 109.5° |
C7 | C6 | H6A | 106.6° | 109.5° |
H7 | C7 | H7A | 111.2° | 109.4° |
C4 | C6 | H6 | 107.8° | 109.4° |
C4 | C6 | H6A | 106.6° | 109.5° |
C6 | C4 | N2 | 111.8° | 109.5° |
C6 | C4 | C5 | 106.1° | 109.5° |
C6 | C4 | H4 | 111.4° | 109.5° |
H6 | C6 | H6A | 113.6° | 109.5° |
N2 | C4 | C5 | 112.9° | 109.5° |
N2 | C4 | H4 | 104.5° | 109.5° |
C4 | N2 | C3 | 122.6° | 111.0° |
C4 | N2 | HN2 | 105.3° | 111.0° |
C5 | C4 | H4 | 110.3° | 109.4° |
C4 | C5 | O4 | 117.7° | 120.0° |
C4 | C5 | O3 | 117.2° | 120.0° |
O4 | C5 | O3 | 125.1° | 120.0° |
C5 | O3 | HO3 | 109.5° | 117.0° |
C3 | N2 | HN2 | 105.3° | 111.0° |
N2 | C3 | C2 | 112.4° | 109.5° |
N2 | C3 | H3 | 108.5° | 109.5° |
N2 | C3 | H3A | 107.9° | 109.5° |
C2 | C3 | H3 | 108.5° | 109.5° |
C2 | C3 | H3A | 107.8° | 109.4° |
C3 | C2 | C1 | 108.3° | 109.5° |
C3 | C2 | H2 | 109.9° | 109.5° |
C3 | C2 | H2A | 110.1° | 109.4° |
H3 | C3 | H3A | 111.8° | 109.4° |
C1 | C2 | H2 | 109.8° | 109.5° |
C1 | C2 | H2A | 110.1° | 109.5° |
C2 | C1 | N1 | 108.5° | 109.5° |
C2 | C1 | C | 110.0° | 109.5° |
C2 | C1 | H1 | 111.0° | 109.5° |
H2 | C2 | H2A | 108.6° | 109.4° |
N1 | C1 | C | 112.9° | 109.5° |
N1 | C1 | H1 | 108.0° | 109.4° |
C1 | N1 | HN1 | 109.5° | 111.0° |
C1 | N1 | HN1A | 109.4° | 111.0° |
C | C1 | H1 | 106.4° | 109.5° |
C1 | C | O1 | 119.0° | 120.0° |
C1 | C | O2 | 118.2° | 120.0° |
HN1 | N1 | HN1A | 109.5° | 111.0° |
O1 | C | O2 | 122.7° | 120.0° |
C | O2 | HO2 | 109.5° | 117.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O8 | C12 | C10 | O7 | 178.6° | 179.7° |
O8 | C12 | O7 | HO7 | 0.0° | 0.0° |
O8 | C12 | C10 | C9 | 4.7° | 0.0° |
O8 | C12 | C10 | H10 | 115.3° | 120.0° |
O8 | C12 | C10 | H10A | 121.4° | 120.0° |
C10 | C12 | O7 | HO7 | 178.6° | 179.7° |
C12 | C10 | C9 | H10 | 120.0° | 120.0° |
C12 | C10 | C9 | H10A | 116.8° | 120.0° |
C12 | C10 | H10 | H10A | 117.1° | 120.0° |
C12 | C10 | C9 | C8 | 61.7° | 180.0° |
C12 | C10 | C9 | H9 | 58.3° | 60.1° |
C12 | C10 | C9 | H9A | 178.4° | 60.0° |
O7 | C12 | C10 | C9 | 174.0° | 179.7° |
O7 | C12 | C10 | H10 | 66.0° | 60.3° |
O7 | C12 | C10 | H10A | 57.2° | 59.7° |
C9 | C10 | H10 | H10A | 117.1° | 120.0° |
C10 | C9 | C8 | H9 | 120.0° | 120.0° |
C10 | C9 | C8 | H9A | 116.7° | 120.0° |
C10 | C9 | H9 | H9A | 117.1° | 120.0° |
C10 | C9 | C8 | N3 | 82.7° | 65.0° |
C10 | C9 | C8 | C11 | 43.0° | 175.0° |
C10 | C9 | C8 | H8 | 159.0° | 54.9° |
H10 | C10 | C9 | C8 | 178.3° | 60.0° |
H10 | C10 | C9 | H9 | 61.7° | 180.0° |
H10 | C10 | C9 | H9A | 61.6° | 60.0° |
H10A | C10 | C9 | C8 | 55.1° | 60.0° |
