9TM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | C10 | sing | 1.51Å | 1.49Å | |
| O8 | C8 | sing | 1.43Å | 1.45Å | |
| N5 | C10 | sing | 1.35Å | 1.33Å | |
| N5 | C5 | sing | 1.47Å | 1.47Å | |
| C10 | O10 | doub | 1.21Å | 1.22Å | |
| C8 | C9 | sing | 1.53Å | 1.54Å | |
| C8 | C7 | sing | 1.53Å | 1.55Å | |
| C6 | C7 | sing | 1.53Å | 1.54Å | |
| C6 | C5 | sing | 1.53Å | 1.53Å | |
| C6 | O6 | sing | 1.44Å | 1.44Å | |
| C7 | O7 | sing | 1.43Å | 1.45Å | |
| C4 | O4 | sing | 1.43Å | 1.44Å | |
| C4 | C5 | sing | 1.54Å | 1.52Å | |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| O6 | C2 | doub | 1.18Å | 1.46Å | |
| C3 | C2 | sing | 1.50Å | 1.51Å | |
| C3 | F1 | sing | 1.40Å | 1.36Å | |
| C2 | C1 | sing | 1.49Å | 1.37Å | |
| C1 | O1B | doub | 1.21Å | 1.25Å | |
| C1 | O1A | sing | 1.35Å | 1.27Å | |
| O1A | H1 | sing | 0.97Å | 0.95Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| O8 | H10 | sing | 0.97Å | 0.95Å | |
| O7 | H11 | sing | 0.97Å | 0.95Å | |
| C5 | H12 | sing | 1.09Å | 1.10Å | |
| C4 | H13 | sing | 1.09Å | 1.10Å | |
| O4 | H14 | sing | 0.97Å | 0.95Å | |
| N5 | H15 | sing | 0.97Å | 1.00Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C10 | N5 | 114.2° | 120.0° |
| C11 | C10 | O10 | 121.1° | 120.0° |
| C10 | C11 | H16 | 109.5° | 109.5° |
| C10 | C11 | H17 | 109.5° | 109.4° |
| C10 | C11 | H18 | 109.4° | 109.5° |
| O8 | C8 | C9 | 108.1° | 109.5° |
| O8 | C8 | C7 | 108.8° | 109.5° |
| O8 | C8 | H6 | 109.0° | 109.5° |
| C8 | O8 | H10 | 109.5° | 114.0° |
| C10 | N5 | C5 | 122.8° | 120.0° |
| N5 | C10 | O10 | 124.7° | 120.0° |
| C10 | N5 | H15 | 118.6° | 120.0° |
| N5 | C5 | C6 | 110.2° | 109.7° |
| N5 | C5 | C4 | 105.0° | 109.7° |
| N5 | C5 | H12 | 111.5° | 109.7° |
| C5 | N5 | H15 | 118.6° | 120.0° |
| C9 | C8 | C7 | 115.3° | 109.5° |
| C9 | C8 | H6 | 107.9° | 109.4° |
| C8 | C9 | H7 | 109.5° | 109.4° |
| C8 | C9 | H8 | 109.4° | 109.5° |
| C8 | C9 | H9 | 109.5° | 109.5° |
| C8 | C7 | C6 | 108.8° | 109.5° |
| C8 | C7 | O7 | 116.5° | 109.5° |
| C8 | C7 | H5 | 106.9° | 109.5° |
| C7 | C8 | H6 | 107.6° | 109.5° |
| C7 | C6 | C5 | 112.2° | 109.1° |
| C7 | C6 | O6 | 108.6° | 109.2° |
| C6 | C7 | O7 | 108.9° | 109.5° |
| C7 | C6 | H4 | 107.0° | 109.0° |
