N0T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O12 | C3 | sing | 1.43Å | 1.44Å | |
| C3 | C4 | sing | 1.54Å | 1.52Å | |
| C3 | C2 | sing | 1.54Å | 1.51Å | |
| C17 | C16 | sing | 1.53Å | 1.54Å | |
| C17 | C18 | sing | 1.53Å | 1.48Å | |
| C7 | C1 | sing | 1.53Å | 1.52Å | |
| C15 | C16 | sing | 1.53Å | 1.54Å | |
| C15 | N7 | sing | 1.47Å | 1.50Å | |
| C20 | C19 | sing | 1.53Å | 1.51Å | |
| C20 | C1 | sing | 1.53Å | 1.55Å | |
| C4 | N7 | sing | 1.47Å | 1.54Å | |
| C4 | C5 | sing | 1.54Å | 1.56Å | |
| C19 | C18 | sing | 1.53Å | 1.52Å | |
| C2 | O11 | sing | 1.43Å | 1.45Å | |
| C2 | C6 | sing | 1.55Å | 1.51Å | |
| C5 | C6 | sing | 1.55Å | 1.54Å | |
| C5 | C8 | sing | 1.53Å | 1.49Å | |
| C6 | O10 | sing | 1.43Å | 1.44Å | |
| C8 | O9 | sing | 1.43Å | 1.45Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C2 | H11 | sing | 1.09Å | 1.10Å | |
| C3 | H12 | sing | 1.09Å | 1.10Å | |
| N7 | H13 | sing | 1.01Å | 1.00Å | |
| O9 | H15 | sing | 0.97Å | 0.95Å | |
| O10 | H16 | sing | 0.97Å | 0.95Å | |
| O11 | H17 | sing | 0.97Å | 0.95Å | |
| O12 | H18 | sing | 0.97Å | 0.95Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C17 | H21 | sing | 1.09Å | 1.10Å | |
| C17 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C19 | H26 | sing | 1.09Å | 1.10Å | |
| C20 | H27 | sing | 1.09Å | 1.10Å | |
| C20 | H28 | sing | 1.09Å | 1.10Å | |
| C1 | H29 | sing | 1.09Å | 1.10Å | |
| C1 | H30 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O12 | C3 | C4 | 115.5° | 110.0° |
| O12 | C3 | C2 | 112.1° | 110.0° |
| O12 | C3 | H12 | 108.9° | 110.0° |
| C3 | O12 | H18 | 109.5° | 114.0° |
| C4 | C3 | C2 | 104.4° | 106.6° |
| C3 | C4 | N7 | 110.7° | 110.0° |
| C3 | C4 | C5 | 103.7° | 106.6° |
| C3 | C4 | H1 | 110.4° | 110.1° |
| C4 | C3 | H12 | 107.8° | 110.0° |
| C3 | C2 | O11 | 113.1° | 110.5° |
| C3 | C2 | C6 | 102.1° | 104.2° |
| C3 | C2 | H11 | 109.2° | 110.6° |
| C2 | C3 | H12 | 107.9° | 110.1° |
| C16 | C17 | C18 | 115.4° | 109.5° |
| C17 | C16 | C15 | 108.3° | 109.5° |
| C17 | C16 | H19 | 109.8° | 109.4° |
| C17 | C16 | H20 | 109.8° | 109.5° |
| C16 | C17 | H21 | 108.0° | 109.4° |
| C16 | C17 | H22 | 107.9° | 109.5° |
| C17 | C18 | C19 | 107.7° | 109.5° |
| C18 | C17 | H21 | 108.0° | 109.5° |
| C18 | C17 | H22 | 108.0° | 109.5° |
| C17 | C18 | H23 | 109.9° | 109.5° |
| C17 | C18 | H24 | 109.9° | 109.5° |
| C7 | C1 | C20 | 107.2° | 109.5° |
| C1 | C7 | H4 | 109.5° | 109.4° |
| C1 | C7 | H5 | 109.5° | 109.5° |
| C1 | C7 | H6 | 109.5° | 109.5° |
| C7 | C1 | H29 | 110.1° | 109.5° |
| C7 | C1 | H30 | 110.1° | 109.5° |
| C16 | C15 | N7 | 108.7° | 109.5° |
