MM7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.38Å | 1.23Å | Aromatic |
| O1 | C8 | sing | 1.43Å | 1.28Å | |
| O1 | C6 | sing | 1.36Å | 1.22Å | |
| C2 | C3 | doub | 1.38Å | 1.23Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | C3 | sing | 1.38Å | 1.24Å | Aromatic |
| C5 | C4 | doub | 1.38Å | 1.22Å | Aromatic |
| C6 | C1 | doub | 1.39Å | 1.25Å | Aromatic |
| C6 | C5 | sing | 1.39Å | 1.23Å | Aromatic |
| C7 | C4 | sing | 1.51Å | 1.32Å | |
| C7 | H17 | sing | 1.09Å | 1.10Å | |
| C7 | H37 | sing | 1.09Å | 1.10Å | |
| C8 | H38 | sing | 1.09Å | 1.10Å | |
| C8 | H28 | sing | 1.09Å | 1.10Å | |
| C1' | C1 | sing | 1.51Å | 1.32Å | |
| C1' | O4' | sing | 1.44Å | 1.36Å | |
| OP2 | P | sing | 1.61Å | 1.28Å | |
| OP2 | HOP2 | sing | 0.97Å | 0.95Å | |
| C2' | C1' | sing | 1.54Å | 1.43Å | |
| C2' | H12' | sing | 1.09Å | 1.10Å | |
| C2' | C3' | sing | 1.55Å | 1.36Å | |
| OP3 | P | sing | 1.61Å | 1.31Å | |
| OP3 | HOP3 | sing | 0.97Å | 0.95Å | |
| C3' | C4' | sing | 1.54Å | 1.53Å | |
| O3' | C3' | sing | 1.43Å | 1.26Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C4' | O4' | sing | 1.44Å | 1.23Å | |
| C4' | C5' | sing | 1.53Å | 1.37Å | |
| C5' | H15' | sing | 1.09Å | 1.10Å | |
| O5' | P | sing | 1.61Å | 1.42Å | |
| O5' | C5' | sing | 1.43Å | 1.25Å | |
| H5 | C5 | sing | 1.08Å | 1.08Å | |
| H27 | C7 | sing | 1.09Å | 1.10Å | |
| H18 | C8 | sing | 1.09Å | 1.10Å | |
| H1' | C1' | sing | 1.09Å | 1.10Å | |
| H22' | C2' | sing | 1.09Å | 1.10Å | |
| H3' | C3' | sing | 1.09Å | 1.10Å | |
| H25' | C5' | sing | 1.09Å | 1.10Å | |
| P | OP1 | doub | 1.48Å | 1.47Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 119.6° | 120.0° |
| C1 | C2 | H2 | 120.2° | 119.9° |
| C2 | C1 | C6 | 119.8° | 119.9° |
| C2 | C1 | C1' | 118.1° | 120.1° |
| C8 | O1 | C6 | 115.7° | 117.0° |
| O1 | C8 | H38 | 109.5° | 109.4° |
| O1 | C8 | H28 | 109.4° | 109.5° |
| O1 | C8 | H18 | 109.5° | 109.4° |
| O1 | C6 | C1 | 122.2° | 120.0° |
| O1 | C6 | C5 | 117.2° | 120.1° |
| C3 | C2 | H2 | 120.2° | 120.0° |
| C2 | C3 | H3 | 120.0° | 119.9° |
| C2 | C3 | C4 | 120.1° | 120.2° |
| H3 | C3 | C4 | 119.9° | 119.9° |
| C3 | C4 | C5 | 120.4° | 120.1° |
| C3 | C4 | C7 | 120.6° | 120.0° |
| C4 | C5 | C6 | 119.3° | 119.9° |
| C5 | C4 | C7 | 118.8° | 119.9° |
| C4 | C5 | H5 | 120.4° | 120.1° |
| C1 | C6 | C5 | 120.5° | 119.9° |
| C6 | C1 | C1' | 121.6° | 120.0° |
| C6 | C5 | H5 | 120.3° | 120.0° |
| C4 | C7 | H17 | 109.5° | 109.4° |
| C4 | C7 | H37 | 109.5° | 109.4° |
| C4 | C7 | H27 | 109.4° | 109.5° |
