NOO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.22Å | 1.22Å | |
| C1 | C2 | sing | 1.40Å | 1.51Å | |
| C1 | C6 | sing | 1.51Å | 1.53Å | |
| C2 | C3 | doub | 1.35Å | 1.38Å | |
| C3 | C4 | sing | 1.50Å | 1.54Å | |
| C3 | N7 | sing | 1.37Å | 1.45Å | |
| C4 | C5 | sing | 1.53Å | 1.55Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| N7 | C8 | sing | 1.35Å | 1.40Å | |
| C8 | O8 | doub | 1.21Å | 1.23Å | |
| C8 | C9 | sing | 1.51Å | 1.54Å | |
| C9 | C10 | sing | 1.53Å | 1.54Å | |
| C10 | C11 | sing | 1.53Å | 1.54Å | |
| C11 | C12 | sing | 1.53Å | 1.54Å | |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| C13 | C14 | sing | 1.53Å | 1.54Å | |
| C14 | C15 | sing | 1.53Å | 1.54Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| N7 | HN7 | sing | 0.97Å | 1.00Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C15 | H15B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 121.6° | 119.7° |
| O1 | C1 | C6 | 119.8° | 119.7° |
| C2 | C1 | C6 | 118.6° | 120.6° |
| C1 | C2 | C3 | 123.3° | 121.7° |
| C1 | C2 | H2 | 118.4° | 119.2° |
| C1 | C6 | C5 | 112.4° | 108.9° |
| C1 | C6 | H6 | 108.5° | 109.6° |
| C1 | C6 | H6A | 108.5° | 109.6° |
| C2 | C3 | C4 | 118.5° | 121.2° |
| C2 | C3 | N7 | 124.9° | 119.4° |
| C3 | C2 | H2 | 118.3° | 119.2° |
| C4 | C3 | N7 | 116.6° | 119.4° |
| C3 | C4 | C5 | 114.5° | 109.5° |
| C3 | C4 | H4 | 107.9° | 109.5° |
| C3 | C4 | H4A | 107.9° | 109.4° |
| C3 | N7 | C8 | 134.3° | 120.0° |
| C3 | N7 | HN7 | 112.9° | 120.0° |
| C4 | C5 | C6 | 111.5° | 108.7° |
| C5 | C4 | H4 | 107.8° | 109.5° |
| C5 | C4 | H4A | 107.8° | 109.4° |
| C4 | C5 | H5 | 108.8° | 109.5° |
| C4 | C5 | H5A | 108.8° | 109.6° |
| C6 | C5 | H5 | 108.8° | 109.7° |
| C6 | C5 | H5A | 108.8° | 109.6° |
| C5 | C6 | H6 | 108.5° | 109.7° |
| C5 | C6 | H6A | 108.5° | 109.4° |
| N7 | C8 | O8 | 123.9° | 120.0° |
| N7 | C8 | C9 | 119.4° | 120.0° |
| C8 | N7 | HN7 | 112.9° | 120.0° |
| O8 | C8 | C9 | 116.7° | 120.0° |
| C8 | C9 | C10 | 117.8° | 109.5° |
| C8 | C9 | H9 | 106.8° | 109.4° |
| C8 | C9 | H9A | 106.8° | 109.5° |
| C9 | C10 | C11 | 112.0° | 109.5° |
| C10 | C9 | H9 | 106.8° | 109.5° |
| C10 | C9 | H9A | 106.8° | 109.4° |
| C9 | C10 | H10 | 108.7° | 109.5° |
| C9 | C10 | H10A | 108.6° | 109.4° |
| C10 | C11 | C12 | 111.7° | 109.5° |
| C11 | C10 | H10 | 108.6° | 109.5° |
| C11 | C10 | H10A | 108.7° | 109.5° |
| C10 | C11 | H11 | 108.7° | 109.5° |
| C10 | C11 | H11A | 108.7° | 109.5° |
| C11 | C12 | C13 | 112.6° | 109.5° |
| C12 | C11 | H11 | 108.7° | 109.5° |
