3KO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C18 | sing | 1.54Å | 1.51Å | |
| C14 | N6 | sing | 1.47Å | 1.45Å | |
| C18 | C16 | sing | 1.55Å | 1.52Å | |
| C13 | C20 | sing | 1.53Å | 1.53Å | |
| C13 | C7 | sing | 1.51Å | 1.50Å | |
| N6 | C7 | sing | 1.35Å | 1.39Å | |
| N6 | C10 | sing | 1.47Å | 1.43Å | |
| C16 | C9 | sing | 1.53Å | 1.53Å | |
| C16 | C10 | sing | 1.55Å | 1.51Å | |
| C20 | C22 | sing | 1.55Å | 1.51Å | |
| C20 | C23 | sing | 1.55Å | 1.51Å | |
| C7 | O15 | doub | 1.21Å | 1.23Å | |
| C9 | C4 | sing | 1.53Å | 1.54Å | |
| C22 | C29 | sing | 1.54Å | 1.51Å | |
| C23 | C28 | sing | 1.54Å | 1.51Å | |
| C29 | C28 | sing | 1.54Å | 1.51Å | |
| C12 | C4 | sing | 1.53Å | 1.53Å | |
| C12 | C19 | sing | 1.53Å | 1.53Å | |
| C4 | N5 | sing | 1.47Å | 1.46Å | |
| C4 | C3 | sing | 1.51Å | 1.51Å | |
| C27 | C24 | sing | 1.53Å | 1.53Å | |
| C27 | C30 | sing | 1.53Å | 1.53Å | |
| C24 | C21 | sing | 1.53Å | 1.53Å | |
| O11 | C3 | doub | 1.21Å | 1.22Å | |
| N5 | C2 | sing | 1.37Å | 1.37Å | |
| C3 | N1 | sing | 1.35Å | 1.38Å | |
| C21 | C19 | sing | 1.53Å | 1.52Å | |
| C21 | C25 | sing | 1.53Å | 1.52Å | |
| C30 | C26 | sing | 1.53Å | 1.53Å | |
| C2 | N1 | sing | 1.37Å | 1.38Å | |
| C2 | N8 | doub | 1.30Å | 1.30Å | |
| N1 | C17 | sing | 1.46Å | 1.46Å | |
| C26 | C25 | sing | 1.53Å | 1.52Å | |
| C9 | H1 | sing | 1.09Å | 1.10Å | |
| C9 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C27 | H9 | sing | 1.09Å | 1.10Å | |
| C27 | H10 | sing | 1.09Å | 1.10Å | |
| C28 | H11 | sing | 1.09Å | 1.10Å | |
| C28 | H12 | sing | 1.09Å | 1.10Å | |
| C29 | H13 | sing | 1.09Å | 1.10Å | |
| C29 | H14 | sing | 1.09Å | 1.10Å | |
| C30 | H15 | sing | 1.09Å | 1.10Å | |
| C30 | H16 | sing | 1.09Å | 1.10Å | |
| C26 | H17 | sing | 1.09Å | 1.10Å | |
| C26 | H18 | sing | 1.09Å | 1.10Å | |
| C25 | H19 | sing | 1.09Å | 1.10Å | |
| C25 | H20 | sing | 1.09Å | 1.10Å | |
| C24 | H21 | sing | 1.09Å | 1.10Å | |
| C24 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| C22 | H25 | sing | 1.09Å | 1.10Å | |
| C22 | H26 | sing | 1.09Å | 1.10Å | |
| C14 | H27 | sing | 1.09Å | 1.10Å | |
| C14 | H28 | sing | 1.09Å | 1.10Å | |
| C16 | H29 | sing | 1.09Å | 1.10Å | |
| C17 | H30 | sing | 1.09Å | 1.10Å | |
| C17 | H31 | sing | 1.09Å | 1.10Å | |
| C17 | H32 | sing | 1.09Å | 1.10Å | |
| C18 | H33 | sing | 1.09Å | 1.10Å | |
| C18 | H34 | sing | 1.09Å | 1.10Å | |
| C19 | H35 | sing | 1.09Å | 1.10Å | |
| C19 | H36 | sing | 1.09Å | 1.10Å | |
| C20 | H37 | sing | 1.09Å | 1.10Å | |
| C21 | H38 | sing | 1.09Å | 1.10Å | |
| N8 | H39 | sing | 0.97Å | 1.00Å | |
| N5 | H41 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C18 | C14 | N6 | 105.2° | 107.3° |
| C14 | C18 | C16 | 106.3° | 103.0° |
