GN9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C17 | doub | 1.21Å | 1.23Å | |
| O4 | C22 | doub | 1.21Å | 1.21Å | |
| C20 | C18 | sing | 1.53Å | 1.53Å | |
| C20 | C21 | sing | 1.53Å | 1.52Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C18 | N1 | sing | 1.47Å | 1.45Å | |
| C9 | C8 | sing | 1.53Å | 1.54Å | |
| C10 | C8 | sing | 1.53Å | 1.53Å | |
| C17 | N1 | sing | 1.35Å | 1.32Å | |
| C17 | C12 | sing | 1.51Å | 1.48Å | |
| C22 | C21 | sing | 1.51Å | 1.49Å | |
| C22 | N2 | sing | 1.35Å | 1.38Å | |
| C16 | C14 | sing | 1.53Å | 1.52Å | |
| C13 | C12 | sing | 1.53Å | 1.52Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C28 | C23 | sing | 1.53Å | 1.53Å | |
| C8 | C7 | sing | 1.53Å | 1.55Å | |
| C23 | N2 | sing | 1.47Å | 1.47Å | |
| C23 | C24 | sing | 1.51Å | 1.49Å | |
| C12 | N | sing | 1.46Å | 1.45Å | |
| N | C11 | sing | 1.35Å | 1.33Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| N2 | C26 | sing | 1.35Å | 1.34Å | |
| C7 | C6 | sing | 1.53Å | 1.53Å | |
| C27 | O6 | sing | 1.45Å | 1.44Å | |
| C11 | C6 | sing | 1.51Å | 1.49Å | |
| C11 | O2 | doub | 1.21Å | 1.20Å | |
| C6 | O1 | sing | 1.45Å | 1.43Å | |
| C24 | O6 | sing | 1.35Å | 1.38Å | |
| C24 | C25 | doub | 1.34Å | 1.40Å | |
| C26 | O5 | doub | 1.22Å | 1.29Å | |
| C26 | C25 | sing | 1.41Å | 1.39Å | |
| O1 | C5 | sing | 1.34Å | 1.47Å | |
| O | C5 | doub | 1.21Å | 1.23Å | |
| C30 | N3 | sing | 1.47Å | 1.48Å | |
| C5 | C4 | sing | 1.51Å | 1.53Å | |
| N3 | C4 | sing | 1.47Å | 1.50Å | |
| N3 | C29 | sing | 1.47Å | 1.49Å | |
| C4 | C2 | sing | 1.53Å | 1.57Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C2 | C1 | sing | 1.53Å | 1.54Å | |
| C1 | C | sing | 1.53Å | 1.52Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C25 | H9 | sing | 1.08Å | 1.08Å | |
| C27 | H10 | sing | 1.09Å | 1.10Å | |
| C27 | H11 | sing | 1.09Å | 1.10Å | |
| C27 | H12 | sing | 1.09Å | 1.10Å | |
| C23 | H13 | sing | 1.09Å | 1.10Å | |
| C28 | H14 | sing | 1.09Å | 1.10Å | |
| C28 | H15 | sing | 1.09Å | 1.10Å | |
| C28 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | H17 | sing | 1.09Å | 1.10Å | |
| C21 | H18 | sing | 1.09Å | 1.10Å | |
| C20 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | 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 | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| N1 | H25 | sing | 0.97Å | 1.00Å | |
| C12 | H26 | sing | 1.09Å | 1.10Å | |
| C13 | H27 | sing | 1.09Å | 1.10Å | |
| C13 | H28 | sing | 1.09Å | 1.10Å | |
| C14 | H29 | sing | 1.09Å | 1.10Å | |
| C16 | H30 | sing | 1.09Å | 1.10Å | |
| C16 | H31 | sing | 1.09Å | 1.10Å | |
| C16 | H32 | sing | 1.09Å | 1.10Å | |
| C15 | H33 | sing | 1.09Å | 1.10Å | |
| C15 | H34 | sing | 1.09Å | 1.10Å | |
| C15 | H35 | sing | 1.09Å | 1.10Å | |
