JI2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | C5 | doub | 1.38Å | 1.45Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.46Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.44Å | Aromatic |
| C3 | C2 | doub | 1.38Å | 1.45Å | Aromatic |
| C6 | N6 | sing | 1.39Å | 1.32Å | |
| C6 | N1 | doub | 1.32Å | 1.38Å | Aromatic |
| C4' | C5' | sing | 1.54Å | 1.56Å | |
| C4' | C7 | sing | 1.53Å | 1.59Å | |
| C4' | C3' | sing | 1.54Å | 1.54Å | |
| C2 | N1 | sing | 1.32Å | 1.39Å | Aromatic |
| C2 | C7 | sing | 1.51Å | 1.56Å | |
| C5' | N1' | sing | 1.49Å | 1.49Å | |
| C3' | N8 | sing | 1.47Å | 1.47Å | |
| C3' | C2' | sing | 1.54Å | 1.56Å | |
| N11 | C10 | sing | 1.47Å | 1.49Å | |
| N8 | C9 | sing | 1.47Å | 1.49Å | |
| N1' | C2' | sing | 1.49Å | 1.51Å | |
| C9 | C10 | sing | 1.53Å | 1.51Å | |
| N6 | HN61 | sing | 0.97Å | 1.00Å | |
| N6 | HN62 | sing | 0.97Å | 1.00Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| N1' | HN1' | sing | 1.01Å | 1.00Å | |
| C2' | H2'1 | sing | 1.09Å | 1.10Å | |
| C2' | H2'2 | sing | 1.09Å | 1.10Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C5' | H5'1 | sing | 1.09Å | 1.10Å | |
| C5' | H5'2 | sing | 1.09Å | 1.10Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å | |
| N8 | HN8 | sing | 1.01Å | 1.00Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| N11 | H111 | sing | 1.01Å | 1.00Å | |
| N11 | H112 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C4 | C3 | 121.0° | 118.5° |
| C4 | C5 | C6 | 118.5° | 119.1° |
| C4 | C5 | H5 | 120.7° | 120.4° |
| C5 | C4 | H4 | 119.5° | 120.8° |
| C4 | C3 | C2 | 117.2° | 119.3° |
| C3 | C4 | H4 | 119.5° | 120.8° |
| C4 | C3 | H3 | 121.4° | 120.4° |
| C5 | C6 | N6 | 120.7° | 119.7° |
| C5 | C6 | N1 | 119.3° | 120.6° |
| C6 | C5 | H5 | 120.8° | 120.5° |
| C3 | C2 | N1 | 120.0° | 120.8° |
| C3 | C2 | C7 | 121.3° | 119.6° |
| C2 | C3 | H3 | 121.4° | 120.3° |
| N6 | C6 | N1 | 120.0° | 119.7° |
| C6 | N6 | HN61 | 109.5° | 120.0° |
| C6 | N6 | HN62 | 109.5° | 120.0° |
| C6 | N1 | C2 | 123.9° | 121.6° |
| C5' | C4' | C7 | 111.8° | 110.3° |
| C5' | C4' | C3' | 99.6° | 105.1° |
| C4' | C5' | N1' | 105.1° | 104.6° |
| C5' | C4' | H4' | 115.1° | 110.4° |
| C4' | C5' | H5'1 | 110.9° | 110.4° |
| C4' | C5' | H5'2 | 111.9° | 110.4° |
| C7 | C4' | C3' | 111.9° | 110.3° |
| C4' | C7 | C2 | 113.2° | 109.5° |
| C7 | C4' | H4' | 103.6° | 110.3° |
| C4' | C7 | H71 | 108.3° | 109.5° |
| C4' | C7 | H72 | 107.4° | 109.5° |
| C4' | C3' | N8 | 113.2° | 110.3° |
| C4' | C3' | C2' | 103.2° | 105.1° |
