IC1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.34Å | 1.36Å | |
| N1 | C8 | sing | 1.39Å | 1.38Å | |
| N1 | HN1 | sing | 0.97Å | 1.02Å | |
| C2 | O2 | doub | 1.22Å | 1.23Å | |
| C2 | C3 | sing | 1.47Å | 1.35Å | |
| C3 | C9 | sing | 1.48Å | 1.44Å | |
| C3 | C10 | doub | 1.38Å | 1.36Å | |
| C4 | C5 | doub | 1.38Å | 1.37Å | Aromatic |
| C4 | C9 | sing | 1.39Å | 1.38Å | Aromatic |
| C4 | H41 | sing | 1.08Å | 1.10Å | |
| C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | H51 | sing | 1.08Å | 1.10Å | |
| C6 | C7 | doub | 1.38Å | 1.37Å | Aromatic |
| C6 | H61 | sing | 1.08Å | 1.10Å | |
| C7 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| C7 | H71 | sing | 1.08Å | 1.10Å | |
| C8 | C9 | doub | 1.40Å | 1.42Å | Aromatic |
| C10 | C1' | sing | 1.42Å | 1.51Å | |
| C10 | H101 | sing | 1.08Å | 1.10Å | |
| C1' | C2' | sing | 1.41Å | 1.43Å | Aromatic |
| C1' | C6' | doub | 1.41Å | 1.40Å | Aromatic |
| C2' | C3' | doub | 1.38Å | 1.41Å | Aromatic |
| C2' | O2' | sing | 1.36Å | 1.37Å | |
| C3' | C4' | sing | 1.39Å | 1.42Å | Aromatic |
| C3' | H3'1 | sing | 1.08Å | 1.10Å | |
| C4' | C5' | doub | 1.39Å | 1.40Å | Aromatic |
| C4' | O4' | sing | 1.36Å | 1.37Å | |
| C5' | C6' | sing | 1.38Å | 1.40Å | Aromatic |
| C5' | H5'1 | sing | 1.08Å | 1.10Å | |
| C6' | O6' | sing | 1.36Å | 1.37Å | |
| O2' | C11 | sing | 1.43Å | 1.40Å | |
| O4' | C12 | sing | 1.43Å | 1.41Å | |
| O6' | C13 | sing | 1.43Å | 1.40Å | |
| C11 | H111 | sing | 1.09Å | 1.11Å | |
| C11 | H112 | sing | 1.09Å | 1.12Å | |
| C11 | H113 | sing | 1.09Å | 1.12Å | |
| C12 | H121 | sing | 1.09Å | 1.12Å | |
| C12 | H122 | sing | 1.09Å | 1.12Å | |
| C12 | H123 | sing | 1.09Å | 1.12Å | |
| C13 | H131 | sing | 1.09Å | 1.12Å | |
| C13 | H132 | sing | 1.09Å | 1.12Å | |
| C13 | H133 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C8 | 107.7° | 111.4° |
| C2 | N1 | HN1 | 125.7° | 124.3° |
| N1 | C2 | O2 | 123.4° | 126.0° |
| N1 | C2 | C3 | 112.6° | 108.0° |
| C8 | N1 | HN1 | 126.6° | 124.4° |
| N1 | C8 | C7 | 130.3° | 131.7° |
| N1 | C8 | C9 | 107.5° | 109.2° |
| O2 | C2 | C3 | 124.1° | 126.0° |
| C2 | C3 | C9 | 105.3° | 105.0° |
| C2 | C3 | C10 | 118.4° | 127.5° |
| C9 | C3 | C10 | 136.2° | 127.5° |
| C3 | C9 | C4 | 134.1° | 133.3° |
| C3 | C9 | C8 | 106.9° | 106.4° |
| C3 | C10 | C1' | 124.1° | 120.0° |