H10A | C10 | C9 | H9 | 175.1° | 60.0° |
H10A | C10 | C9 | H9A | 61.7° | 180.0° |
C8 | C9 | H9 | H9A | 117.1° | 120.0° |
C9 | C8 | N3 | C11 | 127.5° | 120.0° |
C9 | C8 | N3 | H8 | 116.1° | 119.9° |
C9 | C8 | C11 | H8 | 115.8° | 120.0° |
C9 | C8 | C11 | O6 | 139.1° | 120.0° |
C9 | C8 | C11 | O5 | 41.0° | 60.0° |
C9 | C8 | N3 | C7 | 84.1° | 155.0° |
C9 | C8 | N3 | HN3 | 155.9° | 81.0° |
H9 | C9 | C8 | N3 | 37.2° | 175.0° |
H9 | C9 | C8 | C11 | 163.0° | 55.0° |
H9 | C9 | C8 | H8 | 81.0° | 65.1° |
H9A | C9 | C8 | N3 | 160.5° | 55.0° |
H9A | C9 | C8 | C11 | 73.7° | 65.0° |
H9A | C9 | C8 | H8 | 42.3° | 175.0° |
N3 | C8 | C11 | H8 | 118.3° | 120.0° |
N3 | C8 | C11 | O6 | 13.1° | 0.0° |
N3 | C8 | C11 | O5 | 167.0° | 180.0° |
C8 | N3 | C7 | HN3 | 120.0° | 124.0° |
C8 | N3 | C7 | C6 | 140.1° | 180.0° |
C8 | N3 | C7 | H7 | 20.1° | 60.0° |
C8 | N3 | C7 | H7A | 100.8° | 60.0° |
C8 | C11 | O6 | O5 | 179.9° | 180.0° |
C8 | C11 | O5 | HO5 | 179.9° | 180.0° |
C11 | C8 | N3 | C7 | 148.5° | 85.0° |
C11 | C8 | N3 | HN3 | 28.5° | 39.0° |
H8 | C8 | C11 | O6 | 105.2° | 120.0° |
H8 | C8 | C11 | O5 | 74.8° | 60.0° |
H8 | C8 | N3 | C7 | 32.1° | 35.0° |
H8 | C8 | N3 | HN3 | 87.9° | 159.0° |
O6 | C11 | O5 | HO5 | 0.0° | 0.0° |
N3 | C7 | C6 | H7 | 120.0° | 120.0° |
N3 | C7 | C6 | H7A | 119.1° | 120.0° |
N3 | C7 | H7 | H7A | 119.1° | 119.9° |
N3 | C7 | C6 | C4 | 176.2° | 180.0° |
N3 | C7 | C6 | H6 | 56.2° | 60.0° |
N3 | C7 | C6 | H6A | 66.1° | 60.0° |
HN3 | N3 | C7 | C6 | 99.9° | 56.0° |
HN3 | N3 | C7 | H7 | 140.1° | 176.0° |
HN3 | N3 | C7 | H7A | 19.2° | 64.0° |
C6 | C7 | H7 | H7A | 119.1° | 120.0° |
C7 | C6 | C4 | H6 | 120.0° | 120.0° |
C7 | C6 | C4 | H6A | 117.7° | 120.0° |
C7 | C6 | H6 | H6A | 117.9° | 120.1° |
C7 | C6 | C4 | N2 | 126.1° | 65.0° |
C7 | C6 | C4 | C5 | 110.4° | 175.0° |
C7 | C6 | C4 | H4 | 9.6° | 55.0° |
H7 | C7 | C6 | C4 | 63.8° | 60.0° |
H7 | C7 | C6 | H6 | 176.2° | 180.0° |
H7 | C7 | C6 | H6A | 53.9° | 60.0° |
H7A | C7 | C6 | C4 | 57.1° | 60.0° |
H7A | C7 | C6 | H6 | 62.9° | 60.0° |
H7A | C7 | C6 | H6A | 174.8° | 180.0° |
C4 | C6 | H6 | H6A | 117.9° | 119.9° |
C6 | C4 | N2 | C5 | 119.5° | 120.0° |
C6 | C4 | N2 | H4 | 120.6° | 120.0° |
C6 | C4 | C5 | H4 | 120.8° | 120.0° |
C6 | C4 | C5 | O4 | 89.0° | 120.0° |
C6 | C4 | C5 | O3 | 91.8° | 60.0° |
C6 | C4 | N2 | C3 | 168.3° | 155.0° |
C6 | C4 | N2 | HN2 | 48.2° | 81.1° |
H6 | C6 | C4 | N2 | 113.9° | 175.0° |
H6 | C6 | C4 | C5 | 9.5° | 55.0° |
H6 | C6 | C4 | H4 | 129.6° | 65.0° |
H6A | C6 | C4 | N2 | 8.4° | 55.0° |