| C12 | C11 | H11A | 108.7° | 109.4° |
| C11 | C12 | H12 | 108.4° | 109.5° |
| C11 | C12 | H12A | 108.4° | 109.4° |
| C12 | C13 | C14 | 111.8° | 109.5° |
| C13 | C12 | H12 | 108.4° | 109.5° |
| C13 | C12 | H12A | 108.4° | 109.5° |
| C12 | C13 | H13 | 108.7° | 109.5° |
| C12 | C13 | H13A | 108.7° | 109.5° |
| C13 | C14 | C15 | 112.3° | 109.5° |
| C14 | C13 | H13 | 108.7° | 109.5° |
| C14 | C13 | H13A | 108.7° | 109.4° |
| C13 | C14 | H14 | 108.5° | 109.5° |
| C13 | C14 | H14A | 108.6° | 109.4° |
| C15 | C14 | H14 | 108.5° | 109.5° |
| C15 | C14 | H14A | 108.5° | 109.5° |
| C14 | C15 | H15 | 109.5° | 109.5° |
| C14 | C15 | H15A | 109.5° | 109.5° |
| C14 | C15 | H15B | 109.5° | 109.5° |
| H4 | C4 | H4A | 111.0° | 109.5° |
| H5 | C5 | H5A | 110.2° | 109.7° |
| H6 | C6 | H6A | 110.4° | 109.7° |
| H9 | C9 | H9A | 112.0° | 109.5° |
| H10 | C10 | H10A | 110.3° | 109.5° |
| H11 | C11 | H11A | 110.2° | 109.5° |
| H12 | C12 | H12A | 110.5° | 109.5° |
| H13 | C13 | H13A | 110.2° | 109.5° |
| H14 | C14 | H14A | 110.4° | 109.5° |
| H15 | C15 | H15A | 109.5° | 109.5° |
| H15 | C15 | H15B | 109.5° | 109.5° |
| H15A | C15 | H15B | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | C6 | 179.7° | 179.7° |
| O1 | C1 | C2 | C3 | 179.5° | 179.8° |
| O1 | C1 | C6 | C5 | 154.0° | 151.1° |
| O1 | C1 | C2 | H2 | 0.4° | 0.2° |
| O1 | C1 | C6 | H6 | 85.9° | 88.9° |
| O1 | C1 | C6 | H6A | 34.0° | 31.4° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.1° | 0.2° |
| C1 | C2 | C3 | N7 | 179.3° | 179.7° |
| C2 | C1 | C6 | C5 | 25.7° | 29.2° |
| C2 | C1 | C6 | H6 | 94.3° | 90.8° |
| C2 | C1 | C6 | H6A | 145.7° | 148.9° |
| C6 | C1 | C2 | C3 | 0.2° | 0.1° |
| C1 | C6 | C5 | C4 | 49.6° | 57.0° |
| C1 | C6 | C5 | H6 | 120.0° | 119.9° |
| C1 | C6 | C5 | H6A | 120.0° | 119.7° |
| C6 | C1 | C2 | H2 | 179.8° | 179.9° |
| C1 | C6 | C5 | H5 | 70.4° | 62.8° |
| C1 | C6 | C5 | H5A | 169.6° | 176.7° |
| C1 | C6 | H6 | H6A | 118.8° | 120.3° |
| C2 | C3 | C4 | N7 | 179.4° | 179.9° |
| C2 | C3 | C4 | C5 | 25.6° | 29.7° |
| C2 | C3 | N7 | C8 | 1.4° | 122.5° |
| C2 | C3 | C4 | H4 | 145.6° | 149.8° |
| C2 | C3 | C4 | H4A | 94.4° | 90.3° |
| C2 | C3 | N7 | HN7 | 178.6° | 57.4° |
| C3 | C4 | C5 | H4 | 120.0° | 120.0° |
| C3 | C4 | C5 | H4A | 120.0° | 120.0° |
| C3 | C4 | C5 | C6 | 50.5° | 57.5° |
| C4 | C3 | N7 | C8 | 179.3° | 57.5° |
| C4 | C3 | C2 | H2 | 180.0° | 179.7° |
| C3 | C4 | H4 | H4A | 118.0° | 120.0° |
| C3 | C4 | C5 | H5 | 69.4° | 62.4° |