| C16 | C15 | H9 | 109.7° | 109.5° |
| C16 | C15 | H10 | 109.7° | 109.5° |
| C15 | C16 | H19 | 109.7° | 109.4° |
| C15 | C16 | H20 | 109.7° | 109.5° |
| C15 | N7 | C4 | 112.0° | 111.0° |
| N7 | C15 | H9 | 109.7° | 109.5° |
| N7 | C15 | H10 | 109.7° | 109.4° |
| C15 | N7 | H13 | 108.8° | 111.0° |
| C19 | C20 | C1 | 112.4° | 109.5° |
| C20 | C19 | C18 | 115.0° | 109.5° |
| C20 | C19 | H25 | 108.0° | 109.5° |
| C20 | C19 | H26 | 108.1° | 109.4° |
| C19 | C20 | H27 | 108.7° | 109.5° |
| C19 | C20 | H28 | 108.7° | 109.5° |
| C1 | C20 | H27 | 108.7° | 109.5° |
| C1 | C20 | H28 | 108.7° | 109.4° |
| C20 | C1 | H29 | 110.0° | 109.4° |
| C20 | C1 | H30 | 110.0° | 109.5° |
| N7 | C4 | C5 | 111.8° | 110.0° |
| N7 | C4 | H1 | 110.2° | 110.0° |
| C4 | N7 | H13 | 108.8° | 111.0° |
| C4 | C5 | C6 | 104.9° | 104.2° |
| C4 | C5 | C8 | 120.2° | 110.5° |
| C5 | C4 | H1 | 109.9° | 110.0° |
| C4 | C5 | H2 | 105.3° | 110.4° |
| C19 | C18 | H23 | 109.9° | 109.5° |
| C19 | C18 | H24 | 109.9° | 109.5° |
| C18 | C19 | H25 | 108.1° | 109.5° |
| C18 | C19 | H26 | 108.1° | 109.5° |
| O11 | C2 | C6 | 113.2° | 110.5° |
| O11 | C2 | H11 | 109.9° | 110.5° |
| C2 | O11 | H17 | 109.5° | 114.0° |
| C2 | C6 | C5 | 98.6° | 102.7° |
| C2 | C6 | O10 | 108.5° | 110.7° |
| C2 | C6 | H3 | 112.9° | 110.9° |
| C6 | C2 | H11 | 109.1° | 110.4° |
| C6 | C5 | C8 | 113.6° | 110.5° |
| C5 | C6 | O10 | 109.2° | 110.7° |
| C6 | C5 | H2 | 105.5° | 110.5° |
| C5 | C6 | H3 | 112.4° | 110.8° |
| C5 | C8 | O9 | 113.4° | 109.5° |
| C8 | C5 | H2 | 106.1° | 110.5° |
| C5 | C8 | H7 | 108.5° | 109.5° |
| C5 | C8 | H8 | 108.5° | 109.5° |
| O10 | C6 | H3 | 114.1° | 110.7° |
| C6 | O10 | H16 | 109.5° | 114.0° |
| O9 | C8 | H7 | 108.4° | 109.5° |
| O9 | C8 | H8 | 108.4° | 109.5° |
| C8 | O9 | H15 | 109.5° | 114.0° |
| H4 | C7 | H5 | 109.5° | 109.5° |
| H4 | C7 | H6 | 109.5° | 109.5° |
| H5 | C7 | H6 | 109.5° | 109.5° |
| H7 | C8 | H8 | 109.5° | 109.4° |
| H9 | C15 | H10 | 109.5° | 109.5° |
| H19 | C16 | H20 | 109.5° | 109.5° |
| H21 | C17 | H22 | 109.4° | 109.4° |
| H23 | C18 | H24 | 109.5° | 109.4° |
| H25 | C19 | H26 | 109.5° | 109.5° |
| H27 | C20 | H28 | 109.5° | 109.5° |
| H29 | C1 | H30 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O12 | C3 | C4 | C2 | 123.5° | 119.3° |
| O12 | C3 | C4 | H12 | 121.9° | 121.4° |
| O12 | C3 | C2 | H12 | 119.9° | 121.4° |
| O12 | C3 | C4 | N7 | 99.0° | 121.4° |
| O12 | C3 | C4 | C5 | 140.9° | 119.3° |
| O12 | C3 | C2 | O11 | 68.9° | 98.5° |
| O12 | C3 | C2 | C6 | 169.1° | 142.9° |
| O12 | C3 | C4 | H1 | 23.2° | 0.0° |
| O12 | C3 | C2 | H11 | 53.7° | 24.2° |
