GMI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CM2 | C2' | sing | 1.51Å | 1.50Å | |
| C2' | N3' | doub | 1.32Å | 1.34Å | Aromatic |
| C2' | N1' | sing | 1.32Å | 1.34Å | Aromatic |
| N3' | C4' | sing | 1.33Å | 1.35Å | Aromatic |
| O3B | PB | doub | 1.48Å | 1.49Å | |
| N1' | C6' | doub | 1.33Å | 1.34Å | Aromatic |
| C4' | N4' | sing | 1.38Å | 1.34Å | |
| C4' | C5' | doub | 1.40Å | 1.42Å | Aromatic |
| C2 | S1 | sing | 1.71Å | 1.71Å | Aromatic |
| C2 | N3 | doub | 1.29Å | 1.29Å | Aromatic |
| C6' | C5' | sing | 1.38Å | 1.37Å | Aromatic |
| S1 | C5 | sing | 1.76Å | 1.77Å | Aromatic |
| C5' | C7' | sing | 1.51Å | 1.51Å | |
| C7' | N3 | sing | 1.47Å | 1.47Å | |
| N3 | C4 | sing | 1.32Å | 1.39Å | Aromatic |
| PB | C3A | sing | 1.82Å | 1.90Å | |
| PB | O1B | sing | 1.61Å | 1.55Å | |
| PB | O2B | sing | 1.61Å | 1.55Å | |
| C3A | PA | sing | 1.82Å | 1.87Å | |
| C5 | C4 | doub | 1.34Å | 1.34Å | Aromatic |
| C5 | C6 | sing | 1.51Å | 1.50Å | |
| C4 | CM4 | sing | 1.51Å | 1.50Å | |
| C7 | C6 | sing | 1.53Å | 1.53Å | |
| C7 | O7 | sing | 1.43Å | 1.43Å | |
| PA | O7 | sing | 1.61Å | 1.57Å | |
| PA | O1A | doub | 1.48Å | 1.50Å | |
| PA | O2A | sing | 1.61Å | 1.56Å | |
| CM2 | H1 | sing | 1.09Å | 1.10Å | |
| CM2 | H2 | sing | 1.09Å | 1.10Å | |
| CM2 | H3 | sing | 1.09Å | 1.10Å | |
| N4' | H4 | sing | 0.97Å | 1.00Å | |
| N4' | H5 | sing | 0.97Å | 1.00Å | |
| C6' | H6 | sing | 1.08Å | 1.08Å | |
| C7' | H7 | sing | 1.09Å | 1.10Å | |
| C7' | H8 | sing | 1.09Å | 1.10Å | |
| C2 | H9 | sing | 1.08Å | 1.08Å | |
| CM4 | H10 | sing | 1.09Å | 1.10Å | |
| CM4 | H11 | sing | 1.09Å | 1.10Å | |
| CM4 | H12 | sing | 1.09Å | 1.10Å | |
| C6 | H13 | sing | 1.09Å | 1.10Å | |
| C6 | H14 | sing | 1.09Å | 1.10Å | |
| C7 | H15 | sing | 1.09Å | 1.10Å | |
| C7 | H16 | sing | 1.09Å | 1.10Å | |
| O2A | H17 | sing | 0.97Å | 0.95Å | |
| O1B | H18 | sing | 0.97Å | 0.95Å | |
| O2B | H19 | sing | 0.97Å | 0.95Å | |
| C3A | H20 | sing | 1.09Å | 1.10Å | |
| C3A | H21 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CM2 | C2' | N3' | 118.4° | 119.1° |
| CM2 | C2' | N1' | 116.6° | 119.1° |
| C2' | CM2 | H1 | 109.5° | 109.5° |
| C2' | CM2 | H2 | 109.5° | 109.5° |
| C2' | CM2 | H3 | 109.4° | 109.4° |
| N3' | C2' | N1' | 125.0° | 121.8° |
