H30
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C16 | N3 | sing | 1.47Å | 1.47Å | |
| N1 | C6 | sing | 1.37Å | 1.39Å | |
| C2 | C1 | sing | 1.53Å | 1.55Å | |
| C2 | C4 | sing | 1.54Å | 1.54Å | |
| N2 | C6 | doub | 1.30Å | 1.29Å | |
| N2 | C7 | sing | 1.37Å | 1.39Å | |
| C6 | C1 | sing | 1.50Å | 1.55Å | |
| N3 | C15 | sing | 1.47Å | 1.49Å | |
| N3 | C17 | sing | 1.47Å | 1.45Å | |
| C7 | C8 | doub | 1.40Å | 1.41Å | Aromatic |
| C7 | C5 | sing | 1.40Å | 1.38Å | Aromatic |
| C1 | C5 | sing | 1.50Å | 1.51Å | |
| C1 | C3 | sing | 1.53Å | 1.55Å | |
| C15 | C14 | sing | 1.50Å | 1.55Å | |
| C8 | C19 | sing | 1.39Å | 1.41Å | Aromatic |
| C14 | C12 | doub | 1.31Å | 1.36Å | |
| C4 | C3 | sing | 1.54Å | 1.54Å | |
| C5 | C9 | doub | 1.37Å | 1.41Å | Aromatic |
| C19 | C12 | sing | 1.48Å | 1.48Å | |
| C19 | C11 | doub | 1.40Å | 1.42Å | Aromatic |
| C12 | C13 | sing | 1.50Å | 1.49Å | |
| C9 | C11 | sing | 1.39Å | 1.44Å | Aromatic |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| C11 | O1 | sing | 1.36Å | 1.39Å | |
| C13 | C18 | sing | 1.53Å | 1.52Å | |
| O1 | C10 | sing | 1.43Å | 1.43Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N1 | H2 | sing | 0.97Å | 1.00Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C2 | H7 | sing | 1.09Å | 1.10Å | |
| C2 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| 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 | |
| C13 | H25 | sing | 1.09Å | 1.10Å | |
| C13 | H26 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | N3 | C15 | 111.8° | 111.0° |
| C16 | N3 | C17 | 110.5° | 111.0° |
| N3 | C16 | H18 | 109.5° | 109.4° |
| N3 | C16 | H19 | 109.5° | 109.4° |
| N3 | C16 | H20 | 109.5° | 109.5° |
| N1 | C6 | N2 | 125.6° | 126.4° |
| N1 | C6 | C1 | 118.8° | 126.4° |
| C6 | N1 | H1 | 120.0° | 120.1° |
| C6 | N1 | H2 | 120.0° | 120.0° |
| C1 | C2 | C4 | 89.7° | 86.8° |
| C2 | C1 | C6 | 114.4° | 116.1° |
| C2 | C1 | C5 | 120.3° | 116.2° |
| C2 | C1 | C3 | 87.2° | 88.1° |
| C1 | C2 | H7 | 114.2° | 113.7° |
| C1 | C2 | H8 | 114.2° | 113.7° |
| C2 | C4 | C3 | 87.8° | 87.3° |
| C2 | C4 | H5 | 114.6° | 113.6° |
| C2 | C4 | H6 | 114.6° | 113.7° |
| C4 | C2 | H7 | 114.2° | 113.7° |
| C4 | C2 | H8 | 114.2° | 113.7° |
| C6 | N2 | C7 | 106.9° | 113.7° |
| N2 | C6 | C1 | 115.6° | 107.1° |
| N2 | C7 | C8 | 127.0° | 131.0° |
| N2 | C7 | C5 | 111.7° | 110.0° |
| C6 | C1 | C5 | 95.9° | 104.4° |
| C6 | C1 | C3 | 117.7° | 116.1° |
| C15 | N3 | C17 | 114.7° | 109.4° |
| N3 | C15 | C14 | 111.8° | 110.8° |
| N3 | C15 | H15 | 108.9° | 109.2° |
| N3 | C15 | H16 | 108.9° | 109.2° |