H6A | C6 | C4 | C5 | 131.9° | 65.0° |
H6A | C6 | C4 | H4 | 108.1° | 175.0° |
N2 | C4 | C5 | H4 | 116.4° | 120.0° |
N2 | C4 | C5 | O4 | 148.3° | 0.0° |
N2 | C4 | C5 | O3 | 31.0° | 180.0° |
C4 | N2 | C3 | HN2 | 120.0° | 123.9° |
C4 | N2 | C3 | C2 | 41.8° | 180.0° |
C4 | N2 | C3 | H3 | 78.2° | 60.0° |
C4 | N2 | C3 | H3A | 160.5° | 60.0° |
C4 | C5 | O4 | O3 | 179.2° | 180.0° |
C4 | C5 | O3 | HO3 | 179.2° | 180.0° |
C5 | C4 | N2 | C3 | 48.7° | 85.0° |
C5 | C4 | N2 | HN2 | 71.3° | 39.0° |
H4 | C4 | C5 | O4 | 31.9° | 120.0° |
H4 | C4 | C5 | O3 | 147.4° | 60.0° |
H4 | C4 | N2 | C3 | 71.1° | 35.0° |
H4 | C4 | N2 | HN2 | 168.9° | 158.9° |
O4 | C5 | O3 | HO3 | 0.0° | 0.0° |
N2 | C3 | C2 | H3 | 120.0° | 120.0° |
N2 | C3 | C2 | H3A | 118.8° | 120.0° |
N2 | C3 | H3 | H3A | 118.8° | 120.0° |
N2 | C3 | C2 | C1 | 73.1° | 180.0° |
N2 | C3 | C2 | H2 | 46.9° | 60.0° |
N2 | C3 | C2 | H2A | 166.5° | 60.0° |
HN2 | N2 | C3 | C2 | 161.8° | 56.1° |
HN2 | N2 | C3 | H3 | 41.8° | 176.1° |
HN2 | N2 | C3 | H3A | 79.5° | 63.9° |
C2 | C3 | H3 | H3A | 118.8° | 119.9° |
C3 | C2 | C1 | H2 | 120.0° | 120.0° |
C3 | C2 | C1 | H2A | 120.4° | 120.0° |
C3 | C2 | H2 | H2A | 120.5° | 119.9° |
C3 | C2 | C1 | N1 | 83.3° | 65.0° |
C3 | C2 | C1 | C | 152.7° | 175.0° |
C3 | C2 | C1 | H1 | 35.2° | 55.0° |
H3 | C3 | C2 | C1 | 166.9° | 60.0° |
H3 | C3 | C2 | H2 | 73.1° | NaN° |
H3 | C3 | C2 | H2A | 46.5° | 60.1° |
H3A | C3 | C2 | C1 | 45.7° | 60.0° |
H3A | C3 | C2 | H2 | 165.7° | 60.1° |
H3A | C3 | C2 | H2A | 74.8° | 180.0° |
C1 | C2 | H2 | H2A | 120.5° | 120.0° |
C2 | C1 | N1 | C | 122.3° | 120.0° |
C2 | C1 | N1 | H1 | 120.4° | 120.0° |
C2 | C1 | C | H1 | 120.3° | 120.0° |
C2 | C1 | N1 | HN1 | 88.2° | 176.1° |
C2 | C1 | N1 | HN1A | 151.8° | 60.0° |
C2 | C1 | C | O1 | 130.2° | 100.0° |
C2 | C1 | C | O2 | 51.3° | 80.0° |
H2 | C2 | C1 | N1 | 156.6° | 175.0° |
H2 | C2 | C1 | C | 32.6° | 55.0° |
H2 | C2 | C1 | H1 | 84.9° | 65.0° |
H2A | C2 | C1 | N1 | 37.1° | 55.0° |
H2A | C2 | C1 | C | 86.9° | 65.0° |
H2A | C2 | C1 | H1 | 155.6° | 175.0° |
N1 | C1 | C | H1 | 118.3° | 120.0° |
C1 | N1 | HN1 | HN1A | 120.0° | 123.9° |
N1 | C1 | C | O1 | 8.8° | 20.0° |
N1 | C1 | C | O2 | 172.8° | 160.0° |
C | C1 | N1 | HN1 | 149.5° | 63.9° |
C | C1 | N1 | HN1A | 29.5° | 60.0° |
C1 | C | O1 | O2 | 178.4° | 180.0° |
C1 | C | O2 | HO2 | 178.4° | 180.0° |
H1 | C1 | N1 | HN1 | 32.1° | 56.1° |
H1 | C1 | N1 | HN1A | 87.8° | 180.0° |
H1 | C1 | C | O1 | 109.5° | 140.0° |
H1 | C1 | C | O2 | 69.0° | 40.0° |
O1 | C | O2 | HO2 | 0.0° | 0.0° |