JGC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7M | C7 | sing | 1.51Å | 1.51Å | |
| C7 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.41Å | Aromatic |
| C6 | C5A | sing | 1.38Å | 1.40Å | Aromatic |
| C8M | C8 | sing | 1.51Å | 1.51Å | |
| C8 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C5A | N5 | sing | 1.40Å | 1.40Å | |
| C5A | C9A | doub | 1.40Å | 1.40Å | Aromatic |
| N5 | C4A | sing | 1.47Å | 1.42Å | |
| O4 | C4 | doub | 1.21Å | 1.22Å | |
| C4A | C4 | sing | 1.50Å | 1.54Å | |
| C4A | C10 | sing | 1.50Å | 1.51Å | |
| C9 | C9A | sing | 1.39Å | 1.40Å | Aromatic |
| C9A | N10 | sing | 1.40Å | 1.42Å | |
| C4 | N3 | sing | 1.35Å | 1.37Å | |
| N10 | C10 | sing | 1.36Å | 1.37Å | |
| N10 | C1' | sing | 1.46Å | 1.49Å | |
| C10 | N1 | doub | 1.31Å | 1.32Å | |
| N3 | C2 | sing | 1.34Å | 1.42Å | |
| O2' | C2' | sing | 1.43Å | 1.44Å | |
| N1 | C2 | sing | 1.34Å | 1.38Å | |
| C2 | O2 | doub | 1.22Å | 1.23Å | |
| C1' | C2' | sing | 1.53Å | 1.54Å | |
| C2' | C3' | sing | 1.53Å | 1.54Å | |
| O3' | C3' | sing | 1.43Å | 1.43Å | |
| C3' | C4' | sing | 1.53Å | 1.53Å | |
| C4' | O4' | sing | 1.43Å | 1.43Å | |
| C4' | C5' | sing | 1.53Å | 1.54Å | |
| C5' | O5' | sing | 1.43Å | 1.41Å | |
| O5' | P | sing | 1.61Å | 1.73Å | |
| O1P | P | doub | 1.48Å | 1.53Å | |
| O2P | P | sing | 1.61Å | 1.54Å | |
| P | O3P | sing | 1.61Å | 1.53Å | |
| N3 | H2 | sing | 0.97Å | 1.00Å | |
| C4A | H3 | sing | 1.09Å | 1.10Å | |
| N5 | H4 | sing | 0.97Å | 1.00Å | |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| C7M | H6 | sing | 1.09Å | 1.10Å | |
| C7M | H7 | sing | 1.09Å | 1.10Å | |
| C7M | H8 | sing | 1.09Å | 1.10Å | |
| C8M | H9 | sing | 1.09Å | 1.10Å | |
| C8M | H10 | sing | 1.09Å | 1.10Å | |
| C8M | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.08Å | 1.08Å | |
| C1' | H14 | sing | 1.09Å | 1.10Å | |
| C1' | H15 | sing | 1.09Å | 1.10Å | |
| C2' | H16 | sing | 1.09Å | 1.10Å | |
| O2' | H17 | sing | 0.97Å | 0.95Å | |
| C3' | H18 | sing | 1.09Å | 1.10Å | |
| O3' | H19 | sing | 0.97Å | 0.95Å | |
| C4' | H20 | sing | 1.09Å | 1.10Å | |
| O4' | H21 | sing | 0.97Å | 0.95Å | |
| C5' | H22 | sing | 1.09Å | 1.10Å | |
| C5' | H23 | sing | 1.09Å | 1.10Å | |
| O2P | H24 | sing | 0.97Å | 0.95Å | |
| O3P | H25 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7M | C7 | C6 | 119.5° | 119.9° |