| C4' | C3' | H3' | 111.1° | 110.4° |
| C3' | C4' | H4' | 115.1° | 110.4° |
| N1 | C2 | C7 | 118.7° | 119.6° |
| C2 | C7 | H71 | 108.3° | 109.4° |
| C2 | C7 | H72 | 107.4° | 109.4° |
| C5' | N1' | C2' | 109.1° | 104.2° |
| C5' | N1' | HN1' | 109.6° | 111.0° |
| N1' | C5' | H5'1 | 111.0° | 110.5° |
| N1' | C5' | H5'2 | 111.9° | 110.4° |
| N8 | C3' | C2' | 109.2° | 110.3° |
| C3' | N8 | C9 | 117.1° | 111.0° |
| N8 | C3' | H3' | 105.3° | 110.3° |
| C3' | N8 | HN8 | 107.0° | 111.0° |
| C3' | C2' | N1' | 103.0° | 104.6° |
| C3' | C2' | H2'1 | 111.7° | 110.4° |
| C3' | C2' | H2'2 | 113.0° | 110.5° |
| C2' | C3' | H3' | 115.0° | 110.3° |
| N11 | C10 | C9 | 107.8° | 109.4° |
| N11 | C10 | H101 | 110.1° | 109.5° |
| N11 | C10 | H102 | 110.4° | 109.5° |
| C10 | N11 | H111 | 109.5° | 111.0° |
| C10 | N11 | H112 | 109.5° | 111.0° |
| N8 | C9 | C10 | 110.8° | 109.5° |
| C9 | N8 | HN8 | 107.0° | 111.0° |
| N8 | C9 | H91 | 109.0° | 109.4° |
| N8 | C9 | H92 | 108.8° | 109.5° |
| C2' | N1' | HN1' | 109.6° | 111.0° |
| N1' | C2' | H2'1 | 111.7° | 110.4° |
| N1' | C2' | H2'2 | 113.1° | 110.4° |
| C10 | C9 | H91 | 109.1° | 109.5° |
| C10 | C9 | H92 | 108.8° | 109.5° |
| C9 | C10 | H101 | 110.0° | 109.4° |
| C9 | C10 | H102 | 110.4° | 109.5° |
| HN61 | N6 | HN62 | 109.4° | 120.0° |
| H2'1 | C2' | H2'2 | 104.6° | 110.4° |
| H5'1 | C5' | H5'2 | 106.1° | 110.5° |
| H71 | C7 | H72 | 112.4° | 109.6° |
| H91 | C9 | H92 | 110.5° | 109.4° |
| H101 | C10 | H102 | 108.2° | 109.6° |
| H111 | N11 | H112 | 109.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C4 | C3 | H4 | 180.0° | 179.9° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C5 | C4 | C3 | C2 | 0.0° | 0.0° |
| C4 | C5 | C6 | N6 | 179.7° | 180.0° |
| C4 | C5 | C6 | N1 | 0.2° | 0.2° |
| C5 | C4 | C3 | H3 | 179.9° | 180.0° |
| C3 | C4 | C5 | C6 | 0.0° | 0.0° |
| C4 | C3 | C2 | H3 | 180.0° | 180.0° |
| C4 | C3 | C2 | N1 | 0.0° | 0.2° |
| C4 | C3 | C2 | C7 | 180.0° | 180.0° |
| C3 | C4 | C5 | H5 | 179.9° | 180.0° |
| C5 | C6 | N6 | N1 | 179.9° | 179.7° |
| C5 | C6 | N1 | C2 | 0.2° | 0.5° |
| C5 | C6 | N6 | HN61 | 63.3° | 179.7° |
| C5 | C6 | N6 | HN62 | 56.6° | 0.2° |
| C6 | C5 | C4 | H4 | 180.0° | 179.9° |
| C3 | C2 | N1 | C6 | 0.1° | 0.5° |
| C3 | C2 | C7 | C4' | 86.7° | 125.0° |
| C3 | C2 | N1 | C7 | 180.0° | 179.7° |
| C2 | C3 | C4 | H4 | 180.0° | 179.9° |
| C3 | C2 | C7 | H71 | 33.4° | 115.0° |
| C3 | C2 | C7 | H72 | 154.9° | 5.0° |
| N6 | C6 | N1 | C2 | 179.7° | 179.7° |
| C6 | N6 | HN61 | HN62 | 120.0° | 180.0° |