| C3 | C10 | H101 | 112.4° | 120.0° |
| C5 | C4 | C9 | 118.5° | 119.7° |
| C5 | C4 | H41 | 120.4° | 120.2° |
| C4 | C5 | C6 | 122.0° | 120.1° |
| C4 | C5 | H51 | 118.5° | 119.9° |
| C9 | C4 | H41 | 121.1° | 120.1° |
| C4 | C9 | C8 | 119.0° | 120.4° |
| C6 | C5 | H51 | 119.4° | 119.9° |
| C5 | C6 | C7 | 121.5° | 120.6° |
| C5 | C6 | H61 | 119.8° | 119.7° |
| C7 | C6 | H61 | 118.7° | 119.7° |
| C6 | C7 | C8 | 116.8° | 120.1° |
| C6 | C7 | H71 | 120.8° | 119.9° |
| C8 | C7 | H71 | 122.3° | 119.9° |
| C7 | C8 | C9 | 122.2° | 119.1° |
| C1' | C10 | H101 | 123.5° | 120.0° |
| C10 | C1' | C2' | 119.7° | 120.2° |
| C10 | C1' | C6' | 121.2° | 120.2° |
| C2' | C1' | C6' | 119.0° | 119.5° |
| C1' | C2' | C3' | 121.4° | 119.8° |
| C1' | C2' | O2' | 123.1° | 120.1° |
| C1' | C6' | C5' | 119.0° | 119.8° |
| C1' | C6' | O6' | 120.5° | 120.1° |
| C3' | C2' | O2' | 115.5° | 120.1° |
| C2' | C3' | C4' | 118.9° | 120.2° |
| C2' | C3' | H3'1 | 120.3° | 119.9° |
| C2' | O2' | C11 | 121.2° | 106.8° |
| C4' | C3' | H3'1 | 120.9° | 119.9° |
| C3' | C4' | C5' | 118.8° | 120.4° |
| C3' | C4' | O4' | 120.8° | 119.8° |
| C5' | C4' | O4' | 120.3° | 119.8° |
| C4' | C5' | C6' | 122.9° | 120.3° |
| C4' | C5' | H5'1 | 118.5° | 119.9° |
| C4' | O4' | C12 | 121.6° | 106.8° |
| C6' | C5' | H5'1 | 118.5° | 119.9° |
| C5' | C6' | O6' | 120.5° | 120.1° |
| C6' | O6' | C13 | 121.2° | 106.8° |
| O2' | C11 | H111 | 121.2° | 109.5° |
| O2' | C11 | H112 | 108.0° | 109.4° |
| O2' | C11 | H113 | 108.0° | 109.5° |
| O4' | C12 | H121 | 121.6° | 109.5° |
| O4' | C12 | H122 | 107.9° | 109.5° |
| O4' | C12 | H123 | 107.9° | 109.5° |
| O6' | C13 | H131 | 121.2° | 109.5° |
| O6' | C13 | H132 | 108.0° | 109.5° |
| O6' | C13 | H133 | 108.0° | 109.5° |
| H111 | C11 | H112 | 108.0° | 109.5° |
| H111 | C11 | H113 | 108.0° | 109.5° |
| H112 | C11 | H113 | 101.8° | 109.5° |
| H121 | C12 | H122 | 107.8° | 109.4° |
| H121 | C12 | H123 | 107.9° | 109.5° |
| H122 | C12 | H123 | 101.9° | 109.4° |
| H131 | C13 | H132 | 107.9° | 109.4° |
| H131 | C13 | H133 | 108.0° | 109.5° |
| H132 | C13 | H133 | 101.9° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | C8 | HN1 | 179.9° | 179.9° |
| N1 | C2 | O2 | C3 | 179.7° | 180.0° |
| N1 | C2 | C3 | C9 | 0.5° | 0.3° |
| N1 | C2 | C3 | C10 | 178.7° | 180.0° |
| C2 | N1 | C8 | C7 | 179.8° | 179.9° |
