3KT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C18 | C20 | sing | 1.53Å | 1.53Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C20 | C13 | sing | 1.53Å | 1.52Å | |
| C19 | C12 | sing | 1.53Å | 1.53Å | |
| C13 | C7 | sing | 1.53Å | 1.53Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C12 | C14 | sing | 1.53Å | 1.52Å | |
| C12 | N10 | sing | 1.47Å | 1.51Å | |
| C21 | C16 | sing | 1.54Å | 1.52Å | |
| C21 | C26 | sing | 1.55Å | 1.51Å | |
| C7 | C4 | sing | 1.53Å | 1.53Å | |
| C16 | N10 | sing | 1.47Å | 1.49Å | |
| C16 | C22 | sing | 1.54Å | 1.51Å | |
| C26 | C27 | sing | 1.55Å | 1.50Å | |
| C22 | C27 | sing | 1.54Å | 1.51Å | |
| C4 | C9 | sing | 1.53Å | 1.52Å | |
| C4 | N6 | sing | 1.47Å | 1.46Å | |
| C4 | C3 | sing | 1.51Å | 1.52Å | |
| C9 | C15 | sing | 1.53Å | 1.52Å | |
| N6 | C1 | sing | 1.37Å | 1.37Å | |
| C23 | C28 | sing | 1.53Å | 1.53Å | |
| C23 | C17 | sing | 1.53Å | 1.53Å | |
| C28 | C29 | sing | 1.53Å | 1.52Å | |
| O8 | C3 | doub | 1.21Å | 1.22Å | |
| C3 | N2 | sing | 1.35Å | 1.37Å | |
| C17 | C15 | sing | 1.53Å | 1.52Å | |
| C17 | C24 | sing | 1.53Å | 1.52Å | |
| C1 | N2 | sing | 1.37Å | 1.36Å | |
| C1 | N5 | doub | 1.30Å | 1.29Å | |
| N2 | C11 | sing | 1.47Å | 1.46Å | |
| C29 | C25 | sing | 1.53Å | 1.52Å | |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| C12 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C9 | H5 | sing | 1.09Å | 1.10Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| N5 | H10 | sing | 0.97Å | 1.00Å | |
| N10 | H12 | sing | 1.01Å | 1.00Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C19 | H22 | sing | 1.09Å | 1.10Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| C20 | H24 | sing | 1.09Å | 1.10Å | |
| C20 | H25 | sing | 1.09Å | 1.10Å | |
| C21 | H26 | sing | 1.09Å | 1.10Å | |
| C21 | H27 | sing | 1.09Å | 1.10Å | |
| C22 | H28 | sing | 1.09Å | 1.10Å | |
| C22 | H29 | sing | 1.09Å | 1.10Å | |
| C23 | H30 | sing | 1.09Å | 1.10Å | |
| C23 | H31 | sing | 1.09Å | 1.10Å | |
| C24 | H32 | sing | 1.09Å | 1.10Å | |
| C24 | H33 | sing | 1.09Å | 1.10Å | |
| C25 | H34 | sing | 1.09Å | 1.10Å | |
| C25 | H35 | sing | 1.09Å | 1.10Å | |
| C26 | H36 | sing | 1.09Å | 1.10Å | |
| C27 | H37 | sing | 1.09Å | 1.10Å | |
| C28 | H38 | sing | 1.09Å | 1.10Å | |
| C28 | H39 | sing | 1.09Å | 1.10Å | |
| C29 | H40 | sing | 1.09Å | 1.10Å | |
| C29 | H41 | sing | 1.09Å | 1.10Å | |
| N6 | H11 | sing | 0.97Å | 1.00Å | |
| C26 | H13 | sing | 1.09Å | 1.10Å | |
| C27 | H42 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C20 | C18 | C19 | 111.3° | 109.5° |
| C18 | C20 | C13 | 112.5° | 109.5° |
| C20 | C18 | H20 | 109.0° | 109.5° |
| C20 | C18 | H21 | 109.0° | 109.5° |
| C18 | C20 | H24 | 108.7° | 109.4° |
| C18 | C20 | H25 | 108.7° | 109.5° |
| C18 | C19 | C12 | 108.0° | 109.5° |