| C7M | C7 | C8 | 121.4° | 119.9° |
| C7 | C7M | H6 | 109.5° | 109.5° |
| C7 | C7M | H7 | 109.5° | 109.4° |
| C7 | C7M | H8 | 109.5° | 109.5° |
| C6 | C7 | C8 | 119.2° | 120.2° |
| C7 | C6 | C5A | 121.5° | 119.7° |
| C7 | C6 | H5 | 119.3° | 120.2° |
| C7 | C8 | C8M | 121.5° | 119.8° |
| C7 | C8 | C9 | 119.5° | 120.4° |
| C6 | C5A | N5 | 123.5° | 120.9° |
| C6 | C5A | C9A | 118.9° | 120.3° |
| C5A | C6 | H5 | 119.3° | 120.1° |
| C8M | C8 | C9 | 118.9° | 119.8° |
| C8 | C8M | H9 | 109.5° | 109.5° |
| C8 | C8M | H10 | 109.5° | 109.5° |
| C8 | C8M | H11 | 109.5° | 109.4° |
| C8 | C9 | C9A | 121.0° | 119.9° |
| C8 | C9 | H12 | 119.5° | 120.0° |
| N5 | C5A | C9A | 117.5° | 118.8° |
| C5A | N5 | C4A | 116.1° | 116.5° |
| C5A | N5 | H4 | 107.8° | 121.7° |
| C5A | C9A | C9 | 119.9° | 119.5° |
| C5A | C9A | N10 | 118.4° | 120.1° |
| N5 | C4A | C4 | 110.1° | 111.7° |
| N5 | C4A | C10 | 110.5° | 108.9° |
| N5 | C4A | H3 | 109.2° | 107.9° |
| C4A | N5 | H4 | 107.7° | 121.7° |
| O4 | C4 | C4A | 120.9° | 119.7° |
| O4 | C4 | N3 | 124.0° | 119.7° |
| C4 | C4A | C10 | 111.2° | 111.0° |
| C4A | C4 | N3 | 115.1° | 120.6° |
| C4 | C4A | H3 | 107.7° | 108.7° |
| C4A | C10 | N10 | 116.5° | 119.2° |
| C4A | C10 | N1 | 121.7° | 121.0° |
| C10 | C4A | H3 | 108.0° | 108.7° |
| C9 | C9A | N10 | 121.7° | 120.4° |
| C9A | C9 | H12 | 119.5° | 120.0° |
| C9A | N10 | C10 | 121.4° | 120.1° |
| C9A | N10 | C1' | 120.8° | 120.0° |
| C4 | N3 | C2 | 125.7° | 121.0° |
| C4 | N3 | H2 | 117.2° | 119.5° |
| C10 | N10 | C1' | 117.8° | 119.9° |
| N10 | C10 | N1 | 120.9° | 119.7° |
| N10 | C1' | C2' | 116.7° | 109.4° |
| N10 | C1' | H14 | 107.6° | 109.4° |
| N10 | C1' | H15 | 107.7° | 109.5° |
| C10 | N1 | C2 | 120.0° | 122.2° |
| N3 | C2 | N1 | 118.0° | 121.9° |
| N3 | C2 | O2 | 118.1° | 119.1° |
| C2 | N3 | H2 | 117.1° | 119.6° |
| O2' | C2' | C1' | 107.9° | 109.5° |
| O2' | C2' | C3' | 108.6° | 109.4° |
| O2' | C2' | H16 | 110.5° | 109.5° |
| C2' | O2' | H17 | 109.5° | 114.0° |
| N1 | C2 | O2 | 124.0° | 119.0° |
| C1' | C2' | C3' | 111.6° | 109.4° |
| C2' | C1' | H14 | 107.6° | 109.4° |
| C2' | C1' | H15 | 107.6° | 109.5° |
| C1' | C2' | H16 | 109.1° | 109.5° |
| C2' | C3' | O3' | 109.3° | 109.5° |
| C2' | C3' | C4' | 114.1° | 109.5° |
| C3' | C2' | H16 | 109.1° | 109.5° |