| C2 | N1 | C8 | C9 | 0.0° | 0.3° |
| C8 | N1 | C2 | O2 | 179.9° | 180.0° |
| C8 | N1 | C2 | C3 | 0.4° | 0.0° |
| N1 | C8 | C9 | C3 | 0.3° | 0.5° |
| N1 | C8 | C9 | C4 | 179.6° | 179.6° |
| N1 | C8 | C7 | C6 | 180.0° | 180.0° |
| N1 | C8 | C7 | C9 | 179.7° | 179.6° |
| N1 | C8 | C7 | H71 | 0.1° | 0.1° |
| HN1 | N1 | C2 | O2 | 0.2° | 0.1° |
| HN1 | N1 | C2 | C3 | 179.5° | 179.9° |
| HN1 | N1 | C8 | C7 | 0.1° | 0.1° |
| HN1 | N1 | C8 | C9 | 179.9° | 179.8° |
| O2 | C2 | C3 | C9 | 179.8° | 179.7° |
| O2 | C2 | C3 | C10 | 1.0° | 0.0° |
| C2 | C3 | C9 | C10 | 179.0° | 179.7° |
| C2 | C3 | C9 | C4 | 179.4° | 179.4° |
| C2 | C3 | C9 | C8 | 0.5° | 0.4° |
| C2 | C3 | C10 | C1' | 177.8° | 180.0° |
| C2 | C3 | C10 | H101 | 2.2° | 0.0° |
| C3 | C9 | C4 | C5 | 179.6° | 179.5° |
| C3 | C9 | C4 | C8 | 179.9° | 178.8° |
| C3 | C9 | C4 | H41 | 0.4° | 0.8° |
| C3 | C9 | C8 | C7 | 179.5° | 179.8° |
| C9 | C3 | C10 | C1' | 1.1° | 0.3° |
| C9 | C3 | C10 | H101 | 178.9° | 179.7° |
| C10 | C3 | C9 | C4 | 1.6° | 0.9° |
| C10 | C3 | C9 | C8 | 178.5° | 179.8° |
| C3 | C10 | C1' | H101 | 180.0° | 180.0° |
| C3 | C10 | C1' | C2' | 125.1° | 120.0° |
| C3 | C10 | C1' | C6' | 58.7° | 60.0° |
| C5 | C4 | C9 | H41 | 180.0° | 179.7° |
| C4 | C5 | C6 | H51 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 0.1° | 0.0° |
| C4 | C5 | C6 | H61 | 179.9° | 180.0° |
| C5 | C4 | C9 | C8 | 0.5° | 0.7° |
| C9 | C4 | C5 | C6 | 0.2° | 0.3° |
| C9 | C4 | C5 | H51 | 179.7° | 179.7° |
| C4 | C9 | C8 | C7 | 0.6° | 0.7° |
| H41 | C4 | C5 | C6 | 179.8° | 180.0° |
| H41 | C4 | C5 | H51 | 0.2° | 0.0° |
| H41 | C4 | C9 | C8 | 179.5° | 179.6° |
| C5 | C6 | C7 | H61 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 0.0° | 0.0° |
| C5 | C6 | C7 | H71 | 180.0° | 179.9° |
| H51 | C5 | C6 | C7 | 180.0° | 180.0° |
| H51 | C5 | C6 | H61 | 0.0° | 0.0° |
| C6 | C7 | C8 | H71 | 179.9° | 179.9° |
| C6 | C7 | C8 | C9 | 0.3° | 0.4° |
| H61 | C6 | C7 | C8 | 180.0° | 180.0° |
| H61 | C6 | C7 | H71 | 0.0° | 0.1° |
| H71 | C7 | C8 | C9 | 179.7° | 179.7° |
| C10 | C1' | C2' | C6' | 176.3° | 180.0° |
| C10 | C1' | C2' | C3' | 177.4° | 180.0° |
| C10 | C1' | C2' | O2' | 2.9° | 0.0° |
| C10 | C1' | C6' | C5' | 177.4° | 179.7° |
| C10 | C1' | C6' | O6' | 3.0° | 0.0° |
| H101 | C10 | C1' | C2' | 54.9° | 60.0° |
