9T7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1A | C1 | doub | 1.21Å | 1.27Å | |
| C11 | C10 | sing | 1.51Å | 1.50Å | |
| O1B | C1 | sing | 1.34Å | 1.26Å | |
| C1 | C2 | sing | 1.51Å | 1.52Å | |
| N5 | C10 | sing | 1.35Å | 1.35Å | |
| N5 | C5 | sing | 1.47Å | 1.47Å | |
| C4 | O4 | sing | 1.43Å | 1.43Å | |
| C4 | C3 | sing | 1.53Å | 1.55Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C10 | O10 | doub | 1.21Å | 1.22Å | |
| C3 | C2 | sing | 1.53Å | 1.56Å | |
| C3 | FAI | sing | 1.40Å | 1.39Å | |
| C5 | C6 | sing | 1.53Å | 1.55Å | |
| C6 | O6 | sing | 1.43Å | 1.44Å | |
| C6 | C7 | sing | 1.53Å | 1.54Å | |
| C2 | O6 | sing | 1.43Å | 1.44Å | |
| C2 | FAJ | sing | 1.40Å | 1.33Å | |
| O8 | C8 | sing | 1.43Å | 1.44Å | |
| C7 | C8 | sing | 1.53Å | 1.54Å | |
| C7 | O7 | sing | 1.43Å | 1.43Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| O1B | HO1B | sing | 0.97Å | 0.95Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| O8 | HO8 | sing | 0.97Å | 0.95Å | |
| O7 | HO7 | sing | 0.97Å | 0.95Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| N5 | HN5 | sing | 0.97Å | 1.00Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H113 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1A | C1 | O1B | 126.2° | 120.0° |
| O1A | C1 | C2 | 118.8° | 120.0° |
| C11 | C10 | N5 | 114.7° | 120.0° |
| C11 | C10 | O10 | 119.4° | 120.0° |
| C10 | C11 | H111 | 109.5° | 109.4° |
| C10 | C11 | H113 | 109.5° | 109.4° |
| C10 | C11 | H112 | 109.5° | 109.4° |
| O1B | C1 | C2 | 114.9° | 120.0° |
| C1 | O1B | HO1B | 109.5° | 117.0° |
| C1 | C2 | C3 | 114.4° | 109.5° |
| C1 | C2 | O6 | 108.3° | 109.5° |
| C1 | C2 | FAJ | 104.9° | 109.5° |
| C10 | N5 | C5 | 125.3° | 120.0° |
| N5 | C10 | O10 | 125.9° | 120.0° |
| C10 | N5 | HN5 | 117.3° | 120.0° |
| N5 | C5 | C4 | 103.5° | 109.5° |
| N5 | C5 | C6 | 112.4° | 109.5° |
| N5 | C5 | H5 | 110.5° | 109.6° |
| C5 | N5 | HN5 | 117.3° | 120.0° |
| O4 | C4 | C3 | 109.7° | 109.5° |
| O4 | C4 | C5 | 105.7° | 109.6° |
| O4 | C4 | H4 | 110.1° | 109.5° |
| C4 | O4 | HO4 | 109.5° | 114.1° |
| C3 | C4 | C5 | 113.7° | 109.0° |
| C4 | C3 | C2 | 114.9° | 109.2° |
| C4 | C3 | FAI | 109.5° | 109.5° |
| C4 | C3 | H32 | 106.6° | 109.6° |
| C3 | C4 | H4 | 108.5° | 109.5° |
| C4 | C5 | C6 | 110.9° | 109.2° |
| C5 | C4 | H4 | 108.9° | 109.7° |
| C4 | C5 | H5 | 109.9° | 109.6° |