| H17 | C7 | H37 | 109.5° | 109.5° |
| H17 | C7 | H27 | 109.5° | 109.4° |
| H37 | C7 | H27 | 109.5° | 109.5° |
| H38 | C8 | H28 | 109.5° | 109.5° |
| H38 | C8 | H18 | 109.4° | 109.5° |
| H28 | C8 | H18 | 109.5° | 109.5° |
| C1 | C1' | O4' | 110.1° | 110.4° |
| C1 | C1' | C2' | 109.5° | 110.4° |
| C1 | C1' | H1' | 110.0° | 110.3° |
| O4' | C1' | C2' | 112.2° | 104.8° |
| C1' | O4' | C4' | 103.8° | 105.3° |
| O4' | C1' | H1' | 107.2° | 110.4° |
| P | OP2 | HOP2 | 109.5° | 114.0° |
| OP2 | P | OP3 | 117.7° | 109.5° |
| OP2 | P | O5' | 108.3° | 109.5° |
| OP2 | P | OP1 | 65.9° | 109.5° |
| C1' | C2' | H12' | 113.8° | 110.5° |
| C1' | C2' | C3' | 97.3° | 104.1° |
| C2' | C1' | H1' | 107.8° | 110.5° |
| C1' | C2' | H22' | 113.8° | 110.5° |
| H12' | C2' | C3' | 113.8° | 110.5° |
| H12' | C2' | H22' | 104.8° | 110.4° |
| C2' | C3' | C4' | 106.7° | 104.0° |
| C2' | C3' | O3' | 110.4° | 110.5° |
| C3' | C2' | H22' | 113.8° | 110.7° |
| C2' | C3' | H3' | 111.9° | 110.5° |
| P | OP3 | HOP3 | 109.5° | 114.0° |
| OP3 | P | O5' | 104.4° | 109.5° |
| OP3 | P | OP1 | 56.1° | 109.5° |
| C4' | C3' | O3' | 112.8° | 110.6° |
| C3' | C4' | H4' | 103.9° | 110.4° |
| C3' | C4' | O4' | 108.4° | 104.8° |
| C3' | C4' | C5' | 118.1° | 110.4° |
| C4' | C3' | H3' | 109.4° | 110.5° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
| O3' | C3' | H3' | 105.7° | 110.6° |
| H4' | C4' | O4' | 114.2° | 110.3° |
| H4' | C4' | C5' | 103.6° | 110.4° |
| O4' | C4' | C5' | 108.7° | 110.5° |
| C4' | C5' | H15' | 109.7° | 109.5° |
| C4' | C5' | O5' | 108.7° | 109.4° |
| C4' | C5' | H25' | 109.7° | 109.4° |
| H15' | C5' | O5' | 109.7° | 109.5° |
| H15' | C5' | H25' | 109.2° | 109.5° |
| P | O5' | C5' | 117.1° | 123.0° |
| O5' | P | OP1 | 142.8° | 109.5° |
| O5' | C5' | H25' | 109.8° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | O1 | 174.5° | 180.0° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | H3 | 178.1° | 180.0° |
| C1 | C2 | C3 | C4 | 1.9° | 0.0° |
| C2 | C1 | C6 | C1' | 172.4° | 179.8° |
| C2 | C1 | C6 | C5 | 2.0° | 0.0° |
| C2 | C1 | C1' | O4' | 47.7° | 23.5° |
| C2 | C1 | C1' | C2' | 76.0° | 91.8° |
| C2 | C1 | C1' | H1' | 165.7° | 145.8° |
| C8 | O1 | C6 | C1 | 104.2° | 180.0° |
| C8 | O1 | C6 | C5 | 79.2° | 0.1° |
| O1 | C8 | H38 | H28 | 120.0° | 119.9° |
| O1 | C8 | H38 | H18 | 120.0° | 120.0° |
| O1 | C8 | H28 | H18 | 120.0° | 120.0° |
| O1 | C6 | C5 | C4 | 172.0° | 180.0° |
| O1 | C6 | C1 | C5 | 176.5° | 180.0° |
| C6 | O1 | C8 | H38 | 180.0° | 180.0° |