| H101 | C10 | C1' | C6' | 121.3° | 120.0° |
| C1' | C2' | C3' | O2' | 179.8° | 180.0° |
| C1' | C2' | C3' | C4' | 0.3° | 0.0° |
| C1' | C2' | C3' | H3'1 | 179.8° | 180.0° |
| C2' | C1' | C6' | C5' | 1.1° | 0.3° |
| C2' | C1' | C6' | O6' | 179.3° | 180.0° |
| C1' | C2' | O2' | C11 | 92.3° | 179.9° |
| C6' | C1' | C2' | C3' | 1.1° | 0.0° |
| C6' | C1' | C2' | O2' | 179.2° | 180.0° |
| C1' | C6' | C5' | C4' | 0.5° | 0.6° |
| C1' | C6' | C5' | O6' | 179.6° | 179.7° |
| C1' | C6' | C5' | H5'1 | 179.5° | 180.0° |
| C1' | C6' | O6' | C13 | 164.9° | 180.0° |
| C2' | C3' | C4' | H3'1 | 180.0° | 180.0° |
| C2' | C3' | C4' | C5' | 0.4° | 0.3° |
| C2' | C3' | C4' | O4' | 180.0° | 179.9° |
| C3' | C2' | O2' | C11 | 87.9° | 0.1° |
| O2' | C2' | C3' | C4' | 179.9° | 180.0° |
| O2' | C2' | C3' | H3'1 | 0.0° | 0.0° |
| C2' | O2' | C11 | H111 | 180.0° | 180.0° |
| C2' | O2' | C11 | H112 | 54.7° | 60.0° |
| C2' | O2' | C11 | H113 | 54.7° | 60.0° |
| C3' | C4' | C5' | O4' | 179.6° | 179.7° |
| C3' | C4' | C5' | C6' | 0.3° | 0.6° |
| C3' | C4' | C5' | H5'1 | 179.7° | 180.0° |
| C3' | C4' | O4' | C12 | 169.9° | 180.0° |
| H3'1 | C3' | C4' | C5' | 179.6° | 179.7° |
| H3'1 | C3' | C4' | O4' | 0.1° | 0.0° |
| C4' | C5' | C6' | H5'1 | 180.0° | 179.5° |
| C4' | C5' | C6' | O6' | 179.9° | 179.7° |
| C5' | C4' | O4' | C12 | 9.8° | 0.3° |
| O4' | C4' | C5' | C6' | 179.9° | 179.8° |
| O4' | C4' | C5' | H5'1 | 0.1° | 0.3° |
| C4' | O4' | C12 | H121 | 180.0° | 180.0° |
| C4' | O4' | C12 | H122 | 54.7° | 60.0° |
| C4' | O4' | C12 | H123 | 54.7° | 60.0° |
| C5' | C6' | O6' | C13 | 14.7° | 0.3° |
| H5'1 | C5' | C6' | O6' | 0.1° | 0.2° |
| C6' | O6' | C13 | H131 | 179.9° | 180.0° |
| C6' | O6' | C13 | H132 | 54.8° | 60.0° |
| C6' | O6' | C13 | H133 | 54.7° | 60.0° |
| O2' | C11 | H111 | H112 | 125.3° | 120.0° |
| O2' | C11 | H111 | H113 | 125.3° | 120.1° |
| O2' | C11 | H112 | H113 | 113.6° | 120.0° |
| O4' | C12 | H121 | H122 | 125.3° | 120.0° |
| O4' | C12 | H121 | H123 | 125.3° | 120.0° |
| O4' | C12 | H122 | H123 | 113.5° | 120.0° |
| O6' | C13 | H131 | H132 | 125.2° | 120.0° |
| O6' | C13 | H131 | H133 | 125.3° | 120.0° |
| O6' | C13 | H132 | H133 | 113.7° | 120.0° |
| H111 | C11 | H112 | H113 | 113.6° | 120.0° |
| H121 | C12 | H122 | H123 | 113.4° | 120.0° |
| H131 | C13 | H132 | H133 | 113.6° | 120.0° |
