17U
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | C13 | sing | 1.53Å | 1.53Å | |
| N3 | C11 | sing | 1.47Å | 1.45Å | |
| C23 | C17 | sing | 1.51Å | 1.50Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C11 | C16 | sing | 1.53Å | 1.54Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C17 | C18 | doub | 1.31Å | 1.32Å | |
| C17 | C16 | sing | 1.51Å | 1.52Å | |
| C16 | O6 | sing | 1.43Å | 1.44Å | |
| N3 | H12 | sing | 1.01Å | 1.00Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| O6 | H15 | sing | 0.97Å | 0.95Å | |
| C23 | H16 | sing | 1.09Å | 1.10Å | |
| C23 | H17 | sing | 1.09Å | 1.10Å | |
| C23 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.08Å | 1.08Å | |
| C18 | H20 | sing | 1.08Å | 1.08Å | |
| C12 | H21 | sing | 1.09Å | 1.10Å | |
| C12 | H22 | sing | 1.09Å | 1.10Å | |
| C13 | H23 | sing | 1.09Å | 1.10Å | |
| C15 | H24 | sing | 1.09Å | 1.10Å | |
| C15 | H25 | sing | 1.09Å | 1.10Å | |
| C15 | H26 | sing | 1.09Å | 1.10Å | |
| C14 | H27 | sing | 1.09Å | 1.10Å | |
| C14 | H28 | sing | 1.09Å | 1.10Å | |
| C14 | H29 | sing | 1.09Å | 1.10Å | |
| N3 | H2 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | C13 | C14 | 109.8° | 109.5° |
| C15 | C13 | C12 | 115.0° | 109.5° |
| C15 | C13 | H23 | 107.3° | 109.5° |
| C13 | C15 | H24 | 109.5° | 109.5° |
| C13 | C15 | H25 | 109.5° | 109.5° |
| C13 | C15 | H26 | 109.5° | 109.4° |
| N3 | C11 | C12 | 108.3° | 109.5° |
| N3 | C11 | C16 | 110.9° | 109.5° |
| C11 | N3 | H12 | 109.5° | 111.0° |
| N3 | C11 | H13 | 109.1° | 109.5° |
| C11 | N3 | H2 | 109.5° | 111.0° |
| C23 | C17 | C18 | 118.2° | 120.0° |
| C23 | C17 | C16 | 121.0° | 120.0° |
| C17 | C23 | H16 | 109.5° | 109.5° |
| C17 | C23 | H17 | 109.5° | 109.5° |
| C17 | C23 | H18 | 109.5° | 109.4° |
| C12 | C11 | C16 | 112.4° | 109.5° |
| C11 | C12 | C13 | 116.6° | 109.5° |
| C12 | C11 | H13 | 108.1° | 109.5° |
| C11 | C12 | H21 | 107.7° | 109.5° |
| C11 | C12 | H22 | 107.7° | 109.5° |
| C11 | C16 | C17 | 110.6° | 109.5° |
| C11 | C16 | O6 | 108.5° | 109.5° |
| C16 | C11 | H13 | 108.0° | 109.4° |
| C11 | C16 | H14 | 109.1° | 109.4° |
| C14 | C13 | C12 | 109.7° | 109.4° |
| C14 | C13 | H23 | 107.3° | 109.5° |
| C13 | C14 | H27 | 109.5° | 109.5° |
| C13 | C14 | H28 | 109.5° | 109.5° |
| C13 | C14 | H29 | 109.5° | 109.5° |
| C13 | C12 | H21 | 107.7° | 109.4° |
| C13 | C12 | H22 | 107.7° | 109.5° |
| C12 | C13 | H23 | 107.3° | 109.4° |
| C18 | C17 | C16 | 120.9° | 120.0° |
| C17 | C18 | H19 | 120.0° | 120.0° |
| C17 | C18 | H20 | 120.0° | 120.0° |
