MUM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4 | C4 | doub | 1.21Å | 1.22Å | |
| C5M | C5 | sing | 1.53Å | 1.54Å | |
| C5 | C4 | sing | 1.51Å | 1.51Å | |
| C5 | C6 | sing | 1.53Å | 1.56Å | |
| C4 | N3 | sing | 1.35Å | 1.34Å | |
| N3 | C2 | sing | 1.34Å | 1.34Å | |
| C6 | N1 | sing | 1.46Å | 1.48Å | |
| C2 | N1 | sing | 1.34Å | 1.36Å | |
| C2 | O2 | doub | 1.22Å | 1.24Å | |
| N1 | C1' | sing | 1.47Å | 1.48Å | |
| C1' | O4' | sing | 1.44Å | 1.43Å | |
| C1' | C2' | sing | 1.54Å | 1.54Å | |
| O4' | C4' | sing | 1.44Å | 1.42Å | |
| C2' | O2' | sing | 1.43Å | 1.45Å | |
| C2' | C3' | sing | 1.54Å | 1.54Å | |
| C4' | C3' | sing | 1.55Å | 1.52Å | |
| C4' | C5' | sing | 1.53Å | 1.51Å | |
| C3' | O3' | sing | 1.43Å | 1.46Å | |
| O5' | C5' | sing | 1.43Å | 1.43Å | |
| O5' | P | sing | 1.61Å | 1.61Å | |
| O2P | P | sing | 1.61Å | 1.51Å | |
| P | O1P | sing | 1.61Å | 1.50Å | |
| C5 | H1 | sing | 1.09Å | 1.10Å | |
| C5M | H2 | sing | 1.09Å | 1.10Å | |
| C5M | H3 | sing | 1.09Å | 1.10Å | |
| C5M | H4 | sing | 1.09Å | 1.10Å | |
| N3 | H5 | sing | 0.97Å | 1.00Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C1' | H8 | sing | 1.09Å | 1.10Å | |
| C4' | H9 | sing | 1.09Å | 1.10Å | |
| C3' | H10 | sing | 1.09Å | 1.10Å | |
| O3' | H11 | sing | 0.97Å | 0.95Å | |
| C2' | H12 | sing | 1.09Å | 1.10Å | |
| O2' | H13 | sing | 0.97Å | 0.95Å | |
| C5' | H14 | sing | 1.09Å | 1.10Å | |
| C5' | H15 | sing | 1.09Å | 1.10Å | |
| O2P | H16 | sing | 0.97Å | 0.95Å | |
| O1P | H17 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O4 | C4 | C5 | 119.7° | 120.0° |
| O4 | C4 | N3 | 121.1° | 120.0° |
| C5M | C5 | C4 | 107.9° | 109.5° |
| C5M | C5 | C6 | 112.9° | 109.5° |
| C5M | C5 | H1 | 107.2° | 109.6° |
| C5 | C5M | H2 | 109.5° | 109.5° |
| C5 | C5M | H3 | 109.5° | 109.5° |
| C5 | C5M | H4 | 109.5° | 109.5° |
| C4 | C5 | C6 | 113.9° | 109.2° |
| C5 | C4 | N3 | 119.2° | 120.0° |
| C4 | C5 | H1 | 107.5° | 109.6° |
| C5 | C6 | N1 | 111.7° | 109.5° |
| C6 | C5 | H1 | 107.0° | 109.5° |
| C5 | C6 | H6 | 108.9° | 109.5° |
| C5 | C6 | H7 | 108.9° | 109.4° |
| C4 | N3 | C2 | 123.4° | 121.0° |
| C4 | N3 | H5 | 118.3° | 119.5° |
| N3 | C2 | N1 | 116.5° | 121.6° |
| N3 | C2 | O2 | 118.8° | 119.2° |
| C2 | N3 | H5 | 118.3° | 119.6° |
| C6 | N1 | C2 | 124.5° | 120.9° |
| C6 | N1 | C1' | 110.5° | 119.5° |
| N1 | C6 | H6 | 108.9° | 109.5° |
| N1 | C6 | H7 | 108.9° | 109.4° |
| N1 | C2 | O2 | 124.7° | 119.2° |
| C2 | N1 | C1' | 125.0° | 119.5° |
| N1 | C1' | O4' | 109.1° | 110.4° |