| N3 | C17 | C18 | 114.0° | 109.9° |
| N3 | C17 | H21 | 108.3° | 109.4° |
| N3 | C17 | H22 | 108.4° | 109.4° |
| C8 | C7 | C5 | 121.3° | 118.9° |
| C7 | C8 | C19 | 119.4° | 120.0° |
| C7 | C8 | H9 | 120.3° | 119.9° |
| C7 | C5 | C1 | 109.8° | 104.7° |
| C7 | C5 | C9 | 120.8° | 121.0° |
| C5 | C1 | C3 | 123.3° | 116.2° |
| C1 | C5 | C9 | 129.4° | 134.2° |
| C1 | C3 | C4 | 89.3° | 86.8° |
| C1 | C3 | H3 | 114.2° | 113.6° |
| C1 | C3 | H4 | 114.3° | 113.7° |
| C15 | C14 | C12 | 128.9° | 123.5° |
| C15 | C14 | H14 | 115.6° | 118.3° |
| C14 | C15 | H15 | 108.9° | 109.2° |
| C14 | C15 | H16 | 108.9° | 109.2° |
| C8 | C19 | C12 | 117.8° | 119.9° |
| C8 | C19 | C11 | 120.1° | 120.2° |
| C19 | C8 | H9 | 120.3° | 120.0° |
| C14 | C12 | C19 | 116.0° | 117.9° |
| C14 | C12 | C13 | 123.2° | 124.1° |
| C12 | C14 | H14 | 115.5° | 118.3° |
| C4 | C3 | H3 | 114.3° | 113.7° |
| C4 | C3 | H4 | 114.3° | 113.8° |
| C3 | C4 | H5 | 114.6° | 113.6° |
| C3 | C4 | H6 | 114.6° | 113.6° |
| C5 | C9 | C11 | 118.7° | 120.1° |
| C5 | C9 | H13 | 120.7° | 119.9° |
| C12 | C19 | C11 | 122.0° | 119.9° |
| C19 | C12 | C13 | 120.5° | 118.0° |
| C19 | C11 | C9 | 119.7° | 119.7° |
| C19 | C11 | O1 | 117.0° | 120.1° |
| C12 | C13 | C18 | 115.8° | 110.6° |
| C12 | C13 | H25 | 107.8° | 109.2° |
| C12 | C13 | H26 | 107.8° | 109.2° |
| C9 | C11 | O1 | 123.2° | 120.2° |
| C11 | C9 | H13 | 120.6° | 119.9° |
| C17 | C18 | C13 | 118.1° | 108.2° |
| C18 | C17 | H21 | 108.3° | 109.4° |
| C18 | C17 | H22 | 108.3° | 109.4° |
| C17 | C18 | H23 | 107.2° | 109.7° |
| C17 | C18 | H24 | 107.2° | 109.7° |
| C11 | O1 | C10 | 117.9° | 117.0° |
| C13 | C18 | H23 | 107.3° | 109.8° |
| C13 | C18 | H24 | 107.3° | 109.7° |
| C18 | C13 | H25 | 107.9° | 109.5° |
| C18 | C13 | H26 | 107.9° | 109.2° |
| O1 | C10 | H10 | 109.5° | 109.4° |
| O1 | C10 | H11 | 109.5° | 109.5° |
| O1 | C10 | H12 | 109.4° | 109.5° |
| H1 | N1 | H2 | 120.0° | 119.9° |
| H3 | C3 | H4 | 109.4° | 112.8° |
| H5 | C4 | H6 | 109.4° | 112.8° |
| H7 | C2 | H8 | 109.5° | 112.9° |
| H10 | C10 | H11 | 109.5° | 109.5° |
| H10 | C10 | H12 | 109.5° | 109.5° |
| H11 | C10 | H12 | 109.5° | 109.5° |
| H15 | C15 | H16 | 109.5° | 109.2° |
| H18 | C16 | H19 | 109.5° | 109.4° |
| H18 | C16 | H20 | 109.5° | 109.5° |
| H19 | C16 | H20 | 109.5° | 109.5° |
| H21 | C17 | H22 | 109.5° | 109.4° |
| H23 | C18 | H24 | 109.5° | 109.7° |
| H25 | C13 | H26 | 109.5° | 109.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C16 | N3 | C15 | C17 | 126.7° | 122.8° |
| C16 | N3 | C15 | C14 | 149.8° | 143.9° |