| C2 | C3 | FAI | 110.6° | 109.5° |
| C3 | C2 | O6 | 113.7° | 109.4° |
| C3 | C2 | FAJ | 108.4° | 109.5° |
| C2 | C3 | H32 | 106.4° | 109.6° |
| FAI | C3 | H32 | 108.5° | 109.5° |
| C5 | C6 | O6 | 111.3° | 109.4° |
| C5 | C6 | C7 | 113.7° | 109.5° |
| C5 | C6 | H6 | 108.0° | 109.5° |
| C6 | C5 | H5 | 109.5° | 109.5° |
| O6 | C6 | C7 | 106.1° | 109.5° |
| C6 | O6 | C2 | 119.7° | 114.1° |
| O6 | C6 | H6 | 109.5° | 109.5° |
| C6 | C7 | C8 | 114.2° | 109.5° |
| C6 | C7 | O7 | 108.6° | 109.4° |
| C7 | C6 | H6 | 108.2° | 109.5° |
| C6 | C7 | H7 | 108.1° | 109.4° |
| O6 | C2 | FAJ | 106.6° | 109.5° |
| O8 | C8 | C7 | 109.7° | 109.5° |
| O8 | C8 | C9 | 111.4° | 109.5° |
| O8 | C8 | H8 | 108.4° | 109.4° |
| C8 | O8 | HO8 | 109.5° | 113.9° |
| C8 | C7 | O7 | 108.4° | 109.5° |
| C7 | C8 | C9 | 112.8° | 109.5° |
| C8 | C7 | H7 | 108.1° | 109.5° |
| C7 | C8 | H8 | 107.1° | 109.5° |
| O7 | C7 | H7 | 109.5° | 109.5° |
| C7 | O7 | HO7 | 109.5° | 114.0° |
| C9 | C8 | H8 | 107.3° | 109.5° |
| C8 | C9 | H92 | 109.5° | 109.5° |
| C8 | C9 | H91 | 109.5° | 109.5° |
| C8 | C9 | H10 | 109.4° | 109.5° |
| H92 | C9 | H91 | 109.5° | 109.4° |
| H92 | C9 | H10 | 109.5° | 109.5° |
| H91 | C9 | H10 | 109.5° | 109.5° |
| H111 | C11 | H113 | 109.4° | 109.4° |
| H111 | C11 | H112 | 109.5° | 109.5° |
| H113 | C11 | H112 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1A | C1 | O1B | C2 | 177.5° | 180.0° |
| O1A | C1 | C2 | C3 | 40.4° | 136.3° |
| O1A | C1 | C2 | O6 | 168.3° | 16.4° |
| O1A | C1 | C2 | FAJ | 78.2° | 103.6° |
| O1A | C1 | O1B | HO1B | 0.0° | 0.0° |
| C11 | C10 | N5 | O10 | 179.9° | 180.0° |
| C11 | C10 | N5 | C5 | 178.8° | 180.0° |
| C11 | C10 | N5 | HN5 | 1.3° | 0.0° |
| C10 | C11 | H111 | H113 | 120.0° | 119.9° |
| C10 | C11 | H111 | H112 | 120.0° | 120.0° |
| C10 | C11 | H113 | H112 | 120.0° | 120.0° |
| O1B | C1 | C2 | C3 | 141.8° | 43.6° |
| O1B | C1 | C2 | O6 | 14.0° | 163.6° |
| O1B | C1 | C2 | FAJ | 99.5° | 76.4° |
| C1 | C2 | C3 | C4 | 91.2° | 62.4° |
| C1 | C2 | C3 | O6 | 125.0° | 120.0° |
| C1 | C2 | C3 | FAJ | 116.6° | 120.0° |
| C1 | C2 | C3 | FAI | 144.3° | 177.7° |
| C1 | C2 | O6 | C6 | 86.2° | 58.9° |
| C1 | C2 | O6 | FAJ | 112.4° | 120.0° |
| C2 | C1 | O1B | HO1B | 177.5° | 180.0° |
| C1 | C2 | C3 | H32 | 26.6° | 57.6° |
| C10 | N5 | C5 | HN5 | 180.0° | 180.0° |
| C10 | N5 | C5 | C4 | 102.5° | 85.0° |