| C19 | C18 | H20 | 109.0° | 109.5° |
| C19 | C18 | H21 | 109.0° | 109.4° |
| C18 | C19 | H22 | 109.9° | 109.4° |
| C18 | C19 | H23 | 109.8° | 109.5° |
| C20 | C13 | C7 | 105.8° | 109.4° |
| C20 | C13 | C14 | 108.4° | 109.5° |
| C20 | C13 | H2 | 110.0° | 109.5° |
| C13 | C20 | H24 | 108.7° | 109.5° |
| C13 | C20 | H25 | 108.7° | 109.5° |
| C19 | C12 | C14 | 109.5° | 109.5° |
| C19 | C12 | N10 | 113.3° | 109.5° |
| C19 | C12 | H1 | 108.8° | 109.5° |
| C12 | C19 | H22 | 109.8° | 109.5° |
| C12 | C19 | H23 | 109.9° | 109.5° |
| C7 | C13 | C14 | 112.5° | 109.5° |
| C13 | C7 | C4 | 118.9° | 109.4° |
| C7 | C13 | H2 | 110.0° | 109.5° |
| C13 | C7 | H3 | 107.1° | 109.4° |
| C13 | C7 | H4 | 107.1° | 109.5° |
| C13 | C14 | C12 | 109.9° | 109.5° |
| C14 | C13 | H2 | 110.0° | 109.5° |
| C13 | C14 | H14 | 109.4° | 109.5° |
| C13 | C14 | H15 | 109.4° | 109.5° |
| C14 | C12 | N10 | 107.0° | 109.5° |
| C14 | C12 | H1 | 109.0° | 109.5° |
| C12 | C14 | H14 | 109.4° | 109.5° |
| C12 | C14 | H15 | 109.4° | 109.5° |
| C12 | N10 | C16 | 116.1° | 111.0° |
| N10 | C12 | H1 | 109.1° | 109.5° |
| C12 | N10 | H12 | 107.8° | 111.0° |
| C16 | C21 | C26 | 108.1° | 104.2° |
| C21 | C16 | N10 | 109.4° | 110.0° |
| C21 | C16 | C22 | 107.7° | 106.6° |
| C21 | C16 | H18 | 111.0° | 110.1° |
| C16 | C21 | H26 | 109.8° | 110.5° |
| C16 | C21 | H27 | 109.8° | 110.5° |
| C21 | C26 | C27 | 107.5° | 102.7° |
| C26 | C21 | H26 | 109.8° | 110.5° |
| C26 | C21 | H27 | 109.8° | 110.5° |
| C21 | C26 | H36 | 109.9° | 110.8° |
| C21 | C26 | H13 | 110.0° | 110.8° |
| C7 | C4 | C9 | 107.0° | 110.4° |
| C7 | C4 | N6 | 114.0° | 110.6° |
| C7 | C4 | C3 | 112.4° | 110.4° |
| C4 | C7 | H3 | 107.0° | 109.4° |
| C4 | C7 | H4 | 107.1° | 109.4° |
| N10 | C16 | C22 | 105.9° | 110.0° |
| C16 | N10 | H12 | 107.8° | 111.0° |
| N10 | C16 | H18 | 111.5° | 110.0° |
| C16 | C22 | C27 | 107.4° | 106.6° |
| C22 | C16 | H18 | 111.2° | 110.1° |
| C16 | C22 | H28 | 110.0° | 110.0° |
| C16 | C22 | H29 | 110.0° | 110.1° |
| C26 | C27 | C22 | 109.2° | 104.2° |
| C27 | C26 | H36 | 110.0° | 110.7° |
| C26 | C27 | H37 | 109.5° | 110.5° |
| C27 | C26 | H13 | 110.0° | 110.7° |
| C26 | C27 | H42 | 109.5° | 110.5° |
| C27 | C22 | H28 | 110.0° | 110.0° |
| C27 | C22 | H29 | 110.0° | 110.0° |
| C22 | C27 | H37 | 109.5° | 110.5° |
| C22 | C27 | H42 | 109.6° | 110.5° |
| C9 | C4 | N6 | 109.9° | 110.5° |
| C9 | C4 | C3 | 111.2° | 110.4° |
| C4 | C9 | C15 | 115.8° | 109.5° |
| C4 | C9 | H5 | 107.9° | 109.5° |
| C4 | C9 | H6 | 107.9° | 109.4° |
| N6 | C4 | C3 | 102.4° | 104.4° |
| C4 | N6 | C1 | 110.2° | 106.6° |
| C4 | N6 | H11 | 124.9° | 126.8° |
| C4 | C3 | O8 | 126.9° | 126.7° |
| C4 | C3 | N2 | 106.3° | 106.5° |
| C9 | C15 | C17 | 113.3° | 109.5° |
| C15 | C9 | H5 | 107.8° | 109.5° |
| C15 | C9 | H6 | 107.9° | 109.5° |