| C4 | C3 | C2 | H12 | 114.5° | 119.3° |
| C3 | C4 | N7 | C15 | 158.7° | 87.8° |
| C3 | C4 | N7 | C5 | 115.1° | 117.1° |
| C3 | C4 | N7 | H1 | 122.3° | 121.5° |
| C3 | C4 | C5 | H1 | 118.0° | 119.4° |
| C4 | C3 | C2 | O11 | 165.4° | 142.3° |
| C4 | C3 | C2 | C6 | 43.4° | 23.6° |
| C3 | C4 | C5 | C6 | 14.0° | 23.6° |
| C3 | C4 | C5 | C8 | 143.4° | 142.3° |
| C3 | C4 | C5 | H2 | 97.1° | 95.1° |
| C4 | C3 | C2 | H11 | 71.9° | 95.1° |
| C3 | C4 | N7 | H13 | 38.3° | 36.1° |
| C4 | C3 | O12 | H18 | 180.0° | 180.0° |
| C2 | C3 | C4 | N7 | 137.5° | 119.3° |
| C2 | C3 | C4 | C5 | 17.4° | 0.1° |
| C3 | C2 | O11 | C6 | 115.5° | 114.8° |
| C3 | C2 | O11 | H11 | 122.3° | 122.8° |
| C3 | C2 | C6 | H11 | 115.4° | 118.8° |
| C3 | C2 | C6 | C5 | 50.8° | 37.9° |
| C3 | C2 | C6 | O10 | 62.9° | 80.4° |
| C2 | C3 | C4 | H1 | 100.3° | 119.3° |
| C3 | C2 | C6 | H3 | 169.6° | 156.3° |
| C3 | C2 | O11 | H17 | 180.0° | 65.3° |
| C2 | C3 | O12 | H18 | 60.6° | 62.8° |
| C16 | C17 | C18 | H21 | 120.9° | 120.0° |
| C16 | C17 | C18 | H22 | 120.9° | 120.1° |
| C17 | C16 | C15 | H19 | 119.8° | 119.9° |
| C17 | C16 | C15 | H20 | 119.8° | 120.1° |
| C17 | C16 | C15 | N7 | 175.2° | 179.9° |
| C16 | C17 | C18 | C19 | 159.6° | 180.0° |
| C17 | C16 | C15 | H9 | 64.9° | 60.0° |
| C17 | C16 | C15 | H10 | 55.3° | 60.0° |
| C17 | C16 | H19 | H20 | 120.5° | 120.0° |
| C16 | C17 | H21 | H22 | 117.3° | 120.0° |
| C16 | C17 | C18 | H23 | 80.6° | 60.0° |
| C16 | C17 | C18 | H24 | 39.9° | 59.9° |
| C18 | C17 | C16 | C15 | 126.6° | NaN° |
| C17 | C18 | C19 | C20 | 79.3° | 180.0° |
| C17 | C18 | C19 | H23 | 119.7° | 120.0° |
| C17 | C18 | C19 | H24 | 119.7° | 120.1° |
| C18 | C17 | C16 | H19 | 113.6° | 60.1° |
| C18 | C17 | C16 | H20 | 6.8° | 59.9° |
| C18 | C17 | H21 | H22 | 117.3° | 120.0° |
| C17 | C18 | H23 | H24 | 120.8° | 120.0° |
| C17 | C18 | C19 | H25 | 41.5° | 60.1° |
| C17 | C18 | C19 | H26 | 159.9° | 60.0° |
| C7 | C1 | C20 | C19 | 177.2° | 180.0° |
| C7 | C1 | C20 | H29 | 119.7° | 120.0° |
| C7 | C1 | C20 | H30 | 119.7° | 120.0° |
| C1 | C7 | H4 | H5 | 120.0° | 120.0° |
| C1 | C7 | H4 | H6 | 120.0° | 120.0° |
| C1 | C7 | H5 | H6 | 120.0° | 120.0° |
| C7 | C1 | C20 | H27 | 56.8° | 60.0° |
| C7 | C1 | C20 | H28 | 62.3° | 60.0° |
| C7 | C1 | H29 | H30 | 121.1° | 120.0° |
| C16 | C15 | N7 | H9 | 119.9° | 120.0° |
| C16 | C15 | N7 | H10 | 119.9° | 120.0° |
| C16 | C15 | N7 | C4 | 176.1° | 180.0° |
| C16 | C15 | H9 | H10 | 120.4° | 120.0° |
| C16 | C15 | N7 | H13 | 55.7° | 56.0° |
| C15 | C16 | H19 | H20 | 120.5° | 120.0° |
| C15 | C16 | C17 | H21 | 112.5° | 60.0° |
| C15 | C16 | C17 | H22 | 5.7° | 59.9° |