| C2' | C3' | H18 | 107.9° | 109.6° |
| O3' | C3' | C4' | 108.1° | 109.4° |
| O3' | C3' | H18 | 109.3° | 109.5° |
| C3' | O3' | H19 | 109.5° | 114.0° |
| C3' | C4' | O4' | 110.0° | 109.4° |
| C3' | C4' | C5' | 111.9° | 109.5° |
| C4' | C3' | H18 | 108.1° | 109.4° |
| C3' | C4' | H20 | 108.2° | 109.5° |
| O4' | C4' | C5' | 109.0° | 109.5° |
| O4' | C4' | H20 | 109.5° | 109.5° |
| C4' | O4' | H21 | 109.5° | 114.0° |
| C4' | C5' | O5' | 115.5° | 109.5° |
| C5' | C4' | H20 | 108.1° | 109.5° |
| C4' | C5' | H22 | 108.0° | 109.4° |
| C4' | C5' | H23 | 108.0° | 109.5° |
| C5' | O5' | P | 120.4° | 123.0° |
| O5' | C5' | H22 | 107.9° | 109.5° |
| O5' | C5' | H23 | 108.0° | 109.5° |
| O5' | P | O1P | 106.1° | 109.5° |
| O5' | P | O2P | 97.9° | 109.5° |
| O5' | P | O3P | 104.0° | 109.5° |
| O1P | P | O2P | 113.8° | 109.5° |
| O1P | P | O3P | 117.4° | 109.5° |
| O2P | P | O3P | 114.7° | 109.5° |
| P | O2P | H24 | 109.5° | 114.0° |
| P | O3P | H25 | 109.5° | 114.0° |
| H6 | C7M | H7 | 109.5° | 109.5° |
| H6 | C7M | H8 | 109.5° | 109.5° |
| H7 | C7M | H8 | 109.4° | 109.5° |
| H9 | C8M | H10 | 109.5° | 109.5° |
| H9 | C8M | H11 | 109.5° | 109.5° |
| H10 | C8M | H11 | 109.5° | 109.5° |
| H14 | C1' | H15 | 109.5° | 109.5° |
| H22 | C5' | H23 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7M | C7 | C6 | C8 | 179.8° | 180.0° |
| C7M | C7 | C6 | C5A | 179.9° | 180.0° |
| C7M | C7 | C8 | C8M | 0.1° | 0.4° |
| C7M | C7 | C8 | C9 | 179.8° | 179.8° |
| C7M | C7 | C6 | H5 | 0.2° | 0.0° |
| C7 | C7M | H6 | H7 | 120.0° | 119.9° |
| C7 | C7M | H6 | H8 | 120.0° | 120.0° |
| C7 | C7M | H7 | H8 | 120.0° | 120.0° |
| C7 | C6 | C5A | H5 | 180.0° | 180.0° |
| C6 | C7 | C8 | C8M | 179.7° | 179.6° |
| C6 | C7 | C8 | C9 | 0.0° | 0.3° |
| C7 | C6 | C5A | N5 | 179.9° | 179.3° |
| C7 | C6 | C5A | C9A | 0.1° | 0.6° |
| C6 | C7 | C7M | H6 | 89.9° | 90.0° |
| C6 | C7 | C7M | H7 | 150.1° | 150.0° |
| C6 | C7 | C7M | H8 | 30.1° | 30.1° |
| C8 | C7 | C6 | C5A | 0.1° | 0.0° |
| C7 | C8 | C8M | C9 | 179.7° | 179.9° |
| C7 | C8 | C9 | C9A | 0.2° | 0.2° |
| C8 | C7 | C6 | H5 | 180.0° | 180.0° |
| C8 | C7 | C7M | H6 | 89.9° | 90.0° |
| C8 | C7 | C7M | H7 | 30.1° | 30.0° |
| C8 | C7 | C7M | H8 | 150.1° | 150.0° |
| C7 | C8 | C8M | H9 | 89.9° | 89.9° |
| C7 | C8 | C8M | H10 | 150.1° | 150.0° |