| N6 | C6 | C5 | H5 | 0.3° | 0.0° |
| C6 | N1 | C2 | C7 | 179.9° | 179.7° |
| N1 | C6 | N6 | HN61 | 116.7° | 0.0° |
| N1 | C6 | N6 | HN62 | 123.3° | 180.0° |
| N1 | C6 | C5 | H5 | 179.8° | 179.8° |
| C5' | C4' | C7 | C3' | 110.8° | 115.6° |
| C5' | C4' | C7 | H4' | 124.6° | 122.2° |
| C5' | C4' | C3' | H4' | 123.7° | 119.0° |
| C5' | C4' | C7 | C2 | 64.5° | 66.5° |
| C4' | C5' | N1' | H5'1 | 120.0° | 118.8° |
| C4' | C5' | N1' | H5'2 | 121.7° | 118.7° |
| C5' | C4' | C3' | N8 | 162.1° | 118.9° |
| C5' | C4' | C3' | C2' | 44.2° | 0.0° |
| C4' | C5' | N1' | C2' | 17.1° | 39.5° |
| C4' | C5' | N1' | HN1' | 137.0° | 80.1° |
| C5' | C4' | C3' | H3' | 79.6° | 118.9° |
| C4' | C5' | H5'1 | H5'2 | 121.8° | 122.4° |
| C5' | C4' | C7 | H71 | 175.4° | 53.5° |
| C5' | C4' | C7 | H72 | 53.8° | 173.6° |
| C7 | C4' | C3' | H4' | 117.9° | 122.2° |
| C4' | C7 | C2 | N1 | 93.3° | 54.8° |
| C4' | C7 | C2 | H71 | 120.0° | 120.0° |
| C4' | C7 | C2 | H72 | 118.4° | 120.0° |
| C7 | C4' | C5' | N1' | 80.6° | 142.7° |
| C7 | C4' | C3' | N8 | 43.7° | 0.0° |
| C7 | C4' | C3' | C2' | 74.2° | 118.9° |
| C7 | C4' | C3' | H3' | 162.0° | 122.2° |
| C7 | C4' | C5' | H5'1 | 159.3° | 23.9° |
| C7 | C4' | C5' | H5'2 | 41.0° | 98.5° |
| C4' | C7 | H71 | H72 | 118.5° | 120.1° |
| C3' | C4' | C7 | C2 | 175.4° | 177.9° |
| C3' | C4' | C5' | N1' | 37.7° | 23.9° |
| C4' | C3' | N8 | C2' | 114.3° | 115.6° |
| C4' | C3' | N8 | H3' | 121.6° | 122.2° |
| C4' | C3' | C2' | H3' | 121.2° | 119.0° |
| C4' | C3' | N8 | C9 | 155.9° | 157.9° |
| C4' | C3' | C2' | N1' | 34.7° | 23.9° |
| C4' | C3' | C2' | H2'1 | 85.3° | 142.6° |
| C4' | C3' | C2' | H2'2 | 157.1° | 95.0° |
| C3' | C4' | C5' | H5'1 | 82.3° | 94.9° |
| C3' | C4' | C5' | H5'2 | 159.4° | 142.6° |
| C3' | C4' | C7 | H71 | 64.6° | 62.1° |
| C3' | C4' | C7 | H72 | 57.0° | 58.0° |
| C4' | C3' | N8 | HN8 | 84.1° | 78.1° |
| N1 | C2 | C3 | H3 | 180.0° | 179.8° |
| N1 | C2 | C7 | H71 | 146.6° | 65.2° |
| N1 | C2 | C7 | H72 | 25.1° | 174.7° |
| C7 | C2 | C3 | H3 | 0.0° | 0.0° |
| C2 | C7 | C4' | H4' | 60.1° | 55.7° |
| C2 | C7 | H71 | H72 | 118.5° | 120.0° |
| C5' | N1' | C2' | C3' | 10.7° | 39.5° |
| C5' | N1' | C2' | HN1' | 120.0° | 119.6° |
| C5' | N1' | C2' | H2'1 | 109.3° | 158.3° |
| C5' | N1' | C2' | H2'2 | 133.1° | 79.4° |
| N1' | C5' | C4' | H4' | 161.4° | 95.1° |
| N1' | C5' | H5'1 | H5'2 | 121.8° | 122.5° |
| N8 | C3' | C2' | H3' | 118.1° | 122.1° |
| C3' | N8 | C9 | HN8 | 120.0° | 124.0° |
| N8 | C3' | C2' | N1' | 155.4° | 142.8° |
| C3' | N8 | C9 | C10 | 175.9° | 180.0° |