| C18 | C14 | H27 | 110.5° | 109.9° |
| C18 | C14 | H28 | 110.6° | 109.9° |
| C14 | C18 | H33 | 110.3° | 110.8° |
| C14 | C18 | H34 | 110.2° | 110.7° |
| C14 | N6 | C7 | 128.8° | 125.6° |
| C14 | N6 | C10 | 112.1° | 108.6° |
| N6 | C14 | H27 | 110.5° | 109.8° |
| N6 | C14 | H28 | 110.5° | 109.9° |
| C18 | C16 | C9 | 113.1° | 111.0° |
| C18 | C16 | C10 | 104.1° | 101.6° |
| C18 | C16 | H29 | 109.5° | 111.0° |
| C16 | C18 | H33 | 110.2° | 110.7° |
| C16 | C18 | H34 | 110.3° | 110.7° |
| C20 | C13 | C7 | 115.9° | 109.5° |
| C13 | C20 | C22 | 118.0° | 110.8° |
| C13 | C20 | C23 | 115.2° | 110.8° |
| C20 | C13 | H3 | 107.8° | 109.5° |
| C20 | C13 | H4 | 107.8° | 109.5° |
| C13 | C20 | H37 | 104.8° | 110.7° |
| C13 | C7 | N6 | 116.0° | 120.0° |
| C13 | C7 | O15 | 120.9° | 120.0° |
| C7 | C13 | H3 | 107.8° | 109.5° |
| C7 | C13 | H4 | 107.8° | 109.4° |
| C7 | N6 | C10 | 119.0° | 125.8° |
| N6 | C7 | O15 | 123.1° | 120.0° |
| N6 | C10 | C16 | 106.4° | 104.9° |
| N6 | C10 | H5 | 110.2° | 110.4° |
| N6 | C10 | H6 | 110.2° | 110.4° |
| C9 | C16 | C10 | 111.0° | 111.0° |
| C16 | C9 | C4 | 115.8° | 109.5° |
| C16 | C9 | H1 | 107.9° | 109.5° |
| C16 | C9 | H2 | 107.8° | 109.5° |
| C9 | C16 | H29 | 109.4° | 110.9° |
| C16 | C10 | H5 | 110.2° | 110.3° |
| C16 | C10 | H6 | 110.3° | 110.3° |
| C10 | C16 | H29 | 109.6° | 111.0° |
| C22 | C20 | C23 | 107.5° | 102.8° |
| C20 | C22 | C29 | 105.7° | 104.1° |
| C20 | C22 | H25 | 110.4° | 110.5° |
| C20 | C22 | H26 | 110.4° | 110.6° |
| C22 | C20 | H37 | 104.9° | 110.7° |
| C20 | C23 | C28 | 105.1° | 104.2° |
| C20 | C23 | H23 | 110.5° | 110.5° |
| C20 | C23 | H24 | 110.5° | 110.6° |
| C23 | C20 | H37 | 105.0° | 110.9° |
| C9 | C4 | C12 | 109.0° | 110.5° |
| C9 | C4 | N5 | 111.9° | 110.4° |
| C9 | C4 | C3 | 113.4° | 110.6° |
| C4 | C9 | H1 | 107.9° | 109.5° |
| C4 | C9 | H2 | 107.9° | 109.4° |
| C22 | C29 | C28 | 107.6° | 106.6° |
| C22 | C29 | H13 | 109.9° | 110.0° |
| C22 | C29 | H14 | 109.9° | 110.1° |
| C29 | C22 | H25 | 110.4° | 110.5° |
| C29 | C22 | H26 | 110.4° | 110.5° |
| C23 | C28 | C29 | 108.0° | 106.6° |
| C23 | C28 | H11 | 109.8° | 110.0° |
| C23 | C28 | H12 | 109.8° | 110.0° |
| C28 | C23 | H23 | 110.5° | 110.5° |
| C28 | C23 | H24 | 110.5° | 110.5° |
| C29 | C28 | H11 | 109.8° | 110.1° |
| C29 | C28 | H12 | 109.8° | 110.0° |
| C28 | C29 | H13 | 109.9° | 110.1° |
| C28 | C29 | H14 | 109.9° | 110.0° |
| C4 | C12 | C19 | 115.4° | 109.5° |
| C12 | C4 | N5 | 111.4° | 110.5° |
| C12 | C4 | C3 | 109.2° | 110.3° |
| C4 | C12 | H7 | 108.0° | 109.5° |
| C4 | C12 | H8 | 108.0° | 109.5° |
| C12 | C19 | C21 | 112.9° | 109.5° |
| C19 | C12 | H7 | 108.0° | 109.5° |
| C19 | C12 | H8 | 108.0° | 109.5° |
| C12 | C19 | H35 | 108.6° | 109.5° |