| N | H36 | sing | 0.97Å | 1.00Å | |
| C7 | H37 | sing | 1.09Å | 1.10Å | |
| C7 | H38 | sing | 1.09Å | 1.10Å | |
| C8 | H39 | sing | 1.09Å | 1.10Å | |
| C10 | H40 | sing | 1.09Å | 1.10Å | |
| C10 | H41 | sing | 1.09Å | 1.10Å | |
| C10 | H42 | sing | 1.09Å | 1.10Å | |
| C9 | H43 | sing | 1.09Å | 1.10Å | |
| C9 | H44 | sing | 1.09Å | 1.10Å | |
| C9 | H45 | sing | 1.09Å | 1.10Å | |
| C30 | H47 | sing | 1.09Å | 1.10Å | |
| C30 | H48 | sing | 1.09Å | 1.10Å | |
| C30 | H49 | sing | 1.09Å | 1.10Å | |
| C29 | H50 | sing | 1.09Å | 1.10Å | |
| C29 | H51 | sing | 1.09Å | 1.10Å | |
| C29 | H52 | sing | 1.09Å | 1.10Å | |
| C | H53 | sing | 1.09Å | 1.10Å | |
| C | H54 | sing | 1.09Å | 1.10Å | |
| C | H55 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C17 | N1 | 124.2° | 120.0° |
| O3 | C17 | C12 | 119.9° | 120.0° |
| O4 | C22 | C21 | 116.8° | 120.0° |
| O4 | C22 | N2 | 119.4° | 120.0° |
| C18 | C20 | C21 | 108.3° | 109.5° |
| C20 | C18 | C19 | 113.7° | 109.5° |
| C20 | C18 | N1 | 109.3° | 109.5° |
| C18 | C20 | H19 | 109.8° | 109.5° |
| C18 | C20 | H20 | 109.8° | 109.5° |
| C20 | C18 | H21 | 107.0° | 109.5° |
| C20 | C21 | C22 | 110.7° | 109.5° |
| C20 | C21 | H17 | 109.1° | 109.5° |
| C20 | C21 | H18 | 109.2° | 109.5° |
| C21 | C20 | H19 | 109.7° | 109.4° |
| C21 | C20 | H20 | 109.8° | 109.5° |
| C19 | C18 | N1 | 111.5° | 109.5° |
| C19 | C18 | H21 | 107.1° | 109.5° |
| C18 | C19 | H22 | 109.5° | 109.4° |
| C18 | C19 | H23 | 109.4° | 109.5° |
| C18 | C19 | H24 | 109.5° | 109.5° |
| C18 | N1 | C17 | 118.9° | 120.0° |
| N1 | C18 | H21 | 108.0° | 109.4° |
| C18 | N1 | H25 | 120.5° | 120.0° |
| C9 | C8 | C10 | 106.1° | 109.5° |
| C9 | C8 | C7 | 113.5° | 109.4° |
| C9 | C8 | H39 | 107.6° | 109.5° |
| C8 | C9 | H43 | 109.5° | 109.5° |
| C8 | C9 | H44 | 109.4° | 109.5° |
| C8 | C9 | H45 | 109.5° | 109.5° |
| C10 | C8 | C7 | 114.1° | 109.5° |
| C10 | C8 | H39 | 107.7° | 109.5° |
| C8 | C10 | H40 | 109.5° | 109.5° |
| C8 | C10 | H41 | 109.4° | 109.5° |
| C8 | C10 | H42 | 109.5° | 109.5° |
| N1 | C17 | C12 | 115.8° | 120.0° |
| C17 | N1 | H25 | 120.5° | 120.0° |
| C17 | C12 | C13 | 107.0° | 109.5° |
| C17 | C12 | N | 111.1° | 109.4° |
| C17 | C12 | H26 | 109.1° | 109.5° |
| C21 | C22 | N2 | 123.8° | 120.0° |
| C22 | C21 | H17 | 109.2° | 109.5° |
| C22 | C21 | H18 | 109.1° | 109.5° |
| C22 | N2 | C23 | 117.6° | 126.4° |
| C22 | N2 | C26 | 126.3° | 126.4° |
| C16 | C14 | C13 | 111.1° | 109.5° |
| C16 | C14 | C15 | 109.8° | 109.4° |
| C16 | C14 | H29 | 107.6° | 109.5° |
| C14 | C16 | H30 | 109.5° | 109.5° |
| C14 | C16 | H31 | 109.4° | 109.5° |
| C14 | C16 | H32 | 109.4° | 109.4° |
| C12 | C13 | C14 | 111.6° | 109.5° |
| C13 | C12 | N | 111.2° | 109.5° |
| C13 | C12 | H26 | 108.7° | 109.5° |