| C7 | C8 | C8M | H11 | 30.1° | 30.1° |
| C7 | C8 | C9 | H12 | 179.9° | 180.0° |
| C6 | C5A | N5 | C9A | 179.8° | 179.9° |
| C6 | C5A | N5 | C4A | 144.8° | 151.8° |
| C6 | C5A | C9A | C9 | 0.3° | 1.0° |
| C6 | C5A | C9A | N10 | 179.4° | 177.9° |
| C6 | C5A | N5 | H4 | 23.9° | 28.3° |
| C8M | C8 | C9 | C9A | 179.9° | 180.0° |
| C8 | C8M | H9 | H10 | 120.0° | 120.0° |
| C8 | C8M | H9 | H11 | 120.0° | 120.0° |
| C8 | C8M | H10 | H11 | 120.0° | 120.0° |
| C8M | C8 | C9 | H12 | 0.1° | 0.1° |
| C8 | C9 | C9A | C5A | 0.4° | 0.8° |
| C8 | C9 | C9A | H12 | 180.0° | 179.9° |
| C8 | C9 | C9A | N10 | 179.3° | 178.1° |
| C9 | C8 | C8M | H9 | 89.9° | 89.9° |
| C9 | C8 | C8M | H10 | 30.1° | 30.1° |
| C9 | C8 | C8M | H11 | 150.1° | 150.1° |
| C5A | N5 | C4A | H4 | 121.0° | 180.0° |
| C5A | N5 | C4A | C4 | 174.6° | 168.8° |
| C5A | N5 | C4A | C10 | 51.4° | 45.9° |
| N5 | C5A | C9A | C9 | 179.9° | 178.9° |
| N5 | C5A | C9A | N10 | 0.4° | 2.2° |
| C5A | N5 | C4A | H3 | 67.3° | 71.8° |
| N5 | C5A | C6 | H5 | 0.1° | 0.7° |
| C9A | C5A | N5 | C4A | 35.4° | 28.1° |
| C5A | C9A | C9 | N10 | 179.7° | 178.9° |
| C5A | C9A | N10 | C10 | 17.8° | 10.9° |
| C5A | C9A | N10 | C1' | 159.4° | 169.2° |
| C9A | C5A | N5 | H4 | 156.4° | 151.8° |
| C9A | C5A | C6 | H5 | 179.8° | 179.4° |
| C5A | C9A | C9 | H12 | 179.7° | 179.3° |
| N5 | C4A | C4 | O4 | 37.4° | 44.4° |
| N5 | C4A | C4 | C10 | 122.8° | 121.7° |
| N5 | C4A | C4 | H3 | 119.1° | 118.9° |
| N5 | C4A | C10 | H3 | 119.4° | 117.3° |
| N5 | C4A | C4 | N3 | 142.9° | 135.5° |
| N5 | C4A | C10 | N10 | 33.7° | 37.9° |
| N5 | C4A | C10 | N1 | 157.1° | 138.8° |
| O4 | C4 | C4A | N3 | 179.8° | 179.9° |
| O4 | C4 | C4A | C10 | 160.1° | 166.1° |
| O4 | C4 | N3 | C2 | 179.4° | 177.2° |
| O4 | C4 | N3 | H2 | 0.6° | 2.9° |
| O4 | C4 | C4A | H3 | 81.7° | 74.4° |
| C4 | C4A | C10 | H3 | 118.0° | 119.4° |
| C4 | C4A | C10 | N10 | 156.2° | 161.2° |
| C4 | C4A | C10 | N1 | 34.6° | 15.4° |
| C4A | C4 | N3 | C2 | 0.3° | 2.7° |
| C4A | C4 | N3 | H2 | 179.6° | 177.2° |
| C4 | C4A | N5 | H4 | 64.4° | 11.1° |
| C4A | C10 | N10 | C9A | 0.4° | 10.9° |
| C10 | C4A | C4 | N3 | 20.1° | 13.8° |
| C4A | C10 | N10 | N1 | 169.3° | 176.7° |
| C4A | C10 | N10 | C1' | 177.7° | 169.0° |
| C4A | C10 | N1 | C2 | 26.0° | 5.9° |
| C10 | C4A | N5 | H4 | 172.4° | 134.0° |