| C16 | N3 | C17 | C18 | 166.4° | 155.8° |
| C16 | N3 | C15 | H15 | 29.5° | 95.8° |
| C16 | N3 | C15 | H16 | 89.8° | 23.6° |
| N3 | C16 | H18 | H19 | 120.0° | 119.9° |
| N3 | C16 | H18 | H20 | 120.0° | 120.0° |
| N3 | C16 | H19 | H20 | 120.0° | 120.0° |
| C16 | N3 | C17 | H21 | 45.8° | 35.8° |
| C16 | N3 | C17 | H22 | 72.9° | 84.0° |
| N1 | C6 | C1 | C2 | 53.5° | 50.7° |
| N1 | C6 | N2 | C1 | 179.5° | 179.8° |
| N1 | C6 | N2 | C7 | 179.3° | 180.0° |
| N1 | C6 | C1 | C5 | 179.4° | 179.9° |
| N1 | C6 | C1 | C3 | 46.7° | 50.8° |
| C6 | N1 | H1 | H2 | 180.0° | 179.7° |
| C1 | C2 | C4 | H7 | 116.5° | 114.5° |
| C1 | C2 | C4 | H8 | 116.5° | 114.5° |
| C2 | C1 | C6 | N2 | 126.9° | 129.1° |
| C2 | C1 | C6 | C5 | 127.1° | 129.2° |
| C2 | C1 | C6 | C3 | 100.2° | 101.5° |
| C2 | C1 | C5 | C7 | 122.7° | 129.2° |
| C2 | C1 | C5 | C3 | 108.4° | 101.6° |
| C1 | C2 | C4 | C3 | 18.5° | 24.6° |
| C2 | C1 | C5 | C9 | 56.1° | 51.1° |
| C2 | C1 | C3 | H3 | 134.7° | 139.4° |
| C2 | C1 | C3 | H4 | 98.2° | 89.8° |
| C1 | C2 | C4 | H5 | 134.6° | 90.0° |
| C1 | C2 | C4 | H6 | 97.7° | 139.2° |
| C1 | C2 | H7 | H8 | 129.4° | 131.4° |
| C4 | C2 | C1 | C6 | 137.6° | 143.1° |
| C4 | C2 | C1 | C5 | 109.1° | 93.6° |
| C2 | C4 | C3 | H5 | 116.1° | 114.6° |
| C2 | C4 | C3 | H6 | 116.2° | 114.7° |
| C2 | C4 | C3 | H3 | 134.8° | 139.1° |
| C2 | C4 | C3 | H4 | 98.1° | 89.9° |
| C2 | C4 | H5 | H6 | 130.3° | 131.2° |
| C4 | C2 | H7 | H8 | 129.4° | 131.4° |
| C6 | N2 | C7 | C8 | 179.0° | 180.0° |
| C6 | N2 | C7 | C5 | 0.1° | 0.2° |
| N2 | C6 | C1 | C5 | 0.2° | 0.1° |
| N2 | C6 | C1 | C3 | 132.9° | 129.4° |
| N2 | C6 | N1 | H1 | 0.0° | 179.7° |
| N2 | C6 | N1 | H2 | 180.0° | 0.6° |
| C7 | N2 | C6 | C1 | 0.2° | 0.2° |
| N2 | C7 | C8 | C5 | 179.1° | 179.8° |
| N2 | C7 | C5 | C1 | 0.0° | 0.1° |
| N2 | C7 | C8 | C19 | 180.0° | 179.9° |
| N2 | C7 | C5 | C9 | 178.9° | 179.9° |
| N2 | C7 | C8 | H9 | 0.1° | 0.0° |
| C6 | C1 | C5 | C7 | 0.1° | 0.0° |
| C6 | C1 | C5 | C3 | 128.9° | 129.2° |
| C6 | C1 | C3 | C4 | 134.4° | 143.2° |
| C6 | C1 | C5 | C9 | 178.9° | 179.7° |
| C1 | C6 | N1 | H1 | 179.5° | 0.1° |
| C1 | C6 | N1 | H2 | 0.5° | 179.7° |
| C6 | C1 | C3 | H3 | 109.1° | 102.3° |
| C6 | C1 | C3 | H4 | 18.0° | 28.5° |
| C6 | C1 | C2 | H7 | 21.1° | 28.6° |
| C6 | C1 | C2 | H8 | 105.9° | 102.4° |
| N3 | C15 | C14 | H15 | 120.3° | 120.3° |
| N3 | C15 | C14 | H16 | 120.3° | 120.3° |
| N3 | C15 | C14 | C12 | 43.4° | 51.5° |
| C15 | N3 | C17 | C18 | 39.0° | 33.0° |
| N3 | C15 | C14 | H14 | 136.6° | 128.6° |
| N3 | C15 | H15 | H16 | 118.9° | 119.3° |