| C6 | C7 | H5 | 107.1° | 109.5° |
| C5 | C6 | O6 | 113.4° | 111.2° |
| C6 | C5 | C4 | 108.8° | 108.0° |
| C5 | C6 | H4 | 107.1° | 109.1° |
| C6 | C5 | H12 | 110.6° | 109.7° |
| C6 | O6 | C2 | 119.4° | 125.0° |
| O6 | C6 | H4 | 108.2° | 109.2° |
| O7 | C7 | H5 | 108.2° | 109.4° |
| C7 | O7 | H11 | 109.5° | 114.0° |
| O4 | C4 | C5 | 111.7° | 109.9° |
| O4 | C4 | C3 | 110.4° | 109.8° |
| O4 | C4 | H13 | 109.7° | 109.8° |
| C4 | O4 | H14 | 109.5° | 114.0° |
| C5 | C4 | C3 | 107.6° | 107.5° |
| C4 | C5 | H12 | 110.6° | 109.9° |
| C5 | C4 | H13 | 108.7° | 109.9° |
| C4 | C3 | C2 | 116.2° | 109.8° |
| C4 | C3 | F1 | 105.6° | 109.4° |
| C4 | C3 | H3 | 108.8° | 109.4° |
| C3 | C4 | H13 | 108.7° | 110.0° |
| O6 | C2 | C3 | 117.5° | 126.9° |
| O6 | C2 | C1 | 119.3° | 116.6° |
| C2 | C3 | F1 | 106.1° | 109.4° |
| C3 | C2 | C1 | 123.2° | 116.6° |
| C2 | C3 | H3 | 108.9° | 109.4° |
| F1 | C3 | H3 | 111.1° | 109.4° |
| C2 | C1 | O1B | 117.3° | 120.0° |
| C2 | C1 | O1A | 124.1° | 120.0° |
| O1B | C1 | O1A | 118.6° | 120.0° |
| C1 | O1A | H1 | 109.5° | 117.0° |
| H7 | C9 | H8 | 109.5° | 109.5° |
| H7 | C9 | H9 | 109.5° | 109.5° |
| H8 | C9 | H9 | 109.5° | 109.5° |
| H16 | C11 | H17 | 109.5° | 109.4° |
| H16 | C11 | H18 | 109.5° | 109.5° |
| H17 | C11 | H18 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C10 | N5 | O10 | 179.0° | 180.0° |
| C11 | C10 | N5 | C5 | 179.1° | 180.0° |
| C11 | C10 | N5 | H15 | 0.9° | 0.0° |
| C10 | C11 | H16 | H17 | 120.0° | 119.9° |
| C10 | C11 | H16 | H18 | 120.0° | 120.0° |
| C10 | C11 | H17 | H18 | 119.9° | 120.0° |
| O8 | C8 | C9 | C7 | 122.0° | 120.0° |
| O8 | C8 | C9 | H6 | 117.7° | 120.0° |
| O8 | C8 | C7 | H6 | 117.9° | 120.0° |
| O8 | C8 | C7 | C6 | 79.9° | 60.0° |
| O8 | C8 | C7 | O7 | 156.6° | 180.0° |
| O8 | C8 | C7 | H5 | 35.5° | 60.0° |
| O8 | C8 | C9 | H7 | 180.0° | 60.0° |
| O8 | C8 | C9 | H8 | 60.0° | 60.0° |
| O8 | C8 | C9 | H9 | 60.0° | 180.0° |
| C10 | N5 | C5 | H15 | 180.0° | 180.0° |
| C10 | N5 | C5 | C6 | 127.9° | 155.0° |
| C10 | N5 | C5 | C4 | 115.1° | 86.5° |
| C10 | N5 | C5 | H12 | 4.7° | 34.3° |
| N5 | C10 | C11 | H16 | 179.1° | 0.0° |
| N5 | C10 | C11 | H17 | 59.0° | 120.0° |