| C12 | C19 | H36 | 108.6° | 109.5° |
| N5 | C4 | C3 | 101.9° | 104.4° |
| C4 | N5 | C2 | 111.1° | 106.6° |
| C4 | N5 | H41 | 124.5° | 126.8° |
| C4 | C3 | O11 | 124.1° | 126.7° |
| C4 | C3 | N1 | 107.6° | 106.5° |
| C24 | C27 | C30 | 112.4° | 109.5° |
| C27 | C24 | C21 | 110.7° | 109.4° |
| C24 | C27 | H9 | 108.7° | 109.5° |
| C24 | C27 | H10 | 108.7° | 109.5° |
| C27 | C24 | H21 | 109.2° | 109.5° |
| C27 | C24 | H22 | 109.2° | 109.5° |
| C27 | C30 | C26 | 114.1° | 109.5° |
| C30 | C27 | H9 | 108.7° | 109.4° |
| C30 | C27 | H10 | 108.8° | 109.5° |
| C27 | C30 | H15 | 108.3° | 109.5° |
| C27 | C30 | H16 | 108.3° | 109.5° |
| C24 | C21 | C19 | 112.4° | 109.5° |
| C24 | C21 | C25 | 111.2° | 109.5° |
| C21 | C24 | H21 | 109.2° | 109.5° |
| C21 | C24 | H22 | 109.1° | 109.5° |
| C24 | C21 | H38 | 108.1° | 109.5° |
| O11 | C3 | N1 | 128.3° | 126.7° |
| N5 | C2 | N1 | 108.4° | 111.3° |
| N5 | C2 | N8 | 127.1° | 124.4° |
| C2 | N5 | H41 | 124.5° | 126.7° |
| C3 | N1 | C2 | 111.0° | 111.2° |
| C3 | N1 | C17 | 122.8° | 124.3° |
| C19 | C21 | C25 | 108.5° | 109.5° |
| C21 | C19 | H35 | 108.6° | 109.4° |
| C21 | C19 | H36 | 108.6° | 109.5° |
| C19 | C21 | H38 | 108.3° | 109.4° |
| C21 | C25 | C26 | 111.6° | 109.5° |
| C21 | C25 | H19 | 108.9° | 109.4° |
| C21 | C25 | H20 | 108.9° | 109.4° |
| C25 | C21 | H38 | 108.2° | 109.5° |
| C30 | C26 | C25 | 112.2° | 109.4° |
| C26 | C30 | H15 | 108.3° | 109.5° |
| C26 | C30 | H16 | 108.3° | 109.4° |
| C30 | C26 | H17 | 108.8° | 109.5° |
| C30 | C26 | H18 | 108.8° | 109.5° |
| N1 | C2 | N8 | 124.5° | 124.4° |
| C2 | N1 | C17 | 126.2° | 124.4° |
| C2 | N8 | H39 | 112.0° | 120.0° |
| N1 | C17 | H30 | 109.5° | 109.4° |
| N1 | C17 | H31 | 109.5° | 109.5° |
| N1 | C17 | H32 | 109.4° | 109.5° |
| C25 | C26 | H17 | 108.8° | 109.5° |
| C25 | C26 | H18 | 108.8° | 109.5° |
| C26 | C25 | H19 | 109.0° | 109.5° |
| C26 | C25 | H20 | 109.0° | 109.5° |
| H1 | C9 | H2 | 109.5° | 109.5° |
| H3 | C13 | H4 | 109.5° | 109.5° |
| H5 | C10 | H6 | 109.5° | 110.4° |
| H7 | C12 | H8 | 109.5° | 109.4° |
| H9 | C27 | H10 | 109.5° | 109.5° |
| H11 | C28 | H12 | 109.5° | 110.0° |
| H13 | C29 | H14 | 109.5° | 110.0° |
| H15 | C30 | H16 | 109.5° | 109.5° |
| H17 | C26 | H18 | 109.5° | 109.5° |
| H19 | C25 | H20 | 109.5° | 109.5° |
| H21 | C24 | H22 | 109.5° | 109.5° |
| H23 | C23 | H24 | 109.5° | 110.4° |
| H25 | C22 | H26 | 109.4° | 110.5° |
| H27 | C14 | H28 | 109.5° | 110.0° |
| H30 | C17 | H31 | 109.5° | 109.5° |
| H30 | C17 | H32 | 109.5° | 109.5° |
| H31 | C17 | H32 | 109.5° | 109.5° |
| H33 | C18 | H34 | 109.5° | 110.7° |
| H35 | C19 | H36 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C18 | C14 | N6 | H27 | 119.3° | 119.4° |
| C18 | C14 | N6 | H28 | 119.3° | 119.4° |