| C9 | C15 | H16 | 108.5° | 109.5° |
| C9 | C15 | H17 | 108.5° | 109.5° |
| N6 | C1 | N2 | 108.8° | 111.2° |
| N6 | C1 | N5 | 128.2° | 124.4° |
| C1 | N6 | H11 | 124.9° | 126.7° |
| C28 | C23 | C17 | 109.4° | 109.5° |
| C23 | C28 | C29 | 111.8° | 109.5° |
| C28 | C23 | H30 | 109.5° | 109.5° |
| C28 | C23 | H31 | 109.5° | 109.5° |
| C23 | C28 | H38 | 108.9° | 109.5° |
| C23 | C28 | H39 | 108.9° | 109.5° |
| C23 | C17 | C15 | 112.5° | 109.5° |
| C23 | C17 | C24 | 110.4° | 109.5° |
| C23 | C17 | H19 | 108.4° | 109.5° |
| C17 | C23 | H30 | 109.5° | 109.4° |
| C17 | C23 | H31 | 109.5° | 109.5° |
| C28 | C29 | C25 | 111.7° | 109.5° |
| C29 | C28 | H38 | 108.9° | 109.5° |
| C29 | C28 | H39 | 108.9° | 109.4° |
| C28 | C29 | H40 | 108.9° | 109.5° |
| C28 | C29 | H41 | 108.9° | 109.4° |
| O8 | C3 | N2 | 126.6° | 126.7° |
| C3 | N2 | C1 | 112.1° | 111.3° |
| C3 | N2 | C11 | 122.7° | 124.4° |
| C15 | C17 | C24 | 108.5° | 109.5° |
| C17 | C15 | H16 | 108.5° | 109.4° |
| C17 | C15 | H17 | 108.5° | 109.5° |
| C15 | C17 | H19 | 108.5° | 109.4° |
| C17 | C24 | C25 | 112.7° | 109.5° |
| C24 | C17 | H19 | 108.5° | 109.5° |
| C17 | C24 | H32 | 108.6° | 109.5° |
| C17 | C24 | H33 | 108.6° | 109.5° |
| N2 | C1 | N5 | 123.0° | 124.4° |
| C1 | N2 | C11 | 124.4° | 124.4° |
| C1 | N5 | H10 | 112.0° | 120.0° |
| N2 | C11 | H7 | 109.5° | 109.4° |
| N2 | C11 | H8 | 109.4° | 109.5° |
| N2 | C11 | H9 | 109.5° | 109.4° |
| C29 | C25 | C24 | 111.7° | 109.5° |
| C29 | C25 | H34 | 108.9° | 109.4° |
| C29 | C25 | H35 | 108.9° | 109.5° |
| C25 | C29 | H40 | 108.9° | 109.5° |
| C25 | C29 | H41 | 108.9° | 109.4° |
| C25 | C24 | H32 | 108.7° | 109.5° |
| C25 | C24 | H33 | 108.7° | 109.4° |
| C24 | C25 | H34 | 108.9° | 109.5° |
| C24 | C25 | H35 | 108.9° | 109.5° |
| H3 | C7 | H4 | 109.4° | 109.5° |
| H5 | C9 | H6 | 109.5° | 109.5° |
| H7 | C11 | H8 | 109.5° | 109.5° |
| H7 | C11 | H9 | 109.4° | 109.5° |
| H8 | C11 | H9 | 109.5° | 109.5° |
| H14 | C14 | H15 | 109.5° | 109.5° |
| H16 | C15 | H17 | 109.5° | 109.5° |
| H20 | C18 | H21 | 109.4° | 109.5° |
| H22 | C19 | H23 | 109.4° | 109.5° |
| H24 | C20 | H25 | 109.5° | 109.5° |
| H26 | C21 | H27 | 109.5° | 110.6° |
| H28 | C22 | H29 | 109.5° | 110.1° |
| H30 | C23 | H31 | 109.5° | 109.5° |
| H32 | C24 | H33 | 109.5° | 109.5° |
| H34 | C25 | H35 | 109.5° | 109.4° |
| H36 | C26 | H13 | 109.5° | 110.9° |
| H37 | C27 | H42 | 109.5° | 110.5° |
| H38 | C28 | H39 | 109.5° | 109.4° |
| H40 | C29 | H41 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C20 | C18 | C19 | H20 | 120.3° | 120.1° |
| C20 | C18 | C19 | H21 | 120.3° | 120.0° |
| C18 | C20 | C13 | H24 | 120.4° | 120.0° |
| C18 | C20 | C13 | H25 | 120.5° | 120.0° |
| C20 | C18 | C19 | C12 | 56.9° | 59.9° |
| C18 | C20 | C13 | C7 | 175.8° | 180.0° |