| N1 | C1' | C2' | 112.6° | 110.4° |
| N1 | C1' | H8 | 108.7° | 110.3° |
| O4' | C1' | C2' | 108.8° | 104.8° |
| C1' | O4' | C4' | 108.2° | 105.3° |
| O4' | C1' | H8 | 109.5° | 110.4° |
| C1' | C2' | O2' | 111.1° | 110.5° |
| C1' | C2' | C3' | 104.0° | 104.1° |
| C2' | C1' | H8 | 108.0° | 110.5° |
| C1' | C2' | H12 | 107.7° | 110.5° |
| O4' | C4' | C3' | 107.5° | 104.8° |
| O4' | C4' | C5' | 110.2° | 110.4° |
| O4' | C4' | H9 | 110.8° | 110.4° |
| O2' | C2' | C3' | 117.1° | 110.6° |
| O2' | C2' | H12 | 108.8° | 110.4° |
| C2' | O2' | H13 | 109.5° | 114.0° |
| C2' | C3' | C4' | 103.0° | 104.1° |
| C2' | C3' | O3' | 121.6° | 110.5° |
| C2' | C3' | H10 | 106.3° | 110.7° |
| C3' | C2' | H12 | 107.6° | 110.6° |
| C3' | C4' | C5' | 109.3° | 110.4° |
| C4' | C3' | O3' | 111.4° | 110.5° |
| C3' | C4' | H9 | 109.4° | 110.3° |
| C4' | C3' | H10 | 106.5° | 110.5° |
| C4' | C5' | O5' | 110.0° | 109.5° |
| C5' | C4' | H9 | 109.6° | 110.5° |
| C4' | C5' | H14 | 109.3° | 109.5° |
| C4' | C5' | H15 | 109.3° | 109.4° |
| O3' | C3' | H10 | 107.2° | 110.4° |
| C3' | O3' | H11 | 109.5° | 114.0° |
| C5' | O5' | P | 121.2° | 123.0° |
| O5' | C5' | H14 | 109.3° | 109.5° |
| O5' | C5' | H15 | 109.4° | 109.4° |
| O5' | P | O2P | 111.9° | 102.0° |
| O5' | P | O1P | 111.3° | 102.0° |
| O2P | P | O1P | 117.5° | 102.0° |
| P | O2P | H16 | 109.5° | 114.0° |
| P | O1P | H17 | 109.5° | 114.1° |
| H2 | C5M | H3 | 109.5° | 109.5° |
| H2 | C5M | H4 | 109.4° | 109.5° |
| H3 | C5M | H4 | 109.4° | 109.4° |
| H6 | C6 | H7 | 109.5° | 109.4° |
| H14 | C5' | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | C4 | C5 | C5M | 63.1° | 94.4° |
| O4 | C4 | C5 | N3 | 180.0° | 179.9° |
| O4 | C4 | C5 | C6 | 170.7° | 145.8° |
| O4 | C4 | N3 | C2 | 157.9° | 175.5° |
| O4 | C4 | C5 | H1 | 52.3° | 25.8° |
| O4 | C4 | N3 | H5 | 22.1° | 4.5° |
| C5M | C5 | C4 | C6 | 126.2° | 119.8° |
| C5M | C5 | C4 | H1 | 115.4° | 120.2° |
| C5M | C5 | C6 | H1 | 117.8° | 120.2° |
| C5M | C5 | C4 | N3 | 116.9° | 85.7° |
| C5M | C5 | C6 | N1 | 99.4° | 73.2° |
| C5 | C5M | H2 | H3 | 120.0° | 120.0° |
| C5 | C5M | H2 | H4 | 120.0° | 120.0° |
| C5 | C5M | H3 | H4 | 120.0° | 120.0° |
| C5M | C5 | C6 | H6 | 20.9° | 46.8° |
| C5M | C5 | C6 | H7 | 140.3° | 166.8° |
| C4 | C5 | C6 | H1 | 118.7° | 120.0° |
| C5 | C4 | N3 | C2 | 22.1° | 4.4° |
| C4 | C5 | C6 | N1 | 24.1° | 46.6° |
| C4 | C5 | C5M | H2 | 180.0° | 60.0° |
| C4 | C5 | C5M | H3 | 60.0° | 180.0° |
| C4 | C5 | C5M | H4 | 60.0° | 60.0° |