| C12 | C13 | H27 | 108.9° | 109.5° |
| C12 | C13 | H28 | 108.9° | 109.4° |
| C13 | C14 | C15 | 113.0° | 109.5° |
| C14 | C13 | H27 | 109.0° | 109.5° |
| C14 | C13 | H28 | 109.0° | 109.5° |
| C13 | C14 | H29 | 107.5° | 109.5° |
| C28 | C23 | N2 | 114.7° | 110.3° |
| C28 | C23 | C24 | 112.3° | 110.7° |
| C28 | C23 | H13 | 110.8° | 110.4° |
| C23 | C28 | H14 | 109.5° | 109.5° |
| C23 | C28 | H15 | 109.5° | 109.5° |
| C23 | C28 | H16 | 109.5° | 109.5° |
| C8 | C7 | C6 | 115.1° | 109.4° |
| C8 | C7 | H37 | 108.0° | 109.5° |
| C8 | C7 | H38 | 108.1° | 109.5° |
| C7 | C8 | H39 | 107.5° | 109.5° |
| N2 | C23 | C24 | 95.0° | 104.9° |
| C23 | N2 | C26 | 116.0° | 107.2° |
| N2 | C23 | H13 | 111.7° | 110.4° |
| C23 | C24 | O6 | 122.4° | 126.9° |
| C23 | C24 | C25 | 115.6° | 106.3° |
| C24 | C23 | H13 | 111.4° | 110.0° |
| C12 | N | C11 | 122.4° | 120.0° |
| N | C12 | H26 | 109.6° | 109.5° |
| C12 | N | H36 | 118.8° | 120.0° |
| N | C11 | C6 | 118.6° | 120.0° |
| N | C11 | O2 | 123.6° | 120.0° |
| C11 | N | H36 | 118.8° | 120.0° |
| C15 | C14 | H29 | 107.5° | 109.5° |
| C14 | C15 | H33 | 109.5° | 109.5° |
| C14 | C15 | H34 | 109.5° | 109.5° |
| C14 | C15 | H35 | 109.5° | 109.5° |
| N2 | C26 | O5 | 128.1° | 124.4° |
| N2 | C26 | C25 | 109.5° | 111.1° |
| C7 | C6 | C11 | 111.4° | 109.5° |
| C7 | C6 | O1 | 111.2° | 109.5° |
| C7 | C6 | H8 | 109.0° | 109.5° |
| C6 | C7 | H37 | 108.0° | 109.4° |
| C6 | C7 | H38 | 108.0° | 109.5° |
| C27 | O6 | C24 | 122.7° | 117.0° |
| O6 | C27 | H10 | 109.5° | 109.5° |
| O6 | C27 | H11 | 109.5° | 109.5° |
| O6 | C27 | H12 | 109.5° | 109.5° |
| C6 | C11 | O2 | 117.7° | 120.0° |
| C11 | C6 | O1 | 105.1° | 109.4° |
| C11 | C6 | H8 | 109.6° | 109.4° |
| C6 | O1 | C5 | 118.5° | 117.0° |
| O1 | C6 | H8 | 110.5° | 109.5° |
| O6 | C24 | C25 | 122.0° | 126.8° |
| C24 | C25 | C26 | 103.9° | 110.5° |
| C24 | C25 | H9 | 128.0° | 124.7° |
| O5 | C26 | C25 | 122.3° | 124.4° |
| C26 | C25 | H9 | 128.1° | 124.7° |
| O1 | C5 | O | 120.5° | 120.0° |
| O1 | C5 | C4 | 115.4° | 120.0° |
| O | C5 | C4 | 124.1° | 120.0° |
| C30 | N3 | C4 | 110.3° | 111.0° |
| C30 | N3 | C29 | 108.9° | 111.0° |
| N3 | C30 | H47 | 109.5° | 109.5° |
| N3 | C30 | H48 | 109.5° | 109.5° |
| N3 | C30 | H49 | 109.5° | 109.5° |
| C5 | C4 | N3 | 108.9° | 109.5° |
| C5 | C4 | C2 | 116.9° | 109.5° |
| C5 | C4 | H7 | 106.1° | 109.4° |
| C4 | N3 | C29 | 112.4° | 111.0° |
| N3 | C4 | C2 | 112.0° | 109.5° |
| N3 | C4 | H7 | 106.5° | 109.5° |
| N3 | C29 | H50 | 109.5° | 109.5° |
| N3 | C29 | H51 | 109.4° | 109.5° |
| N3 | C29 | H52 | 109.5° | 109.5° |
| C4 | C2 | C3 | 116.4° | 109.5° |
| C4 | C2 | C1 | 112.1° | 109.5° |
| C4 | C2 | H3 | 106.1° | 109.5° |
| C2 | C4 | H7 | 105.7° | 109.5° |
| C3 | C2 | C1 | 108.8° | 109.5° |