| C18 | C20 | C13 | C14 | 54.8° | 60.0° |
| C18 | C20 | C13 | H2 | 65.5° | 60.0° |
| C20 | C18 | H20 | H21 | 119.2° | 120.0° |
| C20 | C18 | C19 | H22 | 176.7° | 60.0° |
| C20 | C18 | C19 | H23 | 62.9° | 180.0° |
| C18 | C20 | H24 | H25 | 118.6° | 120.0° |
| C19 | C18 | C20 | C13 | 55.3° | 60.0° |
| C18 | C19 | C12 | H22 | 119.8° | 120.0° |
| C18 | C19 | C12 | H23 | 119.8° | 120.0° |
| C18 | C19 | C12 | C14 | 61.7° | 60.0° |
| C18 | C19 | C12 | N10 | 179.0° | 180.0° |
| C18 | C19 | C12 | H1 | 57.4° | 60.0° |
| C19 | C18 | H20 | H21 | 119.1° | 120.0° |
| C18 | C19 | H22 | H23 | 120.7° | 120.0° |
| C19 | C18 | C20 | H24 | 65.2° | 179.9° |
| C19 | C18 | C20 | H25 | 175.7° | 60.0° |
| C20 | C13 | C7 | C14 | 118.3° | 120.0° |
| C20 | C13 | C7 | H2 | 118.8° | 120.0° |
| C20 | C13 | C14 | H2 | 120.3° | 120.0° |
| C20 | C13 | C14 | C12 | 59.1° | 60.0° |
| C20 | C13 | C7 | C4 | 177.9° | 169.7° |
| C20 | C13 | C7 | H3 | 60.8° | 70.4° |
| C20 | C13 | C7 | H4 | 56.5° | 49.7° |
| C20 | C13 | C14 | H14 | 61.0° | 179.9° |
| C20 | C13 | C14 | H15 | 179.1° | 60.0° |
| C13 | C20 | C18 | H20 | 65.0° | 180.0° |
| C13 | C20 | C18 | H21 | 175.6° | 60.0° |
| C13 | C20 | H24 | H25 | 118.6° | 120.1° |
| C19 | C12 | C14 | C13 | 64.1° | 60.0° |
| C19 | C12 | C14 | N10 | 123.1° | 120.0° |
| C19 | C12 | C14 | H1 | 119.0° | 120.0° |
| C19 | C12 | N10 | H1 | 121.4° | 120.0° |
| C19 | C12 | N10 | C16 | 50.3° | 85.0° |
| C19 | C12 | N10 | H12 | 70.7° | 39.0° |
| C19 | C12 | C14 | H14 | 56.0° | 180.0° |
| C19 | C12 | C14 | H15 | 175.8° | 60.0° |
| C12 | C19 | C18 | H20 | 63.4° | 180.0° |
| C12 | C19 | C18 | H21 | 177.2° | 60.0° |
| C12 | C19 | H22 | H23 | 120.7° | 120.0° |
| C7 | C13 | C14 | H2 | 123.0° | 120.0° |
| C7 | C13 | C14 | C12 | 175.8° | 180.0° |
| C13 | C7 | C4 | H3 | 121.4° | 119.9° |
| C13 | C7 | C4 | H4 | 121.4° | 120.0° |
| C13 | C7 | C4 | C9 | 154.5° | 173.0° |
| C13 | C7 | C4 | N6 | 32.8° | 50.4° |
| C13 | C7 | C4 | C3 | 83.2° | 64.6° |
| C13 | C7 | H3 | H4 | 115.7° | 120.1° |
| C7 | C13 | C14 | H14 | 55.7° | 60.0° |
| C7 | C13 | C14 | H15 | 64.1° | 60.0° |
| C7 | C13 | C20 | H24 | 55.3° | 60.0° |
| C7 | C13 | C20 | H25 | 63.7° | 60.0° |
| C13 | C14 | C12 | H14 | 120.1° | 120.0° |
| C13 | C14 | C12 | H15 | 120.1° | 120.0° |
| C13 | C14 | C12 | N10 | 172.8° | 180.0° |
| C14 | C13 | C7 | C4 | 63.9° | 70.4° |
| C13 | C14 | C12 | H1 | 54.9° | 60.0° |
| C14 | C13 | C7 | H3 | 57.5° | 49.6° |
| C14 | C13 | C7 | H4 | 174.8° | 169.7° |
| C13 | C14 | H14 | H15 | 119.8° | 120.0° |
| C14 | C13 | C20 | H24 | 65.6° | 180.0° |
| C14 | C13 | C20 | H25 | 175.3° | 60.0° |
| C14 | C12 | N10 | H1 | 117.8° | 120.0° |
| C14 | C12 | N10 | C16 | 171.0° | 155.0° |
| C12 | C14 | C13 | H2 | 61.2° | 60.0° |
| C14 | C12 | N10 | H12 | 50.0° | 81.1° |