| C14 | C18 | C16 | H33 | 119.5° | 118.4° |
| C14 | C18 | C16 | H34 | 119.5° | 118.4° |
| C18 | C14 | N6 | C7 | 176.9° | 179.0° |
| C18 | C14 | N6 | C10 | 1.9° | 1.1° |
| C14 | C18 | C16 | C9 | 144.6° | 153.6° |
| C14 | C18 | C16 | C10 | 24.0° | 35.5° |
| C18 | C14 | H27 | H28 | 122.0° | 121.1° |
| C14 | C18 | C16 | H29 | 93.1° | 82.6° |
| C14 | C18 | H33 | H34 | 121.4° | 123.2° |
| N6 | C14 | C18 | C16 | 16.4° | 22.2° |
| C14 | N6 | C7 | C13 | 13.4° | 0.0° |
| C14 | N6 | C7 | C10 | 174.7° | 179.9° |
| C14 | N6 | C10 | C16 | 13.4° | 24.2° |
| C14 | N6 | C7 | O15 | 165.7° | 180.0° |
| C14 | N6 | C10 | H5 | 132.9° | 94.7° |
| C14 | N6 | C10 | H6 | 106.2° | 143.0° |
| N6 | C14 | H27 | H28 | 122.0° | 121.1° |
| N6 | C14 | C18 | H33 | 103.1° | 96.2° |
| N6 | C14 | C18 | H34 | 135.9° | 140.6° |
| C18 | C16 | C10 | N6 | 22.8° | 37.1° |
| C18 | C16 | C9 | C10 | 116.6° | 112.2° |
| C18 | C16 | C9 | H29 | 122.4° | 123.9° |
| C18 | C16 | C10 | H29 | 117.1° | 118.1° |
| C18 | C16 | C9 | C4 | 168.1° | 72.8° |
| C18 | C16 | C9 | H1 | 71.0° | 47.2° |
| C18 | C16 | C9 | H2 | 47.2° | 167.2° |
| C18 | C16 | C10 | H5 | 142.3° | 81.8° |
| C18 | C16 | C10 | H6 | 96.7° | 155.9° |
| C16 | C18 | C14 | H27 | 102.9° | 97.2° |
| C16 | C18 | C14 | H28 | 135.7° | 141.6° |
| C16 | C18 | H33 | H34 | 121.5° | 123.2° |
| C20 | C13 | C7 | H3 | 120.9° | 120.0° |
| C20 | C13 | C7 | H4 | 120.9° | 120.0° |
| C20 | C13 | C7 | N6 | 96.5° | 180.0° |
| C13 | C20 | C22 | C23 | 132.4° | 118.3° |
| C13 | C20 | C22 | H37 | 116.2° | 123.2° |
| C13 | C20 | C23 | H37 | 114.7° | 123.3° |
| C20 | C13 | C7 | O15 | 84.4° | 0.0° |
| C13 | C20 | C22 | C29 | 155.6° | 156.2° |
| C13 | C20 | C23 | C28 | 158.5° | 156.2° |
| C20 | C13 | H3 | H4 | 117.1° | 120.0° |
| C13 | C20 | C23 | H23 | 82.2° | 37.6° |
| C13 | C20 | C23 | H24 | 39.2° | 85.0° |
| C13 | C20 | C22 | H25 | 36.2° | 85.1° |
| C13 | C20 | C22 | H26 | 85.0° | 37.6° |
| C13 | C7 | N6 | O15 | 179.0° | 180.0° |
| C13 | C7 | N6 | C10 | 161.4° | 180.0° |
| C7 | C13 | C20 | C22 | 55.3° | 175.0° |
| C7 | C13 | C20 | C23 | 73.7° | 71.7° |
| C7 | C13 | H3 | H4 | 117.1° | 120.0° |
| C7 | C13 | C20 | H37 | 171.5° | 51.8° |
| C7 | N6 | C10 | C16 | 162.2° | 155.9° |
| N6 | C7 | C13 | H3 | 142.5° | 60.0° |
| N6 | C7 | C13 | H4 | 24.4° | 60.0° |
| C7 | N6 | C10 | H5 | 42.7° | 85.2° |
| C7 | N6 | C10 | H6 | 78.3° | 37.0° |
| C7 | N6 | C14 | H27 | 57.6° | 59.6° |
| C7 | N6 | C14 | H28 | 63.7° | 61.6° |
| N6 | C10 | C16 | C9 | 144.8° | 155.2° |
| N6 | C10 | C16 | H5 | 119.5° | 118.9° |
| N6 | C10 | C16 | H6 | 119.5° | 118.9° |
| C10 | N6 | C7 | O15 | 19.6° | 0.0° |
| N6 | C10 | H5 | H6 | 121.4° | 122.3° |
| C10 | N6 | C14 | H27 | 117.4° | 120.5° |