| C15 | N7 | C4 | H13 | 120.4° | 124.0° |
| C15 | N7 | C4 | C5 | 86.2° | 155.0° |
| C15 | N7 | C4 | H1 | 36.3° | 33.7° |
| N7 | C15 | H9 | H10 | 120.4° | 119.9° |
| N7 | C15 | C16 | H19 | 55.4° | 60.0° |
| N7 | C15 | C16 | H20 | 64.9° | 60.0° |
| C19 | C20 | C1 | H27 | 120.4° | 120.0° |
| C19 | C20 | C1 | H28 | 120.4° | 120.0° |
| C20 | C19 | C18 | H25 | 120.8° | 120.0° |
| C20 | C19 | C18 | H26 | 120.8° | 119.9° |
| C20 | C19 | C18 | H23 | 40.4° | 60.0° |
| C20 | C19 | C18 | H24 | 161.0° | 60.0° |
| C20 | C19 | H25 | H26 | 117.5° | 119.9° |
| C19 | C20 | H27 | H28 | 118.6° | 120.0° |
| C19 | C20 | C1 | H29 | 57.6° | 60.0° |
| C19 | C20 | C1 | H30 | 63.1° | 60.0° |
| C1 | C20 | C19 | C18 | 147.4° | 180.0° |
| C20 | C1 | C7 | H4 | 180.0° | 60.0° |
| C20 | C1 | C7 | H5 | 60.0° | 180.0° |
| C20 | C1 | C7 | H6 | 60.0° | 60.0° |
| C1 | C20 | C19 | H25 | 91.8° | 60.0° |
| C1 | C20 | C19 | H26 | 26.6° | 60.0° |
| C1 | C20 | H27 | H28 | 118.7° | 120.0° |
| C20 | C1 | H29 | H30 | 121.0° | 120.0° |
| N7 | C4 | C5 | H1 | 122.7° | 121.4° |
| N7 | C4 | C5 | C6 | 105.3° | 95.7° |
| N7 | C4 | C5 | C8 | 24.1° | 23.0° |
| N7 | C4 | C5 | H2 | 143.6° | 145.6° |
| C4 | N7 | C15 | H9 | 64.0° | 60.0° |
| C4 | N7 | C15 | H10 | 56.2° | 60.0° |
| N7 | C4 | C3 | H12 | 22.9° | 0.0° |
| C4 | C5 | C6 | C2 | 39.6° | 37.9° |
| C4 | C5 | C6 | C8 | 133.2° | 118.7° |
| C4 | C5 | C6 | H2 | 111.0° | 118.6° |
| C4 | C5 | C8 | H2 | 119.1° | 122.5° |
| C4 | C5 | C6 | O10 | 73.6° | 80.4° |
| C4 | C5 | C8 | O9 | 175.9° | 175.0° |
| C4 | C5 | C6 | H3 | 158.8° | 156.4° |
| C4 | C5 | C8 | H7 | 63.5° | 65.0° |
| C4 | C5 | C8 | H8 | 55.4° | 55.0° |
| C5 | C4 | C3 | H12 | 97.2° | 119.3° |
| C5 | C4 | N7 | H13 | 153.4° | 81.0° |
| C19 | C18 | C17 | H21 | 38.7° | 60.0° |
| C19 | C18 | C17 | H22 | 79.5° | 60.0° |
| C19 | C18 | H23 | H24 | 120.8° | 120.0° |
| C18 | C19 | H25 | H26 | 117.5° | 120.1° |
| C18 | C19 | C20 | H27 | 92.2° | 60.0° |
| C18 | C19 | C20 | H28 | 26.9° | 60.0° |
| O11 | C2 | C6 | H11 | 122.7° | 122.5° |
| O11 | C2 | C6 | C5 | 172.6° | 156.6° |
| O11 | C2 | C6 | O10 | 58.9° | 38.3° |
| O11 | C2 | C6 | H3 | 68.6° | 85.0° |
| O11 | C2 | C3 | H12 | 50.9° | 23.0° |
| C2 | C6 | C5 | O10 | 113.1° | 118.3° |
| C2 | C6 | C5 | H3 | 119.2° | 118.5° |
| C2 | C6 | C5 | C8 | 172.8° | 156.6° |
| C2 | C6 | O10 | H3 | 126.8° | 123.4° |
| C2 | C6 | C5 | H2 | 71.4° | 80.7° |
| C6 | C2 | C3 | H12 | 71.0° | 95.7° |
| C2 | C6 | O10 | H16 | 180.0° | 66.7° |
| C6 | C2 | O11 | H17 | 64.5° | 180.0° |
| C6 | C5 | C8 | H2 | 115.5° | 122.6° |
| C5 | C6 | O10 | H3 | 126.7° | 123.3° |