| C12 | C14 | H14 | H15 | 119.8° | 120.0° |
| C14 | C12 | C19 | H22 | 178.6° | 60.0° |
| C14 | C12 | C19 | H23 | 58.1° | 180.0° |
| C12 | N10 | C16 | C21 | 59.9° | 87.8° |
| C12 | N10 | C16 | H12 | 121.0° | 124.0° |
| C12 | N10 | C16 | C22 | 175.8° | 155.0° |
| N10 | C12 | C14 | H14 | 67.1° | 60.0° |
| N10 | C12 | C14 | H15 | 52.7° | 60.0° |
| C12 | N10 | C16 | H18 | 63.2° | 33.6° |
| N10 | C12 | C19 | H22 | 59.2° | 60.0° |
| N10 | C12 | C19 | H23 | 61.2° | 60.0° |
| C16 | C21 | C26 | H26 | 119.8° | 118.6° |
| C16 | C21 | C26 | H27 | 119.8° | 118.7° |
| C21 | C16 | N10 | C22 | 115.9° | 117.2° |
| C21 | C16 | N10 | H18 | 123.1° | 121.4° |
| C21 | C16 | C22 | H18 | 121.8° | 119.3° |
| C16 | C21 | C26 | C27 | 2.6° | 37.9° |
| C21 | C16 | C22 | C27 | 1.1° | 0.0° |
| C21 | C16 | N10 | H12 | 179.1° | 148.2° |
| C16 | C21 | H26 | H27 | 120.6° | 122.6° |
| C21 | C16 | C22 | H28 | 118.6° | 119.2° |
| C21 | C16 | C22 | H29 | 120.8° | 119.3° |
| C16 | C21 | C26 | H36 | 117.1° | 156.2° |
| C16 | C21 | C26 | H13 | 122.3° | 80.4° |
| C26 | C21 | C16 | N10 | 112.4° | 142.9° |
| C26 | C21 | C16 | C22 | 2.3° | 23.6° |
| C21 | C26 | C27 | H36 | 119.7° | 118.3° |
| C21 | C26 | C27 | H13 | 119.7° | 118.3° |
| C21 | C26 | C27 | C22 | 1.9° | 37.9° |
| C26 | C21 | C16 | H18 | 124.2° | 95.7° |
| C26 | C21 | H26 | H27 | 120.6° | 122.6° |
| C21 | C26 | H36 | H13 | 120.9° | 123.4° |
| C21 | C26 | C27 | H37 | 121.8° | 156.6° |
| C21 | C26 | C27 | H42 | 118.1° | 80.8° |
| C7 | C4 | C9 | N6 | 124.3° | 122.6° |
| C7 | C4 | C9 | C3 | 123.1° | 122.4° |
| C7 | C4 | N6 | C3 | 121.7° | 118.8° |
| C7 | C4 | C9 | C15 | 167.4° | 178.1° |
| C7 | C4 | N6 | C1 | 123.8° | 118.8° |
| C7 | C4 | C3 | O8 | 57.7° | 60.9° |
| C7 | C4 | C3 | N2 | 126.6° | 118.9° |
| C4 | C7 | C13 | H2 | 59.1° | 49.7° |
| C4 | C7 | H3 | H4 | 115.7° | 120.0° |
| C7 | C4 | C9 | H5 | 46.5° | 58.1° |
| C7 | C4 | C9 | H6 | 71.7° | 61.9° |
| C7 | C4 | N6 | H11 | 56.2° | 61.2° |
| N10 | C16 | C22 | H18 | 121.2° | 121.4° |
| N10 | C16 | C22 | C27 | 115.9° | 119.3° |
| C16 | N10 | C12 | H1 | 71.2° | 35.0° |
| N10 | C16 | C21 | H26 | 7.4° | 24.3° |
| N10 | C16 | C21 | H27 | 127.8° | 98.4° |
| N10 | C16 | C22 | H28 | 124.4° | 121.5° |
| N10 | C16 | C22 | H29 | 3.8° | 0.0° |
| C16 | C22 | C27 | C26 | 0.5° | 23.6° |
| C16 | C22 | C27 | H28 | 119.7° | 119.3° |
| C16 | C22 | C27 | H29 | 119.7° | 119.3° |
| C22 | C16 | N10 | H12 | 63.2° | 31.0° |
| C22 | C16 | C21 | H26 | 122.1° | 95.0° |
| C22 | C16 | C21 | H27 | 117.5° | 142.3° |
| C16 | C22 | H28 | H29 | 120.9° | 121.5° |
| C16 | C22 | C27 | H37 | 120.4° | 142.3° |
| C16 | C22 | C27 | H42 | 119.5° | 95.1° |
| C26 | C27 | C22 | H37 | 119.9° | 118.7° |
| C26 | C27 | C22 | H42 | 120.0° | 118.7° |
| C27 | C26 | C21 | H26 | 122.4° | 80.7° |