| C10 | N6 | C14 | H28 | 121.3° | 118.3° |
| N6 | C10 | C16 | H29 | 94.3° | 81.1° |
| C9 | C16 | C10 | H29 | 120.9° | 123.8° |
| C16 | C9 | C4 | H1 | 120.9° | 120.0° |
| C16 | C9 | C4 | H2 | 120.9° | 120.0° |
| C16 | C9 | C4 | C12 | 166.7° | 176.8° |
| C16 | C9 | C4 | N5 | 43.1° | 54.3° |
| C16 | C9 | C4 | C3 | 71.4° | 60.8° |
| C16 | C9 | H1 | H2 | 117.1° | 120.0° |
| C9 | C16 | C10 | H5 | 95.7° | 36.3° |
| C9 | C16 | C10 | H6 | 25.3° | 86.0° |
| C9 | C16 | C18 | H33 | 25.1° | 35.1° |
| C9 | C16 | C18 | H34 | 95.9° | 88.1° |
| C10 | C16 | C9 | C4 | 75.3° | 175.0° |
| C10 | C16 | C9 | H1 | 45.6° | 65.0° |
| C10 | C16 | C9 | H2 | 163.7° | 55.0° |
| C16 | C10 | H5 | H6 | 121.4° | 122.2° |
| C10 | C16 | C18 | H33 | 95.5° | 82.9° |
| C10 | C16 | C18 | H34 | 143.5° | 153.9° |
| C22 | C20 | C23 | H37 | 111.4° | 118.4° |
| C20 | C22 | C29 | H25 | 119.4° | 118.7° |
| C20 | C22 | C29 | H26 | 119.4° | 118.8° |
| C22 | C20 | C23 | C28 | 24.6° | 37.9° |
| C20 | C22 | C29 | C28 | 12.6° | 23.6° |
| C22 | C20 | C13 | H3 | 176.2° | 65.0° |
| C22 | C20 | C13 | H4 | 65.7° | 55.0° |
| C20 | C22 | C29 | H13 | 132.3° | 95.7° |
| C20 | C22 | C29 | H14 | 107.1° | 142.9° |
| C22 | C20 | C23 | H23 | 143.9° | 80.8° |
| C22 | C20 | C23 | H24 | 94.7° | 156.6° |
| C20 | C22 | H25 | H26 | 121.8° | 122.7° |
| C23 | C20 | C22 | C29 | 23.2° | 37.9° |
| C20 | C23 | C28 | H23 | 119.3° | 118.7° |
| C20 | C23 | C28 | H24 | 119.3° | 118.8° |
| C20 | C23 | C28 | C29 | 16.5° | 23.6° |
| C23 | C20 | C13 | H3 | 47.3° | 48.4° |
| C23 | C20 | C13 | H4 | 165.4° | 168.4° |
| C20 | C23 | C28 | H11 | 103.3° | 142.9° |
| C20 | C23 | C28 | H12 | 136.3° | 95.7° |
| C20 | C23 | H23 | H24 | 122.0° | 122.7° |
| C23 | C20 | C22 | H25 | 96.2° | 156.6° |
| C23 | C20 | C22 | H26 | 142.6° | 80.8° |
| O15 | C7 | C13 | H3 | 36.5° | 120.0° |
| O15 | C7 | C13 | H4 | 154.7° | 120.0° |
| C9 | C4 | C12 | N5 | 123.9° | 122.5° |
| C9 | C4 | C12 | C3 | 124.4° | 122.6° |
| C9 | C4 | C12 | C19 | 172.5° | 178.2° |
| C9 | C4 | N5 | C3 | 121.4° | 118.9° |
| C9 | C4 | C3 | O11 | 58.1° | 61.2° |
| C9 | C4 | N5 | C2 | 125.4° | 118.7° |
| C9 | C4 | C3 | N1 | 123.8° | 118.5° |
| C4 | C9 | H1 | H2 | 117.1° | 119.9° |
| C9 | C4 | C12 | H7 | 51.6° | 58.2° |
| C9 | C4 | C12 | H8 | 66.7° | 61.8° |
| C4 | C9 | C16 | H29 | 45.7° | 51.1° |
| C9 | C4 | N5 | H41 | 54.6° | 61.1° |
| C22 | C29 | C28 | C23 | 2.4° | 0.0° |
| C22 | C29 | C28 | H13 | 119.7° | 119.3° |
| C22 | C29 | C28 | H14 | 119.7° | 119.3° |
| C22 | C29 | C28 | H11 | 117.4° | 119.3° |
| C22 | C29 | C28 | H12 | 122.2° | 119.3° |
| C22 | C29 | H13 | H14 | 120.9° | 121.4° |
| C29 | C22 | H25 | H26 | 121.8° | 122.5° |
| C29 | C22 | C20 | H37 | 88.2° | 80.6° |
| C23 | C28 | C29 | H11 | 119.8° | 119.3° |