| C2' | N3' | C4' | 119.1° | 120.7° |
| C2' | N1' | C6' | 116.5° | 121.1° |
| N3' | C4' | N4' | 120.8° | 120.5° |
| N3' | C4' | C5' | 118.7° | 119.0° |
| O3B | PB | C3A | 110.2° | 109.5° |
| O3B | PB | O1B | 109.1° | 109.5° |
| O3B | PB | O2B | 110.1° | 109.4° |
| N1' | C6' | C5' | 123.2° | 119.1° |
| N1' | C6' | H6 | 118.4° | 120.4° |
| N4' | C4' | C5' | 120.5° | 120.5° |
| C4' | N4' | H4 | 109.5° | 120.0° |
| C4' | N4' | H5 | 109.5° | 120.0° |
| C4' | C5' | C6' | 117.5° | 118.4° |
| C4' | C5' | C7' | 120.2° | 120.9° |
| S1 | C2 | N3 | 111.2° | 110.1° |
| C2 | S1 | C5 | 91.3° | 90.3° |
| S1 | C2 | H9 | 124.4° | 124.9° |
| C2 | N3 | C7' | 123.5° | 121.4° |
| C2 | N3 | C4 | 115.5° | 117.2° |
| N3 | C2 | H9 | 124.4° | 125.0° |
| C6' | C5' | C7' | 122.3° | 120.8° |
| C5' | C6' | H6 | 118.4° | 120.4° |
| S1 | C5 | C4 | 108.0° | 107.9° |
| S1 | C5 | C6 | 126.1° | 126.0° |
| C5' | C7' | N3 | 111.8° | 109.5° |
| C5' | C7' | H7 | 108.9° | 109.5° |
| C5' | C7' | H8 | 108.9° | 109.4° |
| C7' | N3 | C4 | 121.0° | 121.4° |
| N3 | C7' | H7 | 108.9° | 109.5° |
| N3 | C7' | H8 | 108.9° | 109.5° |
| N3 | C4 | C5 | 113.9° | 114.5° |
| N3 | C4 | CM4 | 121.6° | 122.8° |
| C3A | PB | O1B | 109.1° | 109.5° |
| C3A | PB | O2B | 110.1° | 109.5° |
| PB | C3A | PA | 117.5° | 109.5° |
| PB | C3A | H20 | 107.4° | 109.5° |
| PB | C3A | H21 | 107.4° | 109.5° |
| O1B | PB | O2B | 108.3° | 109.5° |
| PB | O1B | H18 | 109.5° | 114.0° |
| PB | O2B | H19 | 109.5° | 114.0° |
| C3A | PA | O7 | 111.2° | 109.5° |
| C3A | PA | O1A | 112.5° | 109.4° |
| C3A | PA | O2A | 110.0° | 109.5° |
| PA | C3A | H20 | 107.4° | 109.4° |
| PA | C3A | H21 | 107.4° | 109.5° |
| C4 | C5 | C6 | 125.8° | 126.1° |
| C5 | C4 | CM4 | 124.5° | 122.7° |
| C5 | C6 | C7 | 108.9° | 109.5° |
| C5 | C6 | H13 | 109.6° | 109.5° |
| C5 | C6 | H14 | 109.6° | 109.5° |
| C4 | CM4 | H10 | 109.5° | 109.5° |
| C4 | CM4 | H11 | 109.5° | 109.5° |
| C4 | CM4 | H12 | 109.4° | 109.5° |
| C6 | C7 | O7 | 103.5° | 109.5° |
| C7 | C6 | H13 | 109.6° | 109.4° |
| C7 | C6 | H14 | 109.6° | 109.5° |
| C6 | C7 | H15 | 111.0° | 109.4° |
| C6 | C7 | H16 | 110.9° | 109.5° |
| C7 | O7 | PA | 126.2° | 123.0° |
| O7 | C7 | H15 | 110.9° | 109.5° |
| O7 | C7 | H16 | 111.0° | 109.5° |