| C27 | C26 | C21 | H27 | 117.2° | 156.6° |
| C26 | C27 | C22 | H28 | 120.2° | 95.7° |
| C26 | C27 | C22 | H29 | 119.2° | 142.9° |
| C27 | C26 | H36 | H13 | 120.9° | 123.3° |
| C26 | C27 | H37 | H42 | 120.1° | 122.6° |
| C27 | C22 | C16 | H18 | 122.9° | 119.3° |
| C27 | C22 | H28 | H29 | 121.0° | 121.4° |
| C22 | C27 | C26 | H36 | 117.8° | 156.2° |
| C22 | C27 | H37 | H42 | 120.1° | 122.6° |
| C22 | C27 | C26 | H13 | 121.6° | 80.4° |
| C9 | C4 | N6 | C3 | 118.2° | 118.7° |
| C4 | C9 | C15 | H5 | 120.9° | 120.0° |
| C4 | C9 | C15 | H6 | 120.9° | 120.0° |
| C9 | C4 | N6 | C1 | 116.1° | 118.7° |
| C9 | C4 | C3 | O8 | 62.2° | 61.5° |
| C9 | C4 | C3 | N2 | 113.5° | 118.7° |
| C4 | C9 | C15 | C17 | 168.1° | 180.0° |
| C9 | C4 | C7 | H3 | 84.2° | 67.1° |
| C9 | C4 | C7 | H4 | 33.1° | 52.9° |
| C4 | C9 | H5 | H6 | 117.1° | 120.0° |
| C4 | C9 | C15 | H16 | 47.5° | 60.0° |
| C4 | C9 | C15 | H17 | 71.3° | 60.0° |
| C9 | C4 | N6 | H11 | 63.9° | 61.4° |
| N6 | C4 | C9 | C15 | 68.3° | 59.3° |
| C4 | N6 | C1 | H11 | 180.0° | 180.0° |
| N6 | C4 | C3 | O8 | 179.6° | 179.8° |
| N6 | C4 | C3 | N2 | 3.9° | 0.0° |
| C4 | N6 | C1 | N2 | 0.4° | 0.0° |
| C4 | N6 | C1 | N5 | 179.5° | 179.9° |
| N6 | C4 | C7 | H3 | 154.1° | 170.4° |
| N6 | C4 | C7 | H4 | 88.6° | 69.6° |
| N6 | C4 | C9 | H5 | 170.8° | 179.3° |
| N6 | C4 | C9 | H6 | 52.6° | 60.7° |
| C3 | C4 | C9 | C15 | 44.3° | 55.7° |
| C3 | C4 | N6 | C1 | 2.1° | 0.0° |
| C4 | C3 | O8 | N2 | 174.8° | 179.8° |
| C4 | C3 | N2 | C1 | 4.5° | 0.0° |
| C4 | C3 | N2 | C11 | 174.6° | 180.0° |
| C3 | C4 | C7 | H3 | 38.2° | 55.3° |
| C3 | C4 | C7 | H4 | 155.4° | 175.3° |
| C3 | C4 | C9 | H5 | 76.6° | 64.3° |
| C3 | C4 | C9 | H6 | 165.3° | 175.7° |
| C3 | C4 | N6 | H11 | 177.9° | 179.9° |
| C9 | C15 | C17 | C23 | 71.7° | 65.0° |
| C9 | C15 | C17 | H16 | 120.6° | 120.0° |
| C9 | C15 | C17 | H17 | 120.5° | 120.0° |
| C9 | C15 | C17 | C24 | 165.9° | 175.0° |
| C15 | C9 | H5 | H6 | 117.1° | 120.0° |
| C9 | C15 | H16 | H17 | 118.2° | 120.0° |
| C9 | C15 | C17 | H19 | 48.2° | 55.0° |
| N6 | C1 | N2 | C3 | 3.2° | 0.0° |
| N6 | C1 | N2 | N5 | 180.0° | 179.9° |
| N6 | C1 | N2 | C11 | 173.2° | 180.0° |
| N6 | C1 | N5 | H10 | 180.0° | 180.0° |
| C28 | C23 | C17 | H30 | 120.0° | 120.0° |
| C28 | C23 | C17 | H31 | 120.0° | 120.0° |
| C23 | C28 | C29 | H38 | 120.3° | 120.0° |
| C23 | C28 | C29 | H39 | 120.4° | 120.0° |
| C28 | C23 | C17 | C15 | 179.1° | 180.0° |
| C28 | C23 | C17 | C24 | 57.7° | 60.0° |
| C23 | C28 | C29 | C25 | 55.5° | 59.9° |
| C28 | C23 | C17 | H19 | 61.0° | 60.1° |
| C28 | C23 | H30 | H31 | 120.0° | 120.1° |
| C23 | C28 | H38 | H39 | 118.9° | 120.0° |
| C23 | C28 | C29 | H40 | 64.8° | 180.0° |
| C23 | C28 | C29 | H41 | 175.9° | 60.0° |
| C17 | C23 | C28 | C29 | 58.4° | 59.9° |
| C23 | C17 | C15 | C24 | 122.5° | 120.1° |