| C23 | C28 | C29 | H12 | 119.8° | 119.3° |
| C23 | C28 | H11 | H12 | 120.7° | 121.4° |
| C23 | C28 | C29 | H13 | 117.3° | 119.3° |
| C23 | C28 | C29 | H14 | 122.2° | 119.4° |
| C28 | C23 | H23 | H24 | 122.0° | 122.6° |
| C28 | C23 | C20 | H37 | 86.8° | 80.5° |
| C29 | C28 | H11 | H12 | 120.7° | 121.4° |
| C28 | C29 | H13 | H14 | 120.8° | 121.4° |
| C29 | C28 | C23 | H23 | 135.9° | 95.1° |
| C29 | C28 | C23 | H24 | 102.8° | 142.4° |
| C28 | C29 | C22 | H25 | 106.8° | 142.3° |
| C28 | C29 | C22 | H26 | 132.0° | 95.1° |
| C4 | C12 | C19 | H7 | 120.9° | 120.0° |
| C4 | C12 | C19 | H8 | 120.9° | 120.0° |
| C12 | C4 | N5 | C3 | 116.3° | 118.5° |
| C12 | C4 | C3 | O11 | 63.6° | 61.3° |
| C12 | C4 | N5 | C2 | 112.4° | 118.8° |
| C12 | C4 | C3 | N1 | 114.5° | 119.0° |
| C4 | C12 | C19 | C21 | 169.4° | 180.0° |
| C12 | C4 | C9 | H1 | 72.4° | 56.8° |
| C12 | C4 | C9 | H2 | 45.8° | 63.2° |
| C4 | C12 | H7 | H8 | 117.4° | 120.0° |
| C4 | C12 | C19 | H35 | 48.9° | 60.0° |
| C4 | C12 | C19 | H36 | 70.2° | 60.0° |
| C12 | C4 | N5 | H41 | 67.6° | 61.5° |
| C19 | C12 | C4 | N5 | 63.6° | 59.3° |
| C19 | C12 | C4 | C3 | 48.1° | 55.6° |
| C12 | C19 | C21 | C24 | 70.4° | 175.0° |
| C12 | C19 | C21 | H35 | 120.5° | 120.0° |
| C12 | C19 | C21 | H36 | 120.5° | 120.1° |
| C12 | C19 | C21 | C25 | 166.2° | 65.0° |
| C19 | C12 | H7 | H8 | 117.3° | 120.0° |
| C12 | C19 | H35 | H36 | 118.4° | 120.0° |
| C12 | C19 | C21 | H38 | 48.9° | 55.0° |
| N5 | C4 | C3 | O11 | 178.4° | 180.0° |
| C4 | N5 | C2 | H41 | 180.0° | 179.8° |
| N5 | C4 | C3 | N1 | 3.4° | 0.3° |
| C4 | N5 | C2 | N1 | 3.1° | 0.1° |
| C4 | N5 | C2 | N8 | 176.3° | 179.8° |
| N5 | C4 | C9 | H1 | 164.0° | 65.7° |
| N5 | C4 | C9 | H2 | 77.8° | 174.3° |
| N5 | C4 | C12 | H7 | 175.5° | 179.3° |
| N5 | C4 | C12 | H8 | 57.2° | 60.7° |
| C4 | C3 | O11 | N1 | 177.7° | 179.6° |
| C3 | C4 | N5 | C2 | 3.9° | 0.2° |
| C4 | C3 | N1 | C2 | 1.8° | 0.3° |
| C4 | C3 | N1 | C17 | 178.9° | 179.6° |
| C3 | C4 | C9 | H1 | 49.5° | 179.2° |
| C3 | C4 | C9 | H2 | 167.6° | 59.2° |
| C3 | C4 | C12 | H7 | 72.7° | 64.4° |
| C3 | C4 | C12 | H8 | 169.0° | 175.6° |
| C3 | C4 | N5 | H41 | 176.1° | 180.0° |
| C24 | C27 | C30 | H9 | 120.4° | 120.0° |
| C24 | C27 | C30 | H10 | 120.4° | 120.0° |
| C27 | C24 | C21 | H21 | 120.2° | 120.0° |
| C27 | C24 | C21 | H22 | 120.2° | 120.0° |
| C27 | C24 | C21 | C19 | 179.2° | 180.0° |
| C27 | C24 | C21 | C25 | 57.3° | 60.0° |
| C24 | C27 | C30 | C26 | 49.1° | 60.0° |
| C24 | C27 | H9 | H10 | 118.7° | 120.0° |
| C24 | C27 | C30 | H15 | 71.6° | 60.0° |
| C24 | C27 | C30 | H16 | 169.7° | 180.0° |
| C27 | C24 | H21 | H22 | 119.5° | 120.0° |
| C27 | C24 | C21 | H38 | 61.4° | 60.0° |
| C30 | C27 | C24 | C21 | 52.8° | 60.0° |