| C17 | C16 | O6 | 109.0° | 109.5° |
| C17 | C16 | H14 | 109.2° | 109.4° |
| O6 | C16 | H14 | 110.4° | 109.5° |
| C16 | O6 | H15 | 109.5° | 114.0° |
| H12 | N3 | H2 | 109.4° | 111.0° |
| H16 | C23 | H17 | 109.5° | 109.5° |
| H16 | C23 | H18 | 109.4° | 109.5° |
| H17 | C23 | H18 | 109.5° | 109.5° |
| H19 | C18 | H20 | 120.0° | 120.0° |
| H21 | C12 | H22 | 109.5° | 109.5° |
| H24 | C15 | H25 | 109.5° | 109.5° |
| H24 | C15 | H26 | 109.4° | 109.5° |
| H25 | C15 | H26 | 109.5° | 109.4° |
| H27 | C14 | H28 | 109.5° | 109.4° |
| H27 | C14 | H29 | 109.5° | 109.5° |
| H28 | C14 | H29 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | C13 | C12 | C11 | 30.4° | 175.2° |
| C15 | C13 | C14 | C12 | 127.4° | 120.0° |
| C15 | C13 | C14 | H23 | 116.4° | 120.1° |
| C15 | C13 | C12 | H23 | 119.3° | 120.0° |
| C15 | C13 | C12 | H21 | 90.6° | 55.2° |
| C15 | C13 | C12 | H22 | 151.5° | 64.8° |
| C13 | C15 | H24 | H25 | 120.0° | 120.0° |
| C13 | C15 | H24 | H26 | 120.0° | 120.0° |
| C13 | C15 | H25 | H26 | 120.0° | 119.9° |
| C15 | C13 | C14 | H27 | 180.0° | 180.0° |
| C15 | C13 | C14 | H28 | 60.0° | 60.0° |
| C15 | C13 | C14 | H29 | 60.0° | 60.0° |
| N3 | C11 | C12 | C16 | 122.9° | 120.0° |
| N3 | C11 | C12 | H13 | 118.0° | 120.0° |
| N3 | C11 | C16 | H13 | 119.5° | 120.0° |
| N3 | C11 | C12 | C13 | 101.8° | 62.9° |
| N3 | C11 | C16 | C17 | 54.4° | 177.5° |
| N3 | C11 | C16 | O6 | 65.1° | 57.5° |
| C11 | N3 | H12 | H2 | 120.0° | 123.9° |
| N3 | C11 | C16 | H14 | 174.6° | 62.5° |
| N3 | C11 | C12 | H21 | 19.3° | 57.1° |
| N3 | C11 | C12 | H22 | 137.2° | 177.1° |
| C23 | C17 | C16 | C11 | 59.2° | 66.6° |
| C23 | C17 | C18 | C16 | 179.6° | 179.9° |
| C23 | C17 | C16 | O6 | 178.4° | 53.4° |
| C23 | C17 | C16 | H14 | 60.9° | 173.5° |
| C17 | C23 | H16 | H17 | 120.0° | 120.0° |
| C17 | C23 | H16 | H18 | 120.0° | 120.0° |
| C17 | C23 | H17 | H18 | 120.0° | 119.9° |
| C23 | C17 | C18 | H19 | 179.6° | 180.0° |
| C23 | C17 | C18 | H20 | 0.4° | 0.1° |
| C12 | C11 | C16 | H13 | 119.2° | 119.9° |
| C11 | C12 | C13 | C14 | 154.8° | 64.8° |
| C11 | C12 | C13 | H21 | 121.0° | 120.0° |
| C11 | C12 | C13 | H22 | 121.0° | 120.1° |
| C12 | C11 | C16 | C17 | 175.8° | 62.4° |
| C12 | C11 | C16 | O6 | 56.3° | 177.5° |
| C12 | C11 | N3 | H12 | 180.0° | 174.1° |
| C12 | C11 | C16 | H14 | 64.0° | 57.5° |
| C11 | C12 | H21 | H22 | 116.8° | 120.0° |
| C11 | C12 | C13 | H23 | 88.8° | 55.2° |
| C12 | C11 | N3 | H2 | 60.0° | 61.9° |
| C16 | C11 | C12 | C13 | 135.4° | 177.1° |