| C23 | C17 | C15 | H19 | 119.9° | 120.0° |
| C23 | C17 | C24 | H19 | 118.7° | 120.1° |
| C23 | C17 | C24 | C25 | 55.5° | 60.0° |
| C23 | C17 | C15 | H16 | 167.8° | 175.0° |
| C23 | C17 | C15 | H17 | 48.9° | 55.1° |
| C17 | C23 | H30 | H31 | 120.0° | 120.0° |
| C23 | C17 | C24 | H32 | 176.0° | 180.0° |
| C23 | C17 | C24 | H33 | 65.0° | 60.0° |
| C17 | C23 | C28 | H38 | 178.7° | 180.0° |
| C17 | C23 | C28 | H39 | 62.0° | 60.0° |
| C28 | C29 | C25 | H40 | 120.3° | 120.1° |
| C28 | C29 | C25 | H41 | 120.3° | 119.9° |
| C28 | C29 | C25 | C24 | 51.4° | 59.9° |
| C29 | C28 | C23 | H30 | 178.4° | 60.0° |
| C29 | C28 | C23 | H31 | 61.6° | 180.0° |
| C28 | C29 | C25 | H34 | 171.8° | 60.1° |
| C28 | C29 | C25 | H35 | 68.9° | 180.0° |
| C29 | C28 | H38 | H39 | 118.9° | 120.0° |
| C28 | C29 | H40 | H41 | 119.0° | 120.0° |
| O8 | C3 | N2 | C1 | 179.8° | 179.8° |
| O8 | C3 | N2 | C11 | 9.7° | 0.2° |
| C3 | N2 | C1 | C11 | 170.0° | 180.0° |
| C3 | N2 | C1 | N5 | 176.8° | 179.9° |
| C3 | N2 | C11 | H7 | 180.0° | 90.0° |
| C3 | N2 | C11 | H8 | 60.0° | 150.0° |
| C3 | N2 | C11 | H9 | 60.0° | 29.9° |
| C15 | C17 | C24 | H19 | 117.6° | 119.9° |
| C15 | C17 | C24 | C25 | 179.2° | 180.0° |
| C17 | C15 | C9 | H5 | 71.0° | 60.0° |
| C17 | C15 | C9 | H6 | 47.2° | 60.0° |
| C17 | C15 | H16 | H17 | 118.2° | 120.0° |
| C15 | C17 | C23 | H30 | 60.9° | 60.0° |
| C15 | C17 | C23 | H31 | 59.1° | 60.0° |
| C15 | C17 | C24 | H32 | 60.3° | 60.0° |
| C15 | C17 | C24 | H33 | 58.7° | 60.0° |
| C17 | C24 | C25 | C29 | 52.1° | 60.0° |
| C17 | C24 | C25 | H32 | 120.5° | 120.0° |
| C17 | C24 | C25 | H33 | 120.5° | 120.0° |
| C24 | C17 | C15 | H16 | 45.3° | 55.0° |
| C24 | C17 | C15 | H17 | 73.6° | 65.0° |
| C24 | C17 | C23 | H30 | 177.7° | 60.0° |
| C24 | C17 | C23 | H31 | 62.3° | 180.0° |
| C17 | C24 | H32 | H33 | 118.5° | 120.0° |
| C17 | C24 | C25 | H34 | 172.5° | 60.0° |
| C17 | C24 | C25 | H35 | 68.2° | 180.0° |
| C1 | N2 | C11 | H7 | 11.1° | 90.0° |
| C1 | N2 | C11 | H8 | 108.9° | 30.0° |
| C1 | N2 | C11 | H9 | 131.1° | 150.0° |
| N2 | C1 | N5 | H10 | 0.0° | 0.0° |
| N2 | C1 | N6 | H11 | 179.6° | 179.9° |
| N5 | C1 | N2 | C11 | 6.8° | 0.0° |
| N5 | C1 | N6 | H11 | 0.5° | 0.0° |
| N2 | C11 | H7 | H8 | 120.0° | 120.0° |
| N2 | C11 | H7 | H9 | 120.0° | 119.9° |
| N2 | C11 | H8 | H9 | 120.0° | 120.0° |
| C29 | C25 | C24 | H34 | 120.3° | 120.0° |
| C29 | C25 | C24 | H35 | 120.3° | 120.1° |
| C29 | C25 | C24 | H32 | 172.6° | 180.0° |
| C29 | C25 | C24 | H33 | 68.3° | 60.1° |
| C29 | C25 | H34 | H35 | 119.0° | 120.0° |
| C25 | C29 | C28 | H38 | 175.9° | 180.0° |
| C25 | C29 | C28 | H39 | 64.8° | 60.1° |
| C25 | C29 | H40 | H41 | 119.0° | 120.0° |
| C25 | C24 | C17 | H19 | 63.2° | 60.1° |
| C25 | C24 | H32 | H33 | 118.6° | 119.9° |