| C10 | N5 | C5 | C6 | 137.7° | 155.3° |
| C10 | N5 | C5 | H5 | 15.1° | 35.2° |
| N5 | C10 | C11 | H111 | 179.9° | 90.1° |
| N5 | C10 | C11 | H113 | 59.9° | 150.0° |
| N5 | C10 | C11 | H112 | 60.1° | 30.0° |
| N5 | C5 | C4 | O4 | 68.9° | 63.3° |
| N5 | C5 | C4 | C3 | 170.6° | 176.9° |
| N5 | C5 | C4 | C6 | 120.7° | 119.9° |
| N5 | C5 | C4 | H5 | 118.1° | 120.2° |
| C5 | N5 | C10 | O10 | 1.1° | 0.0° |
| N5 | C5 | C6 | H5 | 123.2° | 120.2° |
| N5 | C5 | C6 | O6 | 170.2° | 177.5° |
| N5 | C5 | C6 | C7 | 70.0° | 62.5° |
| N5 | C5 | C4 | H4 | 49.4° | 57.0° |
| N5 | C5 | C6 | H6 | 50.1° | 57.5° |
| O4 | C4 | C3 | C5 | 118.2° | 119.9° |
| O4 | C4 | C3 | H4 | 120.4° | 120.1° |
| O4 | C4 | C5 | H4 | 118.3° | 120.3° |
| O4 | C4 | C3 | C2 | 158.2° | 176.9° |
| O4 | C4 | C3 | FAI | 33.1° | 57.0° |
| O4 | C4 | C5 | C6 | 170.4° | 176.8° |
| O4 | C4 | C3 | H32 | 84.1° | 63.1° |
| O4 | C4 | C5 | H5 | 49.2° | 56.9° |
| C3 | C4 | C5 | H4 | 121.2° | 119.9° |
| C4 | C3 | C2 | FAI | 124.6° | 119.9° |
| C4 | C3 | C2 | H32 | 117.8° | 120.0° |
| C4 | C3 | FAI | H32 | 116.1° | 120.2° |
| C3 | C4 | C5 | C6 | 49.9° | 57.0° |
| C4 | C3 | C2 | O6 | 33.9° | 57.6° |
| C4 | C3 | C2 | FAJ | 152.2° | 177.6° |
| C3 | C4 | O4 | HO4 | 180.0° | 60.0° |
| C3 | C4 | C5 | H5 | 71.3° | 63.0° |
| C5 | C4 | C3 | C2 | 40.0° | 57.0° |
| C5 | C4 | C3 | FAI | 85.1° | 62.9° |
| C4 | C5 | C6 | H5 | 121.5° | 120.0° |
| C4 | C5 | C6 | O6 | 54.9° | 57.7° |
| C4 | C5 | C6 | C7 | 174.7° | 177.6° |
| C5 | C4 | C3 | H32 | 157.7° | 177.0° |
| C5 | C4 | O4 | HO4 | 56.9° | 179.5° |
| C4 | C5 | C6 | H6 | 65.3° | 62.3° |
| C4 | C5 | N5 | HN5 | 77.5° | 95.0° |
| O10 | C10 | N5 | HN5 | 178.9° | 180.0° |
| O10 | C10 | C11 | H111 | 0.0° | 90.0° |
| O10 | C10 | C11 | H113 | 120.0° | 29.9° |
| O10 | C10 | C11 | H112 | 120.0° | 150.0° |
| C2 | C3 | FAI | H32 | 116.4° | 120.2° |
| C3 | C2 | O6 | C6 | 42.1° | 61.2° |
| C3 | C2 | O6 | FAJ | 119.4° | 120.0° |
| C2 | C3 | C4 | H4 | 81.4° | 63.0° |
| FAI | C3 | C2 | O6 | 90.7° | 62.3° |
| FAI | C3 | C2 | FAJ | 27.6° | 57.7° |
| FAI | C3 | C4 | H4 | 153.5° | 177.1° |
| C5 | C6 | O6 | C7 | 124.2° | 120.0° |
| C5 | C6 | O6 | H6 | 119.3° | 120.0° |
| C5 | C6 | C7 | H6 | 120.0° | 120.1° |
| C5 | C6 | O6 | C2 | 53.0° | 61.2° |
| C5 | C6 | C7 | C8 | 142.5° | 174.9° |
| C5 | C6 | C7 | O7 | 21.4° | 54.9° |