| N8 | C3' | C2' | H2'1 | 35.4° | 98.5° |
| N8 | C3' | C2' | H2'2 | 82.3° | 23.9° |
| N8 | C3' | C4' | H4' | 74.2° | 122.1° |
| C3' | N8 | C9 | H91 | 64.1° | 60.0° |
| C3' | N8 | C9 | H92 | 56.4° | 60.0° |
| C2' | C3' | N8 | C9 | 89.8° | 86.4° |
| C3' | C2' | N1' | H2'1 | 120.0° | 118.8° |
| C3' | C2' | N1' | H2'2 | 122.4° | 118.9° |
| C3' | C2' | N1' | HN1' | 109.3° | 80.0° |
| C3' | C2' | H2'1 | H2'2 | 122.6° | 122.5° |
| C2' | C3' | C4' | H4' | 167.9° | 119.0° |
| C2' | C3' | N8 | HN8 | 30.2° | 37.5° |
| N11 | C10 | C9 | N8 | 63.8° | 180.0° |
| N11 | C10 | C9 | H101 | 120.0° | 120.0° |
| N11 | C10 | C9 | H102 | 120.7° | 120.0° |
| N11 | C10 | C9 | H91 | 56.2° | 60.0° |
| N11 | C10 | C9 | H92 | 176.8° | 60.0° |
| N11 | C10 | H101 | H102 | 120.7° | 120.0° |
| C10 | N11 | H111 | H112 | 120.0° | 124.0° |
| N8 | C9 | C10 | H91 | 120.0° | 120.0° |
| N8 | C9 | C10 | H92 | 119.5° | 120.0° |
| C9 | N8 | C3' | H3' | 34.3° | 35.7° |
| N8 | C9 | H91 | H92 | 119.5° | 120.0° |
| N8 | C9 | C10 | H101 | 56.2° | 60.1° |
| N8 | C9 | C10 | H102 | 175.6° | 60.0° |
| N1' | C2' | H2'1 | H2'2 | 122.6° | 122.4° |
| N1' | C2' | C3' | H3' | 86.5° | 95.1° |
| C2' | N1' | C5' | H5'1 | 102.9° | 79.2° |
| C2' | N1' | C5' | H5'2 | 138.7° | 158.2° |
| C10 | C9 | N8 | HN8 | 55.9° | 56.1° |
| C10 | C9 | H91 | H92 | 119.5° | 120.0° |
| C9 | C10 | H101 | H102 | 120.7° | 120.0° |
| C9 | C10 | N11 | H111 | 164.1° | 180.0° |
| C9 | C10 | N11 | H112 | 44.2° | 56.0° |
| H5 | C5 | C4 | H4 | 0.0° | 0.1° |
| H4 | C4 | C3 | H3 | 0.1° | 0.0° |
| HN1' | N1' | C2' | H2'1 | 130.7° | 38.7° |
| HN1' | N1' | C2' | H2'2 | 13.1° | 161.0° |
| HN1' | N1' | C5' | H5'1 | 17.0° | 161.2° |
| HN1' | N1' | C5' | H5'2 | 101.3° | 38.7° |
| H2'1 | C2' | C3' | H3' | 153.5° | 23.6° |
| H2'2 | C2' | C3' | H3' | 35.9° | 146.0° |
| H3' | C3' | C4' | H4' | 44.1° | 0.0° |
| H3' | C3' | N8 | HN8 | 154.3° | 159.6° |
| H4' | C4' | C5' | H5'1 | 41.4° | 146.1° |
| H4' | C4' | C5' | H5'2 | 76.9° | 23.6° |
| H4' | C4' | C7 | H71 | 60.0° | 175.7° |
| H4' | C4' | C7 | H72 | 178.4° | 64.2° |
| HN8 | N8 | C9 | H91 | 175.9° | 176.1° |
| HN8 | N8 | C9 | H92 | 63.6° | 64.0° |
| H91 | C9 | C10 | H101 | 176.2° | 180.0° |
| H91 | C9 | C10 | H102 | 64.4° | 60.0° |
| H92 | C9 | C10 | H101 | 63.2° | 60.0° |
| H92 | C9 | C10 | H102 | 56.1° | 180.0° |
| H101 | C10 | N11 | H111 | 44.2° | 60.1° |
| H101 | C10 | N11 | H112 | 75.8° | 176.0° |
| H102 | C10 | N11 | H111 | 75.2° | 60.0° |
| H102 | C10 | N11 | H112 | 164.8° | 63.9° |