| N5 | C10 | C11 | H18 | 60.9° | 120.0° |
| C5 | N5 | C10 | O10 | 0.1° | 0.0° |
| N5 | C5 | C6 | C7 | 63.3° | 70.4° |
| N5 | C5 | C6 | C4 | 114.6° | 119.5° |
| N5 | C5 | C6 | H12 | 123.7° | 120.7° |
| N5 | C5 | C6 | O6 | 173.1° | 169.1° |
| N5 | C5 | C4 | O4 | 58.0° | 57.9° |
| N5 | C5 | C4 | H12 | 120.3° | 120.7° |
| N5 | C5 | C4 | C3 | 179.2° | 177.4° |
| N5 | C5 | C6 | H4 | 53.9° | 48.6° |
| N5 | C5 | C4 | H13 | 63.2° | 63.0° |
| O10 | C10 | N5 | H15 | 179.9° | 180.0° |
| O10 | C10 | C11 | H16 | 0.0° | 180.0° |
| O10 | C10 | C11 | H17 | 120.0° | 60.1° |
| O10 | C10 | C11 | H18 | 120.0° | 60.0° |
| C9 | C8 | C7 | H6 | 120.4° | 119.9° |
| C9 | C8 | C7 | C6 | 158.4° | 179.9° |
| C9 | C8 | C7 | O7 | 34.9° | 60.0° |
| C9 | C8 | C7 | H5 | 86.2° | 60.0° |
| C8 | C9 | H7 | H8 | 120.0° | 120.0° |
| C8 | C9 | H7 | H9 | 120.0° | 120.0° |
| C8 | C9 | H8 | H9 | 120.0° | 120.0° |
| C9 | C8 | O8 | H10 | 180.0° | 60.0° |
| C8 | C7 | C6 | O7 | 128.0° | 120.0° |
| C8 | C7 | C6 | H5 | 115.3° | 120.0° |
| C8 | C7 | C6 | C5 | 150.8° | 175.0° |
| C8 | C7 | C6 | O6 | 83.0° | 53.3° |
| C8 | C7 | O7 | H5 | 120.4° | 120.0° |
| C8 | C7 | C6 | H4 | 33.6° | 65.9° |
| C7 | C8 | C9 | H7 | 58.0° | 60.0° |
| C7 | C8 | C9 | H8 | 62.1° | 180.0° |
| C7 | C8 | C9 | H9 | 178.0° | 59.9° |
| C7 | C8 | O8 | H10 | 54.1° | 60.0° |
| C8 | C7 | O7 | H11 | 180.0° | 60.0° |
| C7 | C6 | C5 | O6 | 123.6° | 120.5° |
| C7 | C6 | C5 | H4 | 117.2° | 119.0° |
| C7 | C6 | O6 | H4 | 115.9° | 119.1° |
| C6 | C7 | O7 | H5 | 116.1° | 120.0° |
| C7 | C6 | C5 | C4 | 177.9° | 170.1° |
| C7 | C6 | O6 | C2 | 162.0° | 139.3° |
| C6 | C7 | C8 | H6 | 38.0° | 60.0° |
| C6 | C7 | O7 | H11 | 56.5° | 60.0° |
| C7 | C6 | C5 | H12 | 60.4° | 50.3° |
| C5 | C6 | O6 | H4 | 118.6° | 120.5° |
| C5 | C6 | C7 | O7 | 81.2° | 55.0° |
| C6 | C5 | C4 | O4 | 175.9° | 177.5° |
| C6 | C5 | C4 | H12 | 121.7° | 119.7° |
| C6 | C5 | C4 | C3 | 62.8° | 63.1° |
| C5 | C6 | O6 | C2 | 36.5° | 18.8° |
| C5 | C6 | C7 | H5 | 35.6° | 65.0° |
| C6 | C5 | C4 | H13 | 54.7° | 56.6° |
| C6 | C5 | N5 | H15 | 52.1° | 25.0° |
| O6 | C6 | C7 | O7 | 44.9° | 66.7° |
| O6 | C6 | C5 | C4 | 58.5° | 49.6° |
| C6 | O6 | C2 | C3 | 20.4° | 0.7° |
| C6 | O6 | C2 | C1 | 159.9° | 178.9° |