| C24 | C25 | H34 | H35 | 119.0° | 120.0° |
| C24 | C25 | C29 | H40 | 68.9° | 180.0° |
| C24 | C25 | C29 | H41 | 171.8° | 60.0° |
| H1 | C12 | N10 | H12 | 167.8° | 158.9° |
| H1 | C12 | C14 | H14 | 175.0° | 60.0° |
| H1 | C12 | C14 | H15 | 65.2° | 180.0° |
| H1 | C12 | C19 | H22 | 62.4° | NaN° |
| H1 | C12 | C19 | H23 | 177.2° | 60.0° |
| H2 | C13 | C7 | H3 | 179.5° | 169.6° |
| H2 | C13 | C7 | H4 | 62.2° | 70.3° |
| H2 | C13 | C14 | H14 | 178.7° | 60.0° |
| H2 | C13 | C14 | H15 | 58.8° | 180.0° |
| H2 | C13 | C20 | H24 | 174.1° | 59.9° |
| H2 | C13 | C20 | H25 | 55.0° | 180.0° |
| H5 | C9 | C15 | H16 | 168.5° | 180.0° |
| H5 | C9 | C15 | H17 | 49.6° | 60.0° |
| H6 | C9 | C15 | H16 | 73.4° | 60.0° |
| H6 | C9 | C15 | H17 | 167.7° | 180.0° |
| H7 | C11 | H8 | H9 | 120.0° | 120.0° |
| H12 | N10 | C16 | H18 | 57.8° | 90.4° |
| H16 | C15 | C17 | H19 | 72.4° | 65.0° |
| H17 | C15 | C17 | H19 | 168.8° | 175.0° |
| H18 | C16 | C21 | H26 | 116.0° | 145.6° |
| H18 | C16 | C21 | H27 | 4.4° | 23.0° |
| H18 | C16 | C22 | H28 | 3.2° | 0.1° |
| H18 | C16 | C22 | H29 | 117.4° | 121.4° |
| H19 | C17 | C23 | H30 | 59.0° | 180.0° |
| H19 | C17 | C23 | H31 | 179.0° | 60.0° |
| H19 | C17 | C24 | H32 | 57.3° | 59.9° |
| H19 | C17 | C24 | H33 | 176.4° | 180.0° |
| H20 | C18 | C19 | H22 | 56.4° | 60.0° |
| H20 | C18 | C19 | H23 | 176.8° | 60.0° |
| H20 | C18 | C20 | H24 | 174.5° | 60.0° |
| H20 | C18 | C20 | H25 | 55.4° | 60.0° |
| H21 | C18 | C19 | H22 | 63.0° | 180.0° |
| H21 | C18 | C19 | H23 | 57.4° | 60.0° |
| H21 | C18 | C20 | H24 | 55.1° | 60.0° |
| H21 | C18 | C20 | H25 | 64.0° | NaN° |
| H26 | C21 | C26 | H36 | 2.7° | 37.6° |
| H26 | C21 | C26 | H13 | 117.9° | 161.0° |
| H27 | C21 | C26 | H36 | 123.1° | 85.1° |
| H27 | C21 | C26 | H13 | 2.5° | 38.3° |
| H28 | C22 | C27 | H37 | 119.9° | 23.0° |
| H28 | C22 | C27 | H42 | 0.2° | 145.6° |
| H29 | C22 | C27 | H37 | 0.8° | 98.4° |
| H29 | C22 | C27 | H42 | 120.9° | 24.2° |
| H30 | C23 | C28 | H38 | 61.3° | 60.0° |
| H30 | C23 | C28 | H39 | 58.0° | 180.0° |
| H31 | C23 | C28 | H38 | 58.7° | 60.0° |
| H31 | C23 | C28 | H39 | 178.0° | 60.0° |
| H32 | C24 | C25 | H34 | 67.1° | 60.0° |
| H32 | C24 | C25 | H35 | 52.3° | 60.0° |
| H33 | C24 | C25 | H34 | 52.0° | 180.0° |
| H33 | C24 | C25 | H35 | 171.3° | 60.0° |
| H34 | C25 | C29 | H40 | 51.5° | 60.0° |
| H34 | C25 | C29 | H41 | 67.9° | NaN° |
| H35 | C25 | C29 | H40 | 170.8° | 60.0° |
| H35 | C25 | C29 | H41 | 51.4° | 60.1° |
| H36 | C26 | C27 | H37 | 2.2° | 85.0° |
| H36 | C26 | C27 | H42 | 122.3° | 37.5° |
| H37 | C27 | C26 | H13 | 118.5° | 38.3° |
| H38 | C28 | C29 | H40 | 55.6° | 59.9° |
| H38 | C28 | C29 | H41 | 63.8° | 60.0° |
| H39 | C28 | C29 | H40 | 174.9° | 60.0° |
| H39 | C28 | C29 | H41 | 55.5° | 180.0° |
| H13 | C26 | C27 | H42 | 1.6° | 160.9° |