| C6 | O1 | C8 | H28 | 60.0° | 60.0° |
| O1 | C6 | C1 | C1' | 2.1° | 0.3° |
| O1 | C6 | C5 | H5 | 8.0° | 0.0° |
| C6 | O1 | C8 | H18 | 60.0° | 60.0° |
| C2 | C3 | H3 | C4 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 0.7° | 0.0° |
| C3 | C2 | C1 | C6 | 1.3° | 0.0° |
| C2 | C3 | C4 | C7 | 175.6° | 179.9° |
| C3 | C2 | C1 | C1' | 171.4° | 179.7° |
| H2 | C2 | C3 | H3 | 1.9° | 0.1° |
| H2 | C2 | C3 | C4 | 178.1° | 180.0° |
| H2 | C2 | C1 | C6 | 178.7° | 180.0° |
| H2 | C2 | C1 | C1' | 8.6° | 0.2° |
| H3 | C3 | C4 | C5 | 179.3° | 179.9° |
| H3 | C3 | C4 | C7 | 4.3° | 0.0° |
| C3 | C4 | C5 | C7 | 176.5° | 179.9° |
| C3 | C4 | C5 | C6 | 4.0° | 0.0° |
| C3 | C4 | C7 | H17 | 88.2° | 90.0° |
| C3 | C4 | C7 | H37 | 151.8° | 29.9° |
| C3 | C4 | C5 | H5 | 176.0° | 180.0° |
| C3 | C4 | C7 | H27 | 31.8° | 150.0° |
| C4 | C5 | C6 | C1 | 4.6° | 0.0° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C5 | C4 | C7 | H17 | 88.3° | 90.0° |
| C5 | C4 | C7 | H37 | 31.7° | 150.0° |
| C5 | C4 | C7 | H27 | 151.7° | 29.9° |
| C6 | C1 | C1' | O4' | 139.8° | 156.7° |
| C6 | C1 | C1' | C2' | 96.5° | 87.9° |
| C1 | C6 | C5 | H5 | 175.4° | 180.0° |
| C6 | C1 | C1' | H1' | 21.8° | 34.5° |
| C6 | C5 | C4 | C7 | 172.5° | 180.0° |
| C5 | C6 | C1 | C1' | 174.4° | 179.8° |
| C4 | C7 | H17 | H37 | 120.0° | 120.0° |
| C4 | C7 | H17 | H27 | 120.0° | 120.0° |
| C4 | C7 | H37 | H27 | 120.0° | 120.1° |
| C7 | C4 | C5 | H5 | 7.6° | 0.0° |
| H17 | C7 | H37 | H27 | 120.0° | 120.0° |
| H38 | C8 | H28 | H18 | 120.0° | 120.1° |
| C1 | C1' | O4' | C2' | 122.2° | 118.8° |
| C1 | C1' | O4' | H1' | 119.6° | 122.2° |
| C1 | C1' | C2' | H1' | 119.7° | 122.3° |
| C1 | C1' | C2' | H12' | 83.9° | 98.5° |
| C1 | C1' | C2' | C3' | 156.1° | 142.8° |
| C1 | C1' | O4' | C4' | 157.3° | 159.3° |
| C1 | C1' | C2' | H22' | 36.1° | 23.9° |
| O4' | C1' | C2' | H1' | 117.8° | 118.9° |
| O4' | C1' | C2' | H12' | 153.6° | 142.7° |
| O4' | C1' | C2' | C3' | 33.6° | 24.0° |
| C1' | O4' | C4' | C3' | 19.6° | 40.5° |
| C1' | O4' | C4' | H4' | 95.8° | 78.3° |
| C1' | O4' | C4' | C5' | 149.2° | 159.4° |
| O4' | C1' | C2' | H22' | 86.4° | 94.9° |
| OP2 | P | OP3 | O5' | 120.1° | 120.0° |
| OP2 | P | OP3 | OP1 | 24.8° | 120.0° |
| OP2 | P | OP3 | HOP3 | 24.8° | 60.0° |
| OP2 | P | O5' | OP1 | 74.1° | 120.0° |
| OP2 | P | O5' | C5' | 59.2° | 175.0° |
| HOP2 | OP2 | P | OP3 | 22.4° | 60.0° |
| HOP2 | OP2 | P | O5' | 140.4° | 180.0° |
| HOP2 | OP2 | P | OP1 | 0.0° | 60.0° |
| C1' | C2' | H12' | C3' | 110.2° | 114.7° |