| C27 | C30 | C26 | H15 | 120.7° | 120.0° |
| C27 | C30 | C26 | H16 | 120.7° | 120.0° |
| C27 | C30 | C26 | C25 | 48.6° | 60.0° |
| C30 | C27 | H9 | H10 | 118.7° | 120.0° |
| C27 | C30 | H15 | H16 | 117.9° | 120.0° |
| C27 | C30 | C26 | H17 | 169.0° | 180.0° |
| C27 | C30 | C26 | H18 | 71.8° | 60.0° |
| C30 | C27 | C24 | H21 | 172.9° | 180.0° |
| C30 | C27 | C24 | H22 | 67.4° | 60.0° |
| C24 | C21 | C19 | C25 | 123.4° | 120.0° |
| C24 | C21 | C19 | H38 | 119.4° | 120.0° |
| C24 | C21 | C25 | H38 | 118.6° | 120.0° |
| C24 | C21 | C25 | C26 | 57.4° | 60.0° |
| C21 | C24 | C27 | H9 | 173.2° | 60.0° |
| C21 | C24 | C27 | H10 | 67.7° | 180.0° |
| C24 | C21 | C25 | H19 | 177.7° | 60.0° |
| C24 | C21 | C25 | H20 | 62.9° | 180.0° |
| C21 | C24 | H21 | H22 | 119.4° | 120.0° |
| C24 | C21 | C19 | H35 | 169.1° | 65.0° |
| C24 | C21 | C19 | H36 | 50.1° | 54.9° |
| O11 | C3 | N1 | C2 | 179.9° | 180.0° |
| O11 | C3 | N1 | C17 | 0.9° | 0.1° |
| N5 | C2 | N1 | C3 | 0.7° | 0.2° |
| N5 | C2 | N1 | N8 | 179.4° | 179.9° |
| N5 | C2 | N1 | C17 | 178.6° | 179.7° |
| N5 | C2 | N8 | H39 | 179.3° | 179.7° |
| C3 | N1 | C2 | C17 | 179.2° | 179.9° |
| C3 | N1 | C2 | N8 | 178.7° | 180.0° |
| C3 | N1 | C17 | H30 | 180.0° | 179.9° |
| C3 | N1 | C17 | H31 | 60.0° | 59.9° |
| C3 | N1 | C17 | H32 | 60.0° | 60.1° |
| C19 | C21 | C25 | H38 | 117.3° | 120.0° |
| C19 | C21 | C25 | C26 | 178.5° | 180.0° |
| C21 | C19 | C12 | H7 | 69.8° | 60.0° |
| C21 | C19 | C12 | H8 | 48.5° | 60.0° |
| C19 | C21 | C25 | H19 | 58.2° | 60.0° |
| C19 | C21 | C25 | H20 | 61.2° | 60.0° |
| C19 | C21 | C24 | H21 | 60.6° | 60.0° |
| C19 | C21 | C24 | H22 | 59.0° | 60.0° |
| C21 | C19 | H35 | H36 | 118.4° | 120.0° |
| C21 | C25 | C26 | C30 | 52.4° | 60.0° |
| C21 | C25 | C26 | H19 | 120.3° | 120.0° |
| C21 | C25 | C26 | H20 | 120.3° | 120.0° |
| C21 | C25 | C26 | H17 | 172.8° | 180.0° |
| C21 | C25 | C26 | H18 | 68.0° | 60.0° |
| C21 | C25 | H19 | H20 | 119.0° | 119.9° |
| C25 | C21 | C24 | H21 | 177.5° | 180.0° |
| C25 | C21 | C24 | H22 | 62.9° | 60.0° |
| C25 | C21 | C19 | H35 | 45.7° | 55.0° |
| C25 | C21 | C19 | H36 | 73.3° | 175.0° |
| C30 | C26 | C25 | H17 | 120.4° | 120.0° |
| C30 | C26 | C25 | H18 | 120.4° | 120.0° |
| C26 | C30 | C27 | H9 | 169.5° | 60.0° |
| C26 | C30 | C27 | H10 | 71.4° | 180.0° |
| C26 | C30 | H15 | H16 | 117.9° | 119.9° |
| C30 | C26 | H17 | H18 | 118.7° | 120.0° |
| C30 | C26 | C25 | H19 | 172.7° | 60.0° |
| C30 | C26 | C25 | H20 | 67.9° | 180.0° |
| C2 | N1 | C17 | H30 | 0.9° | 0.0° |
| C2 | N1 | C17 | H31 | 119.1° | 120.0° |
| C2 | N1 | C17 | H32 | 120.8° | 120.0° |
| N1 | C2 | N8 | H39 | 0.0° | 0.1° |
| N1 | C2 | N5 | H41 | 177.0° | 179.8° |
| N8 | C2 | N1 | C17 | 2.0° | 0.1° |