| C3 | C4 | C5 | H5A | 170.5° | 177.2° |
| C4 | C3 | N7 | HN7 | 0.7° | 122.5° |
| N7 | C3 | C4 | C5 | 153.8° | 150.2° |
| C3 | N7 | C8 | HN7 | 180.0° | 180.0° |
| C3 | N7 | C8 | O8 | 1.1° | 4.8° |
| C3 | N7 | C8 | C9 | 178.4° | 175.2° |
| N7 | C3 | C2 | H2 | 0.7° | 0.3° |
| N7 | C3 | C4 | H4 | 33.8° | 30.2° |
| N7 | C3 | C4 | H4A | 86.2° | 89.8° |
| C4 | C5 | C6 | H5 | 120.0° | 119.8° |
| C4 | C5 | C6 | H5A | 120.0° | 119.7° |
| C5 | C4 | H4 | H4A | 117.9° | 120.0° |
| C4 | C5 | H5 | H5A | 119.2° | 120.3° |
| C4 | C5 | C6 | H6 | 70.4° | 62.9° |
| C4 | C5 | C6 | H6A | 169.6° | 176.8° |
| C6 | C5 | C4 | H4 | 170.6° | 177.5° |
| C6 | C5 | C4 | H4A | 69.5° | 62.5° |
| C6 | C5 | H5 | H5A | 119.2° | 120.4° |
| C5 | C6 | H6 | H6A | 118.8° | 120.2° |
| N7 | C8 | O8 | C9 | 179.6° | 180.0° |
| N7 | C8 | C9 | C10 | 0.3° | 180.0° |
| N7 | C8 | C9 | H9 | 120.3° | 60.0° |
| N7 | C8 | C9 | H9A | 119.7° | 60.0° |
| O8 | C8 | C9 | C10 | 179.3° | 0.0° |
| O8 | C8 | N7 | HN7 | 178.9° | 175.3° |
| O8 | C8 | C9 | H9 | 59.3° | 120.0° |
| O8 | C8 | C9 | H9A | 60.7° | 120.0° |
| C8 | C9 | C10 | H9 | 120.0° | 120.0° |
| C8 | C9 | C10 | H9A | 120.0° | 120.0° |
| C8 | C9 | C10 | C11 | 179.3° | 180.0° |
| C9 | C8 | N7 | HN7 | 1.6° | 4.8° |
| C8 | C9 | H9 | H9A | 116.6° | 120.0° |
| C8 | C9 | C10 | H10 | 60.8° | 60.0° |
| C8 | C9 | C10 | H10A | 59.3° | 60.0° |
| C9 | C10 | C11 | H10 | 120.0° | 120.0° |
| C9 | C10 | C11 | H10A | 120.0° | 120.0° |
| C9 | C10 | C11 | C12 | 179.7° | 180.0° |
| C10 | C9 | H9 | H9A | 116.6° | 120.0° |
| C9 | C10 | H10 | H10A | 119.0° | 120.0° |
| C9 | C10 | C11 | H11 | 59.6° | 60.0° |
| C9 | C10 | C11 | H11A | 60.3° | 60.0° |
| C10 | C11 | C12 | H11 | 120.0° | 120.0° |
| C10 | C11 | C12 | H11A | 120.0° | 120.0° |
| C10 | C11 | C12 | C13 | 179.8° | 180.0° |
| C11 | C10 | C9 | H9 | 59.3° | 60.0° |
| C11 | C10 | C9 | H9A | 60.8° | 60.0° |
| C11 | C10 | H10 | H10A | 119.0° | 120.0° |
| C10 | C11 | H11 | H11A | 119.1° | 120.0° |
| C10 | C11 | C12 | H12 | 59.8° | 60.0° |
| C10 | C11 | C12 | H12A | 60.2° | 60.0° |
| C11 | C12 | C13 | H12 | 120.0° | 120.0° |
| C11 | C12 | C13 | H12A | 120.0° | 120.0° |
| C11 | C12 | C13 | C14 | 179.8° | 180.0° |
| C12 | C11 | C10 | H10 | 60.3° | 60.0° |
| C12 | C11 | C10 | H10A | 59.7° | 60.0° |
| C12 | C11 | H11 | H11A | 119.1° | 120.0° |
| C11 | C12 | H12 | H12A | 118.7° | 120.0° |
| C11 | C12 | C13 | H13 | 60.2° | 60.0° |
| C11 | C12 | C13 | H13A | 59.9° | 60.0° |
| C12 | C13 | C14 | H13 | 120.0° | 120.0° |
| C12 | C13 | C14 | H13A | 120.0° | 120.0° |