| C6 | C5 | C8 | O9 | 58.6° | 70.2° |
| C6 | C5 | C4 | H1 | 132.1° | 142.9° |
| C6 | C5 | C8 | H7 | 61.9° | 49.8° |
| C6 | C5 | C8 | H8 | 179.2° | 169.8° |
| C5 | C6 | C2 | H11 | 64.7° | 80.9° |
| C5 | C6 | O10 | H16 | 73.5° | 180.0° |
| C8 | C5 | C6 | O10 | 59.6° | 38.3° |
| C5 | C8 | O9 | H7 | 120.6° | 120.0° |
| C5 | C8 | O9 | H8 | 120.6° | 120.1° |
| C8 | C5 | C4 | H1 | 98.5° | 98.3° |
| C8 | C5 | C6 | H3 | 68.0° | 84.9° |
| C5 | C8 | H7 | H8 | 118.2° | 120.0° |
| C5 | C8 | O9 | H15 | 180.0° | 180.0° |
| O10 | C6 | C5 | H2 | 175.4° | 161.0° |
| O10 | C6 | C2 | H11 | 178.3° | 160.8° |
| O9 | C8 | C5 | H2 | 56.9° | 52.5° |
| O9 | C8 | H7 | H8 | 118.2° | 120.0° |
| H1 | C4 | C5 | H2 | 20.9° | 24.3° |
| H1 | C4 | C3 | H12 | 145.2° | 121.4° |
| H1 | C4 | N7 | H13 | 84.0° | 157.6° |
| H2 | C5 | C6 | H3 | 47.8° | 37.8° |
| H2 | C5 | C8 | H7 | 177.4° | 172.5° |
| H2 | C5 | C8 | H8 | 63.7° | 67.6° |
| H3 | C6 | C2 | H11 | 54.2° | 37.5° |
| H3 | C6 | O10 | H16 | 53.2° | 56.8° |
| H4 | C7 | H5 | H6 | 120.0° | 120.1° |
| H4 | C7 | C1 | H29 | 60.4° | 180.0° |
| H4 | C7 | C1 | H30 | 60.4° | 60.0° |
| H5 | C7 | C1 | H29 | 59.7° | 60.0° |
| H5 | C7 | C1 | H30 | 179.6° | 60.0° |
| H6 | C7 | C1 | H29 | 179.6° | 60.0° |
| H6 | C7 | C1 | H30 | 59.6° | 180.0° |
| H7 | C8 | O9 | H15 | 59.4° | 60.0° |
| H8 | C8 | O9 | H15 | 59.5° | 59.9° |
| H9 | C15 | N7 | H13 | 175.6° | 64.0° |
| H9 | C15 | C16 | H19 | 175.3° | 180.0° |
| H9 | C15 | C16 | H20 | 55.0° | 60.0° |
| H10 | C15 | N7 | H13 | 64.2° | 176.0° |
| H10 | C15 | C16 | H19 | 64.5° | 60.0° |
| H10 | C15 | C16 | H20 | 175.2° | 180.0° |
| H11 | C2 | C3 | H12 | 173.6° | 145.6° |
| H11 | C2 | O11 | H17 | 57.8° | 57.5° |
| H12 | C3 | O12 | H18 | 58.7° | 58.6° |
| H19 | C16 | C17 | H21 | 7.3° | 180.0° |
| H19 | C16 | C17 | H22 | 125.5° | 60.0° |
| H20 | C16 | C17 | H21 | 127.7° | 60.0° |
| H20 | C16 | C17 | H22 | 114.1° | 180.0° |
| H21 | C17 | C18 | H23 | 158.5° | 180.0° |
| H21 | C17 | C18 | H24 | 81.0° | 60.0° |
| H22 | C17 | C18 | H23 | 40.2° | 60.0° |
| H22 | C17 | C18 | H24 | 160.8° | 180.0° |
| H23 | C18 | C19 | H25 | 161.2° | 179.9° |
| H23 | C18 | C19 | H26 | 80.4° | 59.9° |
| H24 | C18 | C19 | H25 | 78.2° | 60.0° |
| H24 | C18 | C19 | H26 | 40.2° | 179.9° |
| H25 | C19 | C20 | H27 | 28.6° | 180.0° |
| H25 | C19 | C20 | H28 | 147.7° | 60.0° |
| H26 | C19 | C20 | H27 | 147.0° | 60.0° |
| H26 | C19 | C20 | H28 | 93.9° | 180.0° |
| H27 | C20 | C1 | H29 | 62.9° | 60.0° |
| H27 | C20 | C1 | H30 | 176.5° | 180.0° |
| H28 | C20 | C1 | H29 | 178.0° | 180.0° |
| H28 | C20 | C1 | H30 | 57.3° | 60.0° |