| O7 | PA | O1A | 106.7° | 109.5° |
| O7 | PA | O2A | 108.4° | 109.5° |
| O1A | PA | O2A | 107.8° | 109.5° |
| PA | O2A | H17 | 109.5° | 114.0° |
| H1 | CM2 | H2 | 109.5° | 109.5° |
| H1 | CM2 | H3 | 109.5° | 109.4° |
| H2 | CM2 | H3 | 109.5° | 109.5° |
| H4 | N4' | H5 | 109.5° | 120.0° |
| H7 | C7' | H8 | 109.4° | 109.4° |
| H10 | CM4 | H11 | 109.5° | 109.5° |
| H10 | CM4 | H12 | 109.4° | 109.4° |
| H11 | CM4 | H12 | 109.5° | 109.5° |
| H13 | C6 | H14 | 109.4° | 109.5° |
| H15 | C7 | H16 | 109.5° | 109.5° |
| H20 | C3A | H21 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CM2 | C2' | N3' | N1' | 179.9° | 180.0° |
| CM2 | C2' | N3' | C4' | 179.9° | 180.0° |
| CM2 | C2' | N1' | C6' | 179.9° | 180.0° |
| C2' | CM2 | H1 | H2 | 120.0° | 120.0° |
| C2' | CM2 | H1 | H3 | 120.0° | 120.0° |
| C2' | CM2 | H2 | H3 | 120.0° | 120.0° |
| N3' | C2' | N1' | C6' | 0.1° | 0.0° |
| C2' | N3' | C4' | N4' | 180.0° | 180.0° |
| C2' | N3' | C4' | C5' | 0.2° | 0.0° |
| N3' | C2' | CM2 | H1 | 0.0° | 90.0° |
| N3' | C2' | CM2 | H2 | 120.0° | 150.0° |
| N3' | C2' | CM2 | H3 | 120.0° | 30.0° |
| N1' | C2' | N3' | C4' | 0.2° | 0.0° |
| C2' | N1' | C6' | C5' | 0.0° | 0.0° |
| N1' | C2' | CM2 | H1 | 179.9° | 90.0° |
| N1' | C2' | CM2 | H2 | 59.9° | 30.0° |
| N1' | C2' | CM2 | H3 | 60.1° | 150.0° |
| C2' | N1' | C6' | H6 | 180.0° | 180.0° |
| N3' | C4' | N4' | C5' | 179.8° | 180.0° |
| N3' | C4' | C5' | C6' | 0.0° | 0.0° |
| N3' | C4' | C5' | C7' | 179.0° | 180.0° |
| N3' | C4' | N4' | H4 | 0.0° | 0.0° |
| N3' | C4' | N4' | H5 | 120.0° | 179.9° |
| O3B | PB | C3A | O1B | 119.8° | 120.0° |
| O3B | PB | C3A | O2B | 121.6° | 120.0° |
| O3B | PB | O1B | O2B | 119.8° | 119.9° |
| O3B | PB | C3A | PA | 172.1° | 60.0° |
| O3B | PB | O1B | H18 | 0.0° | 59.9° |
| O3B | PB | O2B | H19 | 0.0° | 180.0° |
| O3B | PB | C3A | H20 | 50.9° | 180.0° |
| O3B | PB | C3A | H21 | 66.8° | 60.1° |
| N1' | C6' | C5' | C4' | 0.0° | 0.0° |
| N1' | C6' | C5' | H6 | 180.0° | 180.0° |
| N1' | C6' | C5' | C7' | 179.0° | 180.0° |
| N4' | C4' | C5' | C6' | 179.9° | 180.0° |
| N4' | C4' | C5' | C7' | 0.9° | 0.0° |
| C4' | N4' | H4 | H5 | 120.0° | 179.9° |
| C4' | C5' | C6' | C7' | 179.0° | 180.0° |
| C4' | C5' | C7' | N3 | 162.0° | 81.7° |