| C5 | C4 | N3 | H5 | 157.9° | 175.6° |
| C4 | C5 | C6 | H6 | 144.4° | 166.7° |
| C4 | C5 | C6 | H7 | 96.2° | 73.3° |
| C6 | C5 | C4 | N3 | 9.3° | 34.2° |
| C5 | C6 | N1 | H6 | 120.3° | 120.1° |
| C5 | C6 | N1 | H7 | 120.3° | 119.9° |
| C5 | C6 | N1 | C2 | 13.1° | 35.8° |
| C5 | C6 | N1 | C1' | 164.7° | 144.2° |
| C6 | C5 | C5M | H2 | 53.3° | 179.7° |
| C6 | C5 | C5M | H3 | 66.8° | 60.3° |
| C6 | C5 | C5M | H4 | 173.3° | 59.7° |
| C5 | C6 | H6 | H7 | 119.0° | 119.9° |
| C4 | N3 | C2 | H5 | 180.0° | 180.0° |
| C4 | N3 | C2 | N1 | 35.3° | 12.0° |
| C4 | N3 | C2 | O2 | 144.1° | 168.0° |
| N3 | C4 | C5 | H1 | 127.7° | 154.1° |
| N3 | C2 | N1 | C6 | 15.7° | 5.7° |
| N3 | C2 | N1 | O2 | 179.4° | 180.0° |
| N3 | C2 | N1 | C1' | 166.8° | 174.3° |
| C6 | N1 | C2 | C1' | 177.5° | 180.0° |
| C6 | N1 | C2 | O2 | 163.7° | 174.3° |
| C6 | N1 | C1' | O4' | 111.7° | 126.4° |
| C6 | N1 | C1' | C2' | 127.4° | 118.2° |
| N1 | C6 | C5 | H1 | 142.8° | 166.6° |
| N1 | C6 | H6 | H7 | 119.0° | 119.9° |
| C6 | N1 | C1' | H8 | 7.7° | 4.2° |
| C2 | N1 | C1' | O4' | 66.1° | 53.6° |
| C2 | N1 | C1' | C2' | 54.8° | 61.8° |
| N1 | C2 | N3 | H5 | 144.7° | 168.0° |
| C2 | N1 | C6 | H6 | 133.4° | 155.9° |
| C2 | N1 | C6 | H7 | 107.3° | 84.1° |
| C2 | N1 | C1' | H8 | 174.5° | 175.8° |
| O2 | C2 | N1 | C1' | 13.8° | 5.7° |
| O2 | C2 | N3 | H5 | 35.9° | 12.0° |
| N1 | C1' | O4' | C2' | 123.2° | 118.9° |
| N1 | C1' | O4' | H8 | 118.9° | 122.2° |
| N1 | C1' | C2' | H8 | 120.1° | 122.2° |
| N1 | C1' | O4' | C4' | 139.1° | 159.4° |
| N1 | C1' | C2' | O2' | 114.6° | 98.5° |
| N1 | C1' | C2' | C3' | 118.5° | 142.8° |
| C1' | N1 | C6 | H6 | 44.4° | 24.1° |
| C1' | N1 | C6 | H7 | 74.9° | 95.9° |
| N1 | C1' | C2' | H12 | 4.5° | 24.1° |
| O4' | C1' | C2' | H8 | 118.8° | 118.9° |
| O4' | C1' | C2' | O2' | 124.3° | 142.7° |
| O4' | C1' | C2' | C3' | 2.6° | 24.0° |
| C1' | O4' | C4' | C3' | 28.6° | 40.5° |
| C1' | O4' | C4' | C5' | 147.6° | 159.3° |
| C1' | O4' | C4' | H9 | 90.9° | 78.3° |
| O4' | C1' | C2' | H12 | 116.6° | 94.8° |
| C2' | C1' | O4' | C4' | 15.9° | 40.5° |
| C1' | C2' | O2' | C3' | 119.3° | 114.7° |
| C1' | C2' | O2' | H12 | 118.4° | 122.6° |
| C1' | C2' | C3' | H12 | 114.0° | 118.7° |
| C1' | C2' | C3' | C4' | 18.5° | 0.0° |
| C1' | C2' | C3' | O3' | 144.0° | 118.7° |
| C1' | C2' | C3' | H10 | 93.3° | 118.7° |
| C1' | C2' | O2' | H13 | 180.0° | 179.9° |
| O4' | C4' | C3' | C2' | 29.1° | 24.0° |
| O4' | C4' | C3' | C5' | 119.6° | 118.8° |
| O4' | C4' | C3' | H9 | 120.3° | 118.8° |