| C6 | C5 | C4 | H4 | 71.3° | 62.9° |
| C5 | C6 | C7 | H7 | 97.3° | 65.0° |
| C6 | C5 | N5 | HN5 | 42.2° | 24.7° |
| O6 | C6 | C7 | H6 | 117.4° | 120.0° |
| C6 | O6 | C2 | FAJ | 161.5° | 178.9° |
| O6 | C6 | C7 | C8 | 19.8° | 55.0° |
| O6 | C6 | C7 | O7 | 101.2° | 65.0° |
| O6 | C6 | C7 | H7 | 140.1° | 175.0° |
| O6 | C6 | C5 | H5 | 66.6° | 62.3° |
| C7 | C6 | O6 | C2 | 177.2° | 178.8° |
| C6 | C7 | C8 | O8 | 48.1° | 60.0° |
| C6 | C7 | C8 | O7 | 121.2° | 120.0° |
| C6 | C7 | C8 | H7 | 120.3° | 120.0° |
| C6 | C7 | O7 | H7 | 117.8° | 120.0° |
| C6 | C7 | C8 | C9 | 172.9° | 180.0° |
| C6 | C7 | C8 | H8 | 69.3° | 60.0° |
| C6 | C7 | O7 | HO7 | 180.0° | 60.0° |
| C7 | C6 | C5 | H5 | 53.2° | 57.6° |
| O6 | C2 | C3 | H32 | 151.6° | 177.6° |
| C2 | O6 | C6 | H6 | 66.3° | 58.9° |
| FAJ | C2 | C3 | H32 | 90.0° | 62.4° |
| O8 | C8 | C7 | C9 | 124.7° | 120.0° |
| O8 | C8 | C7 | H8 | 117.4° | 120.0° |
| O8 | C8 | C7 | O7 | 169.3° | 179.9° |
| O8 | C8 | C9 | H8 | 118.5° | 120.0° |
| O8 | C8 | C7 | H7 | 72.1° | 60.0° |
| O8 | C8 | C9 | H92 | 180.0° | 60.0° |
| O8 | C8 | C9 | H91 | 60.0° | 60.0° |
| O8 | C8 | C9 | H10 | 60.0° | 180.0° |
| C8 | C7 | O7 | H7 | 117.6° | 120.1° |
| C7 | C8 | C9 | H8 | 117.7° | 120.0° |
| C8 | C7 | C6 | H6 | 97.6° | 65.0° |
| C7 | C8 | C9 | H92 | 56.2° | 60.0° |
| C7 | C8 | C9 | H91 | 63.8° | 180.0° |
| C7 | C8 | C9 | H10 | 176.2° | 60.0° |
| C7 | C8 | O8 | HO8 | 180.0° | 60.0° |
| C8 | C7 | O7 | HO7 | 55.4° | 59.9° |
| O7 | C7 | C8 | C9 | 65.9° | 60.0° |
| O7 | C7 | C6 | H6 | 141.4° | 175.0° |
| O7 | C7 | C8 | H8 | 51.9° | 60.0° |
| C9 | C8 | C7 | H7 | 52.6° | 60.0° |
| C8 | C9 | H92 | H91 | 120.0° | 120.0° |
| C8 | C9 | H92 | H10 | 120.0° | 120.1° |
| C8 | C9 | H91 | H10 | 120.0° | 120.0° |
| C9 | C8 | O8 | HO8 | 54.5° | 60.0° |
| H32 | C3 | C4 | H4 | 36.2° | 57.0° |
| H4 | C4 | O4 | HO4 | 60.6° | 60.1° |
| H4 | C4 | C5 | H5 | 167.5° | 177.1° |
| H6 | C6 | C7 | H7 | 22.7° | 55.0° |
| H6 | C6 | C5 | H5 | 173.2° | 177.7° |
| H7 | C7 | C8 | H8 | 170.4° | 180.0° |
| H7 | C7 | O7 | HO7 | 62.2° | 180.0° |
| H8 | C8 | C9 | H92 | 61.5° | 180.0° |
| H8 | C8 | C9 | H91 | 178.5° | 60.0° |
| H8 | C8 | C9 | H10 | 58.5° | 60.0° |
| H8 | C8 | O8 | HO8 | 63.3° | 180.0° |
| H92 | C9 | H91 | H10 | 120.0° | 120.0° |
| H5 | C5 | N5 | HN5 | 164.9° | 144.8° |
| H111 | C11 | H113 | H112 | 120.0° | 120.1° |