| C9 | C9A | N10 | C10 | 162.5° | 170.2° |
| C9 | C9A | N10 | C1' | 20.3° | 9.8° |
| C9A | N10 | C10 | C1' | 177.3° | 179.9° |
| C9A | N10 | C10 | N1 | 169.7° | 165.8° |
| C9A | N10 | C1' | C2' | 98.4° | 84.3° |
| N10 | C9A | C9 | H12 | 0.6° | 1.8° |
| C9A | N10 | C1' | H14 | 140.6° | 35.6° |
| C9A | N10 | C1' | H15 | 22.6° | 155.6° |
| C4 | N3 | C2 | H2 | 180.0° | 179.9° |
| C4 | N3 | C2 | N1 | 11.2° | 8.9° |
| C4 | N3 | C2 | O2 | 168.6° | 171.1° |
| N3 | C4 | C4A | H3 | 98.1° | 105.6° |
| N10 | C10 | N1 | C2 | 165.3° | 170.8° |
| C10 | N10 | C1' | C2' | 84.3° | 95.8° |
| N10 | C10 | C4A | H3 | 85.7° | 79.3° |
| C10 | N10 | C1' | H14 | 36.7° | 144.3° |
| C10 | N10 | C1' | H15 | 154.6° | 24.3° |
| C1' | N10 | C10 | N1 | 13.1° | 14.2° |
| N10 | C1' | C2' | O2' | 38.0° | 65.3° |
| N10 | C1' | C2' | H14 | 121.0° | 119.9° |
| N10 | C1' | C2' | H15 | 121.1° | 120.0° |
| N10 | C1' | C2' | C3' | 157.2° | 174.7° |
| N10 | C1' | H14 | H15 | 116.8° | 120.0° |
| N10 | C1' | C2' | H16 | 82.2° | 54.7° |
| C10 | N1 | C2 | N3 | 2.2° | 7.3° |
| C10 | N1 | C2 | O2 | 177.9° | 172.7° |
| N1 | C10 | C4A | H3 | 83.4° | 104.0° |
| N3 | C2 | N1 | O2 | 179.8° | 180.0° |
| O2' | C2' | C1' | C3' | 119.3° | 119.9° |
| O2' | C2' | C1' | H16 | 120.1° | 120.0° |
| O2' | C2' | C3' | H16 | 120.5° | 120.0° |
| O2' | C2' | C3' | O3' | 68.6° | 180.0° |
| O2' | C2' | C3' | C4' | 170.3° | 60.0° |
| O2' | C2' | C1' | H14 | 159.0° | 174.7° |
| O2' | C2' | C1' | H15 | 83.1° | 54.7° |
| O2' | C2' | C3' | H18 | 50.2° | 60.0° |
| N1 | C2 | N3 | H2 | 168.7° | 171.2° |
| O2 | C2 | N3 | H2 | 11.4° | 8.8° |
| C1' | C2' | C3' | H16 | 120.7° | 120.0° |
| C1' | C2' | C3' | O3' | 50.3° | 60.0° |
| C1' | C2' | C3' | C4' | 70.9° | 180.0° |
| C2' | C1' | H14 | H15 | 116.7° | 120.1° |
| C1' | C2' | O2' | H17 | 180.0° | 58.8° |
| C1' | C2' | C3' | H18 | 169.0° | 60.0° |
| C2' | C3' | O3' | C4' | 124.7° | 120.0° |
| C2' | C3' | O3' | H18 | 117.9° | 120.1° |
| C2' | C3' | C4' | H18 | 120.0° | 120.1° |
| C2' | C3' | C4' | O4' | 61.9° | 60.0° |
| C2' | C3' | C4' | C5' | 176.8° | 180.0° |
| C3' | C2' | C1' | H14 | 81.8° | 54.8° |
| C3' | C2' | C1' | H15 | 36.2° | 65.3° |
| C3' | C2' | O2' | H17 | 58.8° | 61.2° |
| C2' | C3' | O3' | H19 | 180.0° | 60.0° |
| C2' | C3' | C4' | H20 | 57.8° | 60.0° |