| C12 | C13 | C14 | C15 | 179.9° | 180.0° |
| C13 | C12 | C11 | H11 | 60.2° | 60.0° |
| C13 | C12 | C11 | H11A | 59.8° | 60.0° |
| C13 | C12 | H12 | H12A | 118.7° | 120.0° |
| C12 | C13 | H13 | H13A | 119.1° | 120.0° |
| C12 | C13 | C14 | H14 | 60.2° | 60.0° |
| C12 | C13 | C14 | H14A | 59.9° | 60.0° |
| C13 | C14 | C15 | H14 | 120.0° | 120.0° |
| C13 | C14 | C15 | H14A | 120.0° | 120.0° |
| C14 | C13 | C12 | H12 | 59.9° | 60.0° |
| C14 | C13 | C12 | H12A | 60.2° | 60.0° |
| C14 | C13 | H13 | H13A | 119.0° | 120.0° |
| C13 | C14 | H14 | H14A | 118.9° | 120.0° |
| C13 | C14 | C15 | H15 | 180.0° | 60.0° |
| C13 | C14 | C15 | H15A | 60.0° | 60.0° |
| C13 | C14 | C15 | H15B | 60.0° | 180.0° |
| C15 | C14 | C13 | H13 | 59.9° | 60.0° |
| C15 | C14 | C13 | H13A | 60.1° | 60.0° |
| C15 | C14 | H14 | H14A | 118.8° | 120.0° |
| C14 | C15 | H15 | H15A | 120.0° | 120.0° |
| C14 | C15 | H15 | H15B | 120.0° | 120.0° |
| C14 | C15 | H15A | H15B | 120.0° | 120.0° |
| H4 | C4 | C5 | H5 | 50.6° | 57.6° |
| H4 | C4 | C5 | H5A | 69.5° | 62.7° |
| H4A | C4 | C5 | H5 | 170.6° | 177.6° |
| H4A | C4 | C5 | H5A | 50.5° | 57.3° |
| H5 | C5 | C6 | H6 | 169.6° | 177.3° |
| H5 | C5 | C6 | H6A | 49.6° | 57.0° |
| H5A | C5 | C6 | H6 | 49.6° | 56.8° |
| H5A | C5 | C6 | H6A | 70.4° | 63.5° |
| H9 | C9 | C10 | H10 | 179.3° | 180.0° |
| H9 | C9 | C10 | H10A | 60.7° | 60.0° |
| H9A | C9 | C10 | H10 | 59.2° | 60.0° |
| H9A | C9 | C10 | H10A | 179.2° | 180.0° |
| H10 | C10 | C11 | H11 | 179.6° | 180.0° |
| H10 | C10 | C11 | H11A | 59.7° | 60.0° |
| H10A | C10 | C11 | H11 | 60.3° | 60.0° |
| H10A | C10 | C11 | H11A | 179.7° | 180.0° |
| H11 | C11 | C12 | H12 | 179.9° | 180.0° |
| H11 | C11 | C12 | H12A | 59.8° | 60.0° |
| H11A | C11 | C12 | H12 | 60.2° | 60.0° |
| H11A | C11 | C12 | H12A | 179.8° | 180.0° |
| H12 | C12 | C13 | H13 | 179.9° | 180.0° |
| H12 | C12 | C13 | H13A | 60.1° | 60.0° |
| H12A | C12 | C13 | H13 | 59.8° | 60.0° |
| H12A | C12 | C13 | H13A | 179.8° | 180.0° |
| H13 | C13 | C14 | H14 | 179.9° | 180.0° |
| H13 | C13 | C14 | H14A | 60.1° | 60.0° |
| H13A | C13 | C14 | H14 | 59.9° | 60.0° |
| H13A | C13 | C14 | H14A | 179.9° | 180.0° |
| H14 | C14 | C15 | H15 | 60.0° | 180.0° |
| H14 | C14 | C15 | H15A | 180.0° | 60.0° |
| H14 | C14 | C15 | H15B | 60.0° | 60.0° |
| H14A | C14 | C15 | H15 | 60.0° | 59.9° |
| H14A | C14 | C15 | H15A | 60.0° | 180.0° |
| H14A | C14 | C15 | H15B | 180.0° | 60.1° |
| H15 | C15 | H15A | H15B | 120.0° | 120.0° |