| C5' | C4' | N4' | H4 | 179.8° | 179.9° |
| C5' | C4' | N4' | H5 | 60.2° | 0.0° |
| C4' | C5' | C6' | H6 | 180.0° | 180.0° |
| C4' | C5' | C7' | H7 | 41.6° | 158.3° |
| C4' | C5' | C7' | H8 | 77.6° | 38.4° |
| S1 | C2 | N3 | H9 | 180.0° | 180.0° |
| S1 | C2 | N3 | C7' | 179.2° | 180.0° |
| S1 | C2 | N3 | C4 | 1.1° | 0.3° |
| C2 | S1 | C5 | C4 | 0.2° | 0.3° |
| C2 | S1 | C5 | C6 | 179.8° | 180.0° |
| N3 | C2 | S1 | C5 | 0.7° | 0.0° |
| C2 | N3 | C7' | C5' | 83.1° | 91.8° |
| C2 | N3 | C7' | C4 | 178.0° | 179.7° |
| C2 | N3 | C4 | C5 | 1.0° | 0.5° |
| C2 | N3 | C4 | CM4 | 179.2° | 179.7° |
| C2 | N3 | C7' | H7 | 37.3° | 148.1° |
| C2 | N3 | C7' | H8 | 156.5° | 28.1° |
| C6' | C5' | C7' | N3 | 16.9° | 98.3° |
| C6' | C5' | C7' | H7 | 137.3° | 21.7° |
| C6' | C5' | C7' | H8 | 103.4° | 141.7° |
| S1 | C5 | C4 | N3 | 0.4° | 0.5° |
| S1 | C5 | C4 | C6 | 179.6° | 179.7° |
| S1 | C5 | C4 | CM4 | 179.8° | 179.7° |
| S1 | C5 | C6 | C7 | 29.2° | 90.0° |
| C5 | S1 | C2 | H9 | 179.3° | 180.0° |
| S1 | C5 | C6 | H13 | 149.1° | 30.0° |
| S1 | C5 | C6 | H14 | 90.7° | 150.0° |
| C5' | C7' | N3 | H7 | 120.4° | 120.1° |
| C5' | C7' | N3 | H8 | 120.4° | 120.0° |
| C5' | C7' | N3 | C4 | 94.9° | 87.9° |
| C7' | C5' | C6' | H6 | 1.0° | 0.0° |
| C5' | C7' | H7 | H8 | 118.9° | 119.9° |
| C7' | N3 | C4 | C5 | 179.1° | 179.8° |
| C7' | N3 | C4 | CM4 | 1.1° | 0.0° |
| N3 | C7' | H7 | H8 | 118.9° | 120.0° |
| C7' | N3 | C2 | H9 | 0.8° | 0.0° |
| N3 | C4 | C5 | CM4 | 179.8° | 179.8° |
| N3 | C4 | C5 | C6 | 179.2° | 179.8° |
| C4 | N3 | C7' | H7 | 144.7° | 32.2° |
| C4 | N3 | C7' | H8 | 25.5° | 152.1° |
| C4 | N3 | C2 | H9 | 178.9° | 179.7° |
| N3 | C4 | CM4 | H10 | 90.1° | 95.5° |
| N3 | C4 | CM4 | H11 | 149.9° | 144.4° |
| N3 | C4 | CM4 | H12 | 29.9° | 24.5° |
| C3A | PB | O1B | O2B | 119.8° | 120.0° |
| PB | C3A | PA | H20 | 121.2° | 120.0° |
| PB | C3A | PA | H21 | 121.2° | 120.1° |
| PB | C3A | PA | O7 | 178.0° | 180.0° |
| PB | C3A | PA | O1A | 58.4° | 60.0° |
| PB | C3A | PA | O2A | 61.8° | 60.0° |
| C3A | PB | O1B | H18 | 120.5° | 180.0° |
| C3A | PB | O2B | H19 | 121.6° | 60.0° |
| PB | C3A | H20 | H21 | 116.4° | 120.0° |
| O1B | PB | C3A | PA | 68.2° | 180.0° |
| O1B | PB | O2B | H19 | 119.2° | 60.0° |
| O1B | PB | C3A | H20 | 170.7° | 60.0° |