| O4' | C4' | C5' | H9 | 122.2° | 122.4° |
| O4' | C4' | C3' | O3' | 161.0° | 142.6° |
| O4' | C4' | C5' | O5' | 52.8° | 66.5° |
| C4' | O4' | C1' | H8 | 101.9° | 78.4° |
| O4' | C4' | C3' | H10 | 82.5° | 94.8° |
| O4' | C4' | C5' | H14 | 172.9° | 173.5° |
| O4' | C4' | C5' | H15 | 67.3° | 53.5° |
| O2' | C2' | C3' | H12 | 122.9° | 122.6° |
| O2' | C2' | C3' | C4' | 104.6° | 118.7° |
| O2' | C2' | C3' | O3' | 21.0° | 0.0° |
| O2' | C2' | C1' | H8 | 5.4° | 23.8° |
| O2' | C2' | C3' | H10 | 143.7° | 122.6° |
| C2' | C3' | C4' | O3' | 131.9° | 118.6° |
| C2' | C3' | C4' | H10 | 111.6° | 118.8° |
| C2' | C3' | C4' | C5' | 148.7° | 142.8° |
| C2' | C3' | O3' | H10 | 122.3° | 122.8° |
| C3' | C2' | C1' | H8 | 121.4° | 94.9° |
| C2' | C3' | C4' | H9 | 91.2° | 94.8° |
| C2' | C3' | O3' | H11 | 180.0° | 65.4° |
| C3' | C2' | O2' | H13 | 60.7° | 65.3° |
| C3' | C4' | C5' | H9 | 119.9° | 122.3° |
| C4' | C3' | O3' | H10 | 116.1° | 122.6° |
| C3' | C4' | C5' | O5' | 170.7° | 178.2° |
| C4' | C3' | O3' | H11 | 58.4° | 180.0° |
| C4' | C3' | C2' | H12 | 132.5° | 118.7° |
| C3' | C4' | C5' | H14 | 69.2° | 58.2° |
| C3' | C4' | C5' | H15 | 50.6° | 61.9° |
| C5' | C4' | C3' | O3' | 79.4° | 98.5° |
| C4' | C5' | O5' | H14 | 120.1° | 120.0° |
| C4' | C5' | O5' | H15 | 120.1° | 119.9° |
| C4' | C5' | O5' | P | 118.5° | 180.0° |
| C5' | C4' | C3' | H10 | 37.1° | 24.0° |
| C4' | C5' | H14 | H15 | 119.7° | 120.0° |
| O3' | C3' | C4' | H9 | 40.6° | 23.8° |
| O3' | C3' | C2' | H12 | 101.9° | 122.6° |
| C5' | O5' | P | O2P | 174.9° | 89.8° |
| C5' | O5' | P | O1P | 51.5° | 165.0° |
| O5' | C5' | C4' | H9 | 69.4° | 55.9° |
| O5' | C5' | H14 | H15 | 119.8° | 120.0° |
| O5' | P | O2P | O1P | 130.6° | 105.2° |
| P | O5' | C5' | H14 | 1.6° | 60.0° |
| P | O5' | C5' | H15 | 121.4° | 60.1° |
| O5' | P | O2P | H16 | 180.0° | 179.9° |
| O5' | P | O1P | H17 | 180.0° | 180.0° |
| O2P | P | O1P | H17 | 49.1° | 74.8° |
| O1P | P | O2P | H16 | 49.4° | 74.8° |
| H1 | C5 | C5M | H2 | 64.4° | 60.1° |
| H1 | C5 | C5M | H3 | 175.6° | 59.9° |
| H1 | C5 | C5M | H4 | 55.6° | 179.8° |
| H1 | C5 | C6 | H6 | 96.8° | 73.3° |
| H1 | C5 | C6 | H7 | 22.5° | 46.6° |
| H2 | C5M | H3 | H4 | 119.9° | 120.0° |
| H8 | C1' | C2' | H12 | 124.5° | 146.3° |
| H9 | C4' | C3' | H10 | 157.2° | 146.4° |
| H9 | C4' | C5' | H14 | 50.7° | 64.1° |
| H9 | C4' | C5' | H15 | 170.5° | 175.8° |
| H10 | C3' | O3' | H11 | 57.7° | 57.4° |
| H10 | C3' | C2' | H12 | 20.8° | 0.0° |
| H12 | C2' | O2' | H13 | 61.6° | 57.5° |