| C15 | N3 | C16 | H18 | 180.0° | 56.1° |
| C15 | N3 | C16 | H19 | 60.0° | 176.0° |
| C15 | N3 | C16 | H20 | 60.0° | 63.9° |
| C15 | N3 | C17 | H21 | 81.7° | 87.1° |
| C15 | N3 | C17 | H22 | 159.6° | 153.1° |
| C17 | N3 | C15 | C14 | 83.4° | 93.3° |
| N3 | C17 | C18 | H21 | 120.6° | 120.1° |
| N3 | C17 | C18 | H22 | 120.7° | 120.1° |
| N3 | C17 | C18 | C13 | 47.9° | 60.6° |
| C17 | N3 | C15 | H15 | 156.2° | 27.1° |
| C17 | N3 | C15 | H16 | 36.9° | 146.4° |
| C17 | N3 | C16 | H18 | 51.0° | 178.0° |
| C17 | N3 | C16 | H19 | 69.0° | 62.1° |
| C17 | N3 | C16 | H20 | 171.0° | 58.0° |
| N3 | C17 | H21 | H22 | 118.0° | 119.8° |
| N3 | C17 | C18 | H23 | 73.3° | 59.2° |
| N3 | C17 | C18 | H24 | 169.2° | 179.8° |
| C8 | C7 | C5 | C1 | 179.2° | 179.9° |
| C7 | C8 | C19 | H9 | 180.0° | 180.0° |
| C8 | C7 | C5 | C9 | 1.9° | 0.3° |
| C7 | C8 | C19 | C12 | 175.8° | 179.9° |
| C7 | C8 | C19 | C11 | 0.2° | 0.0° |
| C7 | C5 | C1 | C9 | 178.8° | 179.7° |
| C7 | C5 | C1 | C3 | 129.0° | 129.2° |
| C5 | C7 | C8 | C19 | 0.9° | 0.1° |
| C7 | C5 | C9 | C11 | 2.1° | 0.3° |
| C5 | C7 | C8 | H9 | 179.2° | 179.9° |
| C7 | C5 | C9 | H13 | 177.9° | 179.8° |
| C5 | C1 | C3 | C4 | 106.6° | 93.6° |
| C1 | C5 | C9 | C11 | 179.2° | 180.0° |
| C5 | C1 | C3 | H3 | 9.9° | 20.9° |
| C5 | C1 | C3 | H4 | 137.0° | 151.8° |
| C5 | C1 | C2 | H7 | 134.4° | 151.9° |
| C5 | C1 | C2 | H8 | 7.4° | 20.9° |
| C1 | C5 | C9 | H13 | 0.8° | 0.1° |
| C1 | C3 | C4 | H3 | 116.4° | 114.5° |
| C1 | C3 | C4 | H4 | 116.4° | 114.5° |
| C3 | C1 | C5 | C9 | 52.2° | 50.5° |
| C1 | C3 | H3 | H4 | 129.6° | 131.3° |
| C1 | C3 | C4 | H5 | 134.5° | 90.0° |
| C1 | C3 | C4 | H6 | 97.8° | 139.3° |
| C3 | C1 | C2 | H7 | 98.2° | 89.7° |
| C3 | C1 | C2 | H8 | 134.8° | 139.3° |
| C15 | C14 | C12 | H14 | 180.0° | 179.9° |
| C15 | C14 | C12 | C19 | 177.4° | 175.8° |
| C15 | C14 | C12 | C13 | 3.6° | 4.5° |
| C14 | C15 | H15 | H16 | 119.0° | 119.4° |
| C8 | C19 | C12 | C14 | 122.4° | 105.3° |
| C8 | C19 | C12 | C11 | 175.9° | 180.0° |
| C8 | C19 | C12 | C13 | 51.5° | 75.0° |
| C8 | C19 | C11 | C9 | 0.5° | 0.0° |
| C8 | C19 | C11 | O1 | 179.7° | 180.0° |
| C14 | C12 | C19 | C13 | 174.0° | 179.8° |
| C14 | C12 | C19 | C11 | 53.5° | 74.8° |
| C14 | C12 | C13 | C18 | 26.1° | 30.2° |
| C12 | C14 | C15 | H15 | 163.7° | 68.8° |
| C12 | C14 | C15 | H16 | 77.0° | 171.7° |
| C14 | C12 | C13 | H25 | 94.8° | 90.3° |
| C14 | C12 | C13 | H26 | 147.1° | 150.4° |
| C4 | C3 | H3 | H4 | 129.6° | 131.5° |
| C3 | C4 | H5 | H6 | 130.2° | 131.1° |
| C3 | C4 | C2 | H7 | 98.0° | 89.9° |