| N8 | C2 | N5 | H41 | 3.7° | 0.0° |
| N1 | C17 | H30 | H31 | 120.0° | 120.0° |
| N1 | C17 | H30 | H32 | 120.0° | 120.0° |
| N1 | C17 | H31 | H32 | 120.0° | 120.1° |
| C25 | C26 | C30 | H15 | 72.1° | 60.0° |
| C25 | C26 | C30 | H16 | 169.2° | 180.0° |
| C25 | C26 | H17 | H18 | 118.8° | 120.0° |
| C26 | C25 | H19 | H20 | 119.1° | 120.1° |
| C26 | C25 | C21 | H38 | 61.2° | 60.0° |
| H1 | C9 | C16 | H29 | 166.6° | 171.1° |
| H2 | C9 | C16 | H29 | 75.2° | 68.8° |
| H3 | C13 | C20 | H37 | 67.6° | 171.8° |
| H4 | C13 | C20 | H37 | 50.6° | 68.2° |
| H5 | C10 | C16 | H29 | 25.2° | 160.1° |
| H6 | C10 | C16 | H29 | 146.2° | 37.8° |
| H7 | C12 | C19 | H35 | 169.7° | 180.0° |
| H7 | C12 | C19 | H36 | 50.7° | 60.1° |
| H8 | C12 | C19 | H35 | 72.0° | 60.0° |
| H8 | C12 | C19 | H36 | 169.0° | 180.0° |
| H9 | C27 | C30 | H15 | 48.8° | 180.0° |
| H9 | C27 | C30 | H16 | 69.8° | 60.0° |
| H9 | C27 | C24 | H21 | 66.6° | 60.0° |
| H9 | C27 | C24 | H22 | 53.0° | 180.0° |
| H10 | C27 | C30 | H15 | 168.0° | 60.0° |
| H10 | C27 | C30 | H16 | 49.3° | 60.0° |
| H10 | C27 | C24 | H21 | 52.5° | 60.0° |
| H10 | C27 | C24 | H22 | 172.1° | 60.0° |
| H11 | C28 | C29 | H13 | 122.9° | 121.4° |
| H11 | C28 | C29 | H14 | 2.4° | 0.1° |
| H11 | C28 | C23 | H23 | 16.1° | 24.2° |
| H11 | C28 | C23 | H24 | 137.4° | 98.3° |
| H12 | C28 | C29 | H13 | 2.5° | 0.0° |
| H12 | C28 | C29 | H14 | 118.1° | 121.4° |
| H12 | C28 | C23 | H23 | 104.4° | 145.6° |
| H12 | C28 | C23 | H24 | 17.0° | 23.1° |
| H13 | C29 | C22 | H25 | 12.9° | 23.0° |
| H13 | C29 | C22 | H26 | 108.3° | 145.5° |
| H14 | C29 | C22 | H25 | 133.5° | 98.4° |
| H14 | C29 | C22 | H26 | 12.3° | 24.1° |
| H15 | C30 | C26 | H17 | 48.3° | 60.0° |
| H15 | C30 | C26 | H18 | 167.5° | 180.0° |
| H16 | C30 | C26 | H17 | 70.3° | 60.0° |
| H16 | C30 | C26 | H18 | 48.8° | 60.0° |
| H17 | C26 | C25 | H19 | 66.9° | 60.0° |
| H17 | C26 | C25 | H20 | 52.5° | 60.1° |
| H18 | C26 | C25 | H19 | 52.3° | 180.0° |
| H18 | C26 | C25 | H20 | 171.7° | 60.0° |
| H19 | C25 | C21 | H38 | 59.1° | 180.0° |
| H20 | C25 | C21 | H38 | 178.5° | 60.0° |
| H21 | C24 | C21 | H38 | 58.8° | 60.0° |
| H22 | C24 | C21 | H38 | 178.4° | 180.0° |
| H23 | C23 | C20 | H37 | 32.5° | 160.9° |
| H24 | C23 | C20 | H37 | 153.9° | 38.3° |
| H25 | C22 | C20 | H37 | 152.4° | 38.1° |
| H26 | C22 | C20 | H37 | 31.2° | 160.7° |
| H27 | C14 | C18 | H33 | 137.6° | 144.4° |
| H27 | C14 | C18 | H34 | 16.6° | 21.2° |
| H28 | C14 | C18 | H33 | 16.2° | 23.2° |
| H28 | C14 | C18 | H34 | 104.8° | 100.0° |
| H29 | C16 | C18 | H33 | 147.4° | 159.0° |
| H29 | C16 | C18 | H34 | 26.4° | 35.8° |
| H30 | C17 | H31 | H32 | 120.0° | 120.0° |
| H35 | C19 | C21 | H38 | 71.5° | 175.0° |
| H36 | C19 | C21 | H38 | 169.5° | 65.0° |