| C11 | C16 | C17 | C18 | 121.2° | 113.5° |
| C11 | C16 | C17 | O6 | 119.2° | 120.0° |
| C11 | C16 | C17 | H14 | 120.1° | 119.9° |
| C11 | C16 | O6 | H14 | 119.5° | 120.0° |
| C16 | C11 | N3 | H12 | 56.2° | 65.9° |
| C11 | C16 | O6 | H15 | 180.0° | 60.0° |
| C16 | C11 | C12 | H21 | 103.6° | 63.0° |
| C16 | C11 | C12 | H22 | 14.3° | 57.0° |
| C16 | C11 | N3 | H2 | 63.8° | 58.1° |
| C14 | C13 | C12 | H23 | 116.3° | 120.0° |
| C14 | C13 | C12 | H21 | 33.8° | 175.2° |
| C14 | C13 | C12 | H22 | 84.1° | 55.2° |
| C14 | C13 | C15 | H24 | 180.0° | 64.8° |
| C14 | C13 | C15 | H25 | 60.0° | 175.2° |
| C14 | C13 | C15 | H26 | 60.0° | 55.3° |
| C13 | C14 | H27 | H28 | 120.0° | 120.0° |
| C13 | C14 | H27 | H29 | 120.0° | 120.1° |
| C13 | C14 | H28 | H29 | 120.0° | 120.0° |
| C13 | C12 | C11 | H13 | 16.3° | 57.1° |
| C13 | C12 | H21 | H22 | 116.8° | 120.0° |
| C12 | C13 | C15 | H24 | 55.6° | 175.3° |
| C12 | C13 | C15 | H25 | 64.4° | 55.2° |
| C12 | C13 | C15 | H26 | 175.6° | 64.7° |
| C12 | C13 | C14 | H27 | 52.6° | 60.0° |
| C12 | C13 | C14 | H28 | 172.6° | 180.0° |
| C12 | C13 | C14 | H29 | 67.4° | 60.1° |
| C18 | C17 | C16 | O6 | 2.0° | 126.5° |
| C18 | C17 | C16 | H14 | 118.7° | 6.5° |
| C18 | C17 | C23 | H16 | 180.0° | 94.8° |
| C18 | C17 | C23 | H17 | 60.0° | 145.1° |
| C18 | C17 | C23 | H18 | 60.0° | 25.2° |
| C17 | C18 | H19 | H20 | 180.0° | 180.0° |
| C17 | C16 | O6 | H14 | 120.0° | 120.0° |
| C17 | C16 | C11 | H13 | 65.1° | 57.5° |
| C17 | C16 | O6 | H15 | 59.4° | 60.0° |
| C16 | C17 | C23 | H16 | 0.4° | 85.1° |
| C16 | C17 | C23 | H17 | 119.6° | 35.0° |
| C16 | C17 | C23 | H18 | 120.4° | 154.9° |
| C16 | C17 | C18 | H19 | 0.0° | 0.1° |
| C16 | C17 | C18 | H20 | 180.0° | 180.0° |
| O6 | C16 | C11 | H13 | 175.4° | 62.5° |
| H12 | N3 | C11 | H13 | 62.6° | 54.1° |
| H13 | C11 | C16 | H14 | 55.1° | 177.5° |
| H13 | C11 | C12 | H21 | 137.3° | 177.1° |
| H13 | C11 | C12 | H22 | 104.8° | 62.9° |
| H13 | C11 | N3 | H2 | 177.4° | 178.0° |
| H14 | C16 | O6 | H15 | 60.5° | 180.0° |
| H16 | C23 | H17 | H18 | 120.0° | 120.0° |
| H21 | C12 | C13 | H23 | 150.1° | 64.8° |
| H22 | C12 | C13 | H23 | 32.2° | 175.2° |
| H23 | C13 | C15 | H24 | 63.6° | 55.3° |
| H23 | C13 | C15 | H25 | 176.4° | 64.7° |
| H23 | C13 | C15 | H26 | 56.4° | 175.3° |
| H23 | C13 | C14 | H27 | 63.6° | 59.9° |
| H23 | C13 | C14 | H28 | 56.4° | 60.0° |
| H23 | C13 | C14 | H29 | 176.4° | 180.0° |
| H24 | C15 | H25 | H26 | 120.0° | 120.1° |
| H27 | C14 | H28 | H29 | 120.0° | 120.0° |