| C3 | C4 | C2 | H8 | 135.0° | 139.2° |
| C5 | C9 | C11 | C19 | 1.5° | 0.2° |
| C5 | C9 | C11 | H13 | 180.0° | 179.9° |
| C5 | C9 | C11 | O1 | 179.4° | 179.8° |
| C12 | C19 | C11 | C9 | 175.3° | 180.0° |
| C12 | C19 | C11 | O1 | 3.8° | 0.0° |
| C19 | C12 | C13 | C18 | 160.3° | 150.1° |
| C12 | C19 | C8 | H9 | 4.1° | 0.0° |
| C19 | C12 | C14 | H14 | 2.6° | 4.2° |
| C19 | C12 | C13 | H25 | 78.7° | 89.4° |
| C19 | C12 | C13 | H26 | 39.4° | 29.9° |
| C11 | C19 | C12 | C13 | 132.5° | 105.0° |
| C19 | C11 | C9 | O1 | 179.1° | 180.0° |
| C19 | C11 | O1 | C10 | 179.7° | 180.0° |
| C11 | C19 | C8 | H9 | 179.8° | 180.0° |
| C19 | C11 | C9 | H13 | 178.5° | 180.0° |
| C12 | C13 | C18 | C17 | 76.3° | 89.4° |
| C12 | C13 | C18 | H25 | 120.9° | 120.3° |
| C12 | C13 | C18 | H26 | 120.9° | 120.2° |
| C13 | C12 | C14 | H14 | 176.4° | 175.6° |
| C12 | C13 | C18 | H23 | 44.9° | 30.3° |
| C12 | C13 | C18 | H24 | 162.5° | 151.0° |
| C12 | C13 | H25 | H26 | 117.1° | 119.3° |
| C9 | C11 | O1 | C10 | 1.2° | 0.0° |
| C17 | C18 | C13 | H23 | 121.2° | 119.7° |
| C17 | C18 | C13 | H24 | 121.2° | 119.6° |
| C18 | C17 | H21 | H22 | 117.9° | 119.8° |
| C17 | C18 | H23 | H24 | 116.0° | 120.5° |
| C17 | C18 | C13 | H25 | 44.6° | 30.9° |
| C17 | C18 | C13 | H26 | 162.7° | 150.4° |
| C11 | O1 | C10 | H10 | 180.0° | 180.0° |
| C11 | O1 | C10 | H11 | 60.0° | 60.0° |
| C11 | O1 | C10 | H12 | 60.0° | 60.1° |
| O1 | C11 | C9 | H13 | 0.6° | 0.1° |
| C13 | C18 | C17 | H21 | 168.6° | 179.3° |
| C13 | C18 | C17 | H22 | 72.7° | 59.5° |
| C13 | C18 | H23 | H24 | 116.1° | 120.7° |
| C18 | C13 | H25 | H26 | 117.1° | 119.5° |
| O1 | C10 | H10 | H11 | 120.0° | 120.0° |
| O1 | C10 | H10 | H12 | 120.0° | 120.0° |
| O1 | C10 | H11 | H12 | 120.0° | 120.0° |
| H3 | C3 | C4 | H5 | 109.0° | 24.5° |
| H3 | C3 | C4 | H6 | 18.6° | 106.2° |
| H4 | C3 | C4 | H5 | 18.1° | 155.6° |
| H4 | C3 | C4 | H6 | 145.8° | 24.8° |
| H5 | C4 | C2 | H7 | 18.1° | 155.5° |
| H5 | C4 | C2 | H8 | 108.9° | 24.6° |
| H6 | C4 | C2 | H7 | 145.8° | 24.7° |
| H6 | C4 | C2 | H8 | 18.8° | 106.2° |
| H10 | C10 | H11 | H12 | 120.0° | 120.1° |
| H14 | C14 | C15 | H15 | 16.3° | 111.1° |
| H14 | C14 | C15 | H16 | 103.0° | 8.3° |
| H18 | C16 | H19 | H20 | 120.0° | 120.1° |
| H21 | C17 | C18 | H23 | 47.3° | 60.9° |
| H21 | C17 | C18 | H24 | 70.2° | 59.7° |
| H22 | C17 | C18 | H23 | 166.0° | 179.3° |
| H22 | C17 | C18 | H24 | 48.5° | 60.1° |
| H23 | C18 | C13 | H25 | 165.8° | 150.6° |
| H23 | C18 | C13 | H26 | 76.0° | 89.9° |
| H24 | C18 | C13 | H25 | 76.6° | 88.7° |
| H24 | C18 | C13 | H26 | 41.5° | 30.8° |