| O1B | PB | C3A | H21 | 53.0° | 60.0° |
| O2B | PB | C3A | PA | 50.5° | 60.0° |
| O2B | PB | O1B | H18 | 119.8° | 60.0° |
| O2B | PB | C3A | H20 | 70.7° | 60.0° |
| O2B | PB | C3A | H21 | 171.6° | 180.0° |
| C3A | PA | O7 | C7 | 46.4° | 175.0° |
| C3A | PA | O7 | O1A | 123.0° | 120.0° |
| C3A | PA | O7 | O2A | 121.1° | 120.0° |
| C3A | PA | O1A | O2A | 121.5° | 120.0° |
| C3A | PA | O2A | H17 | 123.1° | 60.0° |
| PA | C3A | H20 | H21 | 116.3° | 119.9° |
| C4 | C5 | C6 | C7 | 150.4° | 90.3° |
| C5 | C4 | CM4 | H10 | 90.1° | 84.2° |
| C5 | C4 | CM4 | H11 | 29.9° | 35.8° |
| C5 | C4 | CM4 | H12 | 149.9° | 155.8° |
| C4 | C5 | C6 | H13 | 30.5° | 149.7° |
| C4 | C5 | C6 | H14 | 89.7° | 29.7° |
| C6 | C5 | C4 | CM4 | 0.6° | 0.0° |
| C5 | C6 | C7 | H13 | 119.9° | 120.1° |
| C5 | C6 | C7 | H14 | 119.9° | 120.0° |
| C5 | C6 | C7 | O7 | 85.1° | 180.0° |
| C5 | C6 | H13 | H14 | 120.3° | 120.0° |
| C5 | C6 | C7 | H15 | 155.8° | 60.0° |
| C5 | C6 | C7 | H16 | 33.9° | 60.0° |
| C4 | CM4 | H10 | H11 | 120.0° | 120.0° |
| C4 | CM4 | H10 | H12 | 120.0° | 120.0° |
| C4 | CM4 | H11 | H12 | 120.0° | 120.0° |
| C6 | C7 | O7 | H15 | 119.1° | 119.9° |
| C6 | C7 | O7 | H16 | 119.0° | 120.0° |
| C6 | C7 | O7 | PA | 167.2° | 180.0° |
| C7 | C6 | H13 | H14 | 120.3° | 120.0° |
| C6 | C7 | H15 | H16 | 122.8° | 120.0° |
| C7 | O7 | PA | O1A | 169.5° | 55.0° |
| C7 | O7 | PA | O2A | 74.6° | 65.0° |
| O7 | C7 | C6 | H13 | 34.8° | 60.0° |
| O7 | C7 | C6 | H14 | 155.0° | 60.0° |
| O7 | C7 | H15 | H16 | 122.8° | 120.0° |
| O7 | PA | O1A | O2A | 116.3° | 120.0° |
| PA | O7 | C7 | H15 | 73.7° | 60.0° |
| PA | O7 | C7 | H16 | 48.2° | 60.0° |
| O7 | PA | O2A | H17 | 115.1° | 60.0° |
| O7 | PA | C3A | H20 | 56.9° | 59.9° |
| O7 | PA | C3A | H21 | 60.8° | 60.0° |
| O1A | PA | O2A | H17 | 0.0° | 180.0° |
| O1A | PA | C3A | H20 | 62.7° | 180.0° |
| O1A | PA | C3A | H21 | 179.6° | 60.1° |
| O2A | PA | C3A | H20 | 177.0° | 60.1° |
| O2A | PA | C3A | H21 | 59.3° | 180.0° |
| H1 | CM2 | H2 | H3 | 120.0° | 120.0° |
| H10 | CM4 | H11 | H12 | 120.0° | 120.0° |
| H13 | C6 | C7 | H15 | 84.2° | 180.0° |
| H13 | C6 | C7 | H16 | 153.9° | 60.0° |
| H14 | C6 | C7 | H15 | 35.9° | 60.0° |
| H14 | C6 | C7 | H16 | 86.0° | 180.0° |