| O3' | C3' | C4' | H18 | 118.2° | 119.9° |
| O3' | C3' | C4' | O4' | 176.4° | 180.0° |
| O3' | C3' | C4' | C5' | 55.0° | 60.0° |
| O3' | C3' | C2' | H16 | 170.9° | 60.0° |
| O3' | C3' | C4' | H20 | 64.0° | 60.0° |
| C3' | C4' | O4' | C5' | 123.1° | 120.0° |
| C3' | C4' | O4' | H20 | 118.8° | 120.0° |
| C3' | C4' | C5' | H20 | 119.1° | 120.0° |
| C3' | C4' | C5' | O5' | 43.3° | 175.0° |
| C4' | C3' | C2' | H16 | 49.8° | 60.0° |
| C4' | C3' | O3' | H19 | 55.3° | 60.0° |
| C3' | C4' | O4' | H21 | 72.1° | 60.0° |
| C3' | C4' | C5' | H22 | 164.1° | 55.0° |
| C3' | C4' | C5' | H23 | 77.7° | 64.9° |
| O4' | C4' | C5' | H20 | 119.0° | 120.0° |
| O4' | C4' | C5' | O5' | 78.7° | 65.0° |
| O4' | C4' | C3' | H18 | 58.1° | 60.1° |
| O4' | C4' | C5' | H22 | 42.2° | 175.0° |
| O4' | C4' | C5' | H23 | 160.4° | 55.0° |
| C4' | C5' | O5' | H22 | 120.9° | 120.0° |
| C4' | C5' | O5' | H23 | 120.9° | 120.1° |
| C4' | C5' | O5' | P | 81.9° | 180.0° |
| C5' | C4' | C3' | H18 | 63.2° | 59.9° |
| C5' | C4' | O4' | H21 | 51.0° | 60.0° |
| C4' | C5' | H22 | H23 | 117.2° | 120.0° |
| C5' | O5' | P | O1P | 65.5° | 55.0° |
| C5' | O5' | P | O2P | 176.9° | 65.0° |
| C5' | O5' | P | O3P | 58.9° | 175.0° |
| O5' | C5' | C4' | H20 | 162.3° | 55.0° |
| O5' | C5' | H22 | H23 | 117.2° | 120.0° |
| O5' | P | O1P | O2P | 106.4° | 120.0° |
| O5' | P | O1P | O3P | 115.6° | 120.0° |
| O5' | P | O2P | O3P | 109.4° | 120.0° |
| P | O5' | C5' | H22 | 39.0° | 60.0° |
| P | O5' | C5' | H23 | 157.2° | 60.0° |
| O5' | P | O2P | H24 | 111.5° | 60.0° |
| O5' | P | O3P | H25 | 116.8° | 180.0° |
| O1P | P | O2P | O3P | 139.2° | 120.0° |
| O1P | P | O2P | H24 | 0.0° | 179.9° |
| O1P | P | O3P | H25 | 0.0° | 60.0° |
| O2P | P | O3P | H25 | 137.6° | 60.0° |
| O3P | P | O2P | H24 | 139.1° | 60.1° |
| H3 | C4A | N5 | H4 | 53.7° | 108.2° |
| H6 | C7M | H7 | H8 | 120.0° | 120.1° |
| H9 | C8M | H10 | H11 | 120.0° | 120.0° |
| H14 | C1' | C2' | H16 | 38.9° | 65.2° |
| H15 | C1' | C2' | H16 | 156.8° | 174.7° |
| H16 | C2' | O2' | H17 | 60.8° | 178.8° |
| H16 | C2' | C3' | H18 | 70.3° | 180.0° |
| H18 | C3' | O3' | H19 | 62.1° | 179.9° |
| H18 | C3' | C4' | H20 | 177.7° | 180.0° |
| H20 | C4' | O4' | H21 | 169.1° | 180.0° |
| H20 | C4' | C5' | H22 | 76.8° | 65.0° |
| H20 | C4' | C5' | H23 | 41.4° | 175.0° |