| O6 | C6 | C7 | H5 | 161.7° | 173.3° |
| O6 | C6 | C5 | H12 | 63.2° | 70.2° |
| O7 | C7 | C6 | H4 | 161.6° | 174.1° |
| O7 | C7 | C8 | H6 | 85.5° | 60.0° |
| O4 | C4 | C5 | C3 | 121.3° | 119.4° |
| O4 | C4 | C5 | H13 | 121.2° | 120.9° |
| O4 | C4 | C3 | H13 | 120.4° | 120.9° |
| O4 | C4 | C3 | C2 | 170.2° | 164.5° |
| O4 | C4 | C3 | F1 | 52.9° | 44.4° |
| O4 | C4 | C3 | H3 | 66.4° | 75.4° |
| O4 | C4 | C5 | H12 | 62.4° | 62.8° |
| C5 | C4 | C3 | H13 | 117.5° | 119.6° |
| C5 | C4 | C3 | C2 | 48.2° | 45.0° |
| C5 | C4 | C3 | F1 | 69.2° | 75.1° |
| C5 | C4 | C3 | H3 | 171.5° | 165.1° |
| C4 | C5 | C6 | H4 | 60.7° | 71.0° |
| C5 | C4 | O4 | H14 | 180.0° | 179.9° |
| C4 | C5 | N5 | H15 | 64.9° | 93.5° |
| C4 | C3 | C2 | O6 | 26.9° | 14.8° |
| C4 | C3 | C2 | F1 | 117.0° | 120.1° |
| C4 | C3 | C2 | H3 | 123.3° | 120.1° |
| C4 | C3 | F1 | H3 | 117.8° | 119.8° |
| C4 | C3 | C2 | C1 | 153.5° | 164.8° |
| C3 | C4 | C5 | H12 | 58.9° | 56.6° |
| C3 | C4 | O4 | H14 | 60.3° | 61.9° |
| O6 | C2 | C3 | C1 | 179.7° | 179.6° |
| O6 | C2 | C3 | F1 | 90.2° | 105.2° |
| O6 | C2 | C1 | O1B | 0.8° | 179.7° |
| O6 | C2 | C1 | O1A | 179.5° | 0.6° |
| O6 | C2 | C3 | H3 | 150.2° | 134.9° |
| C2 | O6 | C6 | H4 | 82.1° | 101.6° |
| C2 | C3 | F1 | H3 | 118.3° | 119.8° |
| C3 | C2 | C1 | O1B | 179.6° | 0.1° |
| C3 | C2 | C1 | O1A | 0.9° | 179.7° |
| C2 | C3 | C4 | H13 | 69.4° | 74.6° |
| F1 | C3 | C2 | C1 | 89.5° | 75.1° |
| F1 | C3 | C4 | H13 | 173.3° | 165.3° |
| C2 | C1 | O1B | O1A | 178.8° | 179.7° |
| C2 | C1 | O1A | H1 | 178.7° | 179.7° |
| C1 | C2 | C3 | H3 | 30.2° | 44.7° |
| O1B | C1 | O1A | H1 | 0.0° | 0.1° |
| H3 | C3 | C4 | H13 | 54.0° | 45.5° |
| H4 | C6 | C7 | H5 | 81.7° | 54.1° |
| H4 | C6 | C5 | H12 | 177.5° | 169.3° |
| H5 | C7 | C8 | H6 | 153.4° | 179.9° |
| H5 | C7 | O7 | H11 | 59.6° | 180.0° |
| H6 | C8 | C9 | H7 | 62.3° | 180.0° |
| H6 | C8 | C9 | H8 | 177.7° | 60.0° |
| H6 | C8 | C9 | H9 | 57.7° | 60.0° |
| H6 | C8 | O8 | H10 | 63.0° | 180.0° |
| H7 | C9 | H8 | H9 | 120.0° | 120.0° |
| H12 | C5 | C4 | H13 | 176.4° | 176.3° |
| H12 | C5 | N5 | H15 | 175.3° | 145.7° |
| H13 | C4 | O4 | H14 | 59.4° | 59.1° |
| H16 | C11 | H17 | H18 | 120.0° | 120.0° |