| C1' | C2' | H12' | H22' | 124.9° | 122.6° |
| C1' | C2' | C3' | H22' | 120.0° | 118.8° |
| C1' | C2' | C3' | C4' | 19.0° | 0.0° |
| C1' | C2' | C3' | O3' | 103.9° | 118.6° |
| C2' | C1' | O4' | C4' | 35.1° | 40.5° |
| C1' | C2' | C3' | H3' | 138.7° | 118.6° |
| H12' | C2' | C3' | H22' | 120.0° | 122.6° |
| H12' | C2' | C3' | C4' | 139.0° | 118.7° |
| H12' | C2' | C3' | O3' | 16.1° | 0.0° |
| H12' | C2' | C1' | H1' | 35.8° | 23.8° |
| H12' | C2' | C3' | H3' | 101.3° | 122.7° |
| C2' | C3' | C4' | O3' | 121.4° | 118.6° |
| C2' | C3' | C4' | H3' | 121.3° | 118.6° |
| C2' | C3' | O3' | H3' | 121.2° | 122.6° |
| C2' | C3' | O3' | HO3' | 180.0° | 61.5° |
| C2' | C3' | C4' | H4' | 122.5° | 94.8° |
| C2' | C3' | C4' | O4' | 0.6° | 23.9° |
| C2' | C3' | C4' | C5' | 123.5° | 142.9° |
| C3' | C2' | C1' | H1' | 84.2° | 94.9° |
| OP3 | P | O5' | OP1 | 52.1° | 120.0° |
| OP3 | P | O5' | C5' | 174.6° | 65.0° |
| HOP3 | OP3 | P | O5' | 144.9° | 60.0° |
| HOP3 | OP3 | P | OP1 | 0.0° | 180.0° |
| C4' | C3' | O3' | H3' | 119.5° | 122.7° |
| C4' | C3' | O3' | HO3' | 60.7° | 176.1° |
| C3' | C4' | H4' | O4' | 117.9° | 115.4° |
| C3' | C4' | H4' | C5' | 124.0° | 122.3° |
| C3' | C4' | O4' | C5' | 129.6° | 118.9° |
| C3' | C4' | C5' | H15' | 172.6° | 55.0° |
| C3' | C4' | C5' | O5' | 52.6° | 175.0° |
| C4' | C3' | C2' | H22' | 101.0° | 118.7° |
| C3' | C4' | C5' | H25' | 67.4° | 65.1° |
| O3' | C3' | C4' | H4' | 1.1° | 23.8° |
| O3' | C3' | C4' | O4' | 120.8° | 142.6° |
| O3' | C3' | C4' | C5' | 115.1° | 98.4° |
| O3' | C3' | C2' | H22' | 136.1° | 122.6° |
| HO3' | O3' | C3' | H3' | 58.8° | 61.2° |
| H4' | C4' | O4' | C5' | 115.1° | 122.3° |
| H4' | C4' | C5' | H15' | 73.2° | 67.3° |
| H4' | C4' | C5' | O5' | 166.8° | 52.7° |
| H4' | C4' | C3' | H3' | 116.3° | 146.6° |
| H4' | C4' | C5' | H25' | 46.8° | 172.7° |
| O4' | C4' | C5' | H15' | 48.6° | 170.5° |
| O4' | C4' | C5' | O5' | 71.4° | 69.5° |
| C4' | O4' | C1' | H1' | 83.1° | 78.5° |
| O4' | C4' | C3' | H3' | 121.9° | 94.7° |
| O4' | C4' | C5' | H25' | 168.6° | 50.4° |
| C4' | C5' | H15' | O5' | 119.4° | 120.0° |
| C4' | C5' | H15' | H25' | 120.3° | 120.0° |
| C4' | C5' | O5' | P | 179.7° | 180.0° |
| C4' | C5' | O5' | H25' | 120.0° | 119.9° |
| C5' | C4' | C3' | H3' | 2.3° | 24.3° |
| H15' | C5' | O5' | P | 59.7° | 60.0° |
| H15' | C5' | O5' | H25' | 120.0° | 120.0° |
| P | O5' | C5' | H25' | 60.3° | 60.0° |
| C5' | O5' | P | OP1 | 133.2° | 55.0° |
| H1' | C1' | C2' | H22' | 155.8° | 146.3° |
| H22' | C2' | C3' | H3' | 18.7° | 0.1° |