| C3 | C2 | H3 | 106.5° | 109.5° |
| C2 | C3 | H4 | 109.5° | 109.5° |
| C2 | C3 | H5 | 109.5° | 109.4° |
| C2 | C3 | H6 | 109.5° | 109.4° |
| C2 | C1 | C | 112.3° | 109.5° |
| C2 | C1 | H1 | 108.8° | 109.4° |
| C2 | C1 | H2 | 108.8° | 109.5° |
| C1 | C2 | H3 | 106.4° | 109.5° |
| C | C1 | H1 | 108.8° | 109.5° |
| C | C1 | H2 | 108.8° | 109.5° |
| C1 | C | H53 | 109.5° | 109.5° |
| C1 | C | H54 | 109.5° | 109.5° |
| C1 | C | H55 | 109.5° | 109.5° |
| H1 | C1 | H2 | 109.4° | 109.4° |
| H4 | C3 | H5 | 109.5° | 109.5° |
| H4 | C3 | H6 | 109.5° | 109.5° |
| H5 | C3 | H6 | 109.5° | 109.5° |
| H10 | C27 | H11 | 109.5° | 109.4° |
| H10 | C27 | H12 | 109.5° | 109.4° |
| H11 | C27 | H12 | 109.4° | 109.5° |
| H14 | C28 | H15 | 109.5° | 109.4° |
| H14 | C28 | H16 | 109.4° | 109.5° |
| H15 | C28 | H16 | 109.5° | 109.4° |
| H17 | C21 | H18 | 109.5° | 109.5° |
| H19 | C20 | H20 | 109.5° | 109.5° |
| H22 | C19 | H23 | 109.5° | 109.5° |
| H22 | C19 | H24 | 109.5° | 109.5° |
| H23 | C19 | H24 | 109.5° | 109.5° |
| H27 | C13 | H28 | 109.4° | 109.5° |
| H30 | C16 | H31 | 109.5° | 109.5° |
| H30 | C16 | H32 | 109.4° | 109.5° |
| H31 | C16 | H32 | 109.5° | 109.5° |
| H33 | C15 | H34 | 109.5° | 109.4° |
| H33 | C15 | H35 | 109.4° | 109.5° |
| H34 | C15 | H35 | 109.5° | 109.4° |
| H37 | C7 | H38 | 109.5° | 109.5° |
| H40 | C10 | H41 | 109.5° | 109.5° |
| H40 | C10 | H42 | 109.5° | 109.5° |
| H41 | C10 | H42 | 109.5° | 109.4° |
| H43 | C9 | H44 | 109.5° | 109.4° |
| H43 | C9 | H45 | 109.5° | 109.5° |
| H44 | C9 | H45 | 109.4° | 109.5° |
| H47 | C30 | H48 | 109.4° | 109.5° |
| H47 | C30 | H49 | 109.5° | 109.4° |
| H48 | C30 | H49 | 109.5° | 109.5° |
| H50 | C29 | H51 | 109.5° | 109.5° |
| H50 | C29 | H52 | 109.4° | 109.5° |
| H51 | C29 | H52 | 109.5° | 109.5° |
| H53 | C | H54 | 109.4° | 109.5° |
| H53 | C | H55 | 109.5° | 109.5° |
| H54 | C | H55 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C17 | N1 | C18 | 0.9° | 0.0° |
| O3 | C17 | N1 | C12 | 179.2° | 180.0° |
| O3 | C17 | C12 | C13 | 82.8° | 120.0° |
| O3 | C17 | C12 | N | 38.8° | 0.0° |
| O3 | C17 | N1 | H25 | 179.1° | 180.0° |
| O3 | C17 | C12 | H26 | 159.8° | 120.0° |
| O4 | C22 | C21 | C20 | 4.6° | 0.0° |
| O4 | C22 | C21 | N2 | 178.6° | 179.9° |
| O4 | C22 | N2 | C23 | 0.4° | 0.1° |
| O4 | C22 | N2 | C26 | 180.0° | 179.6° |
| O4 | C22 | C21 | H17 | 124.8° | 120.0° |
| O4 | C22 | C21 | H18 | 115.6° | 120.0° |
| C18 | C20 | C21 | H19 | 119.8° | 120.0° |
| C18 | C20 | C21 | H20 | 119.8° | 120.0° |
| C20 | C18 | C19 | N1 | 124.1° | 120.0° |
| C20 | C18 | C19 | H21 | 118.0° | 120.0° |
| C20 | C18 | N1 | H21 | 116.1° | 120.0° |
| C20 | C18 | N1 | C17 | 116.3° | 155.0° |
| C18 | C20 | C21 | C22 | 114.7° | 180.0° |
| C18 | C20 | C21 | H17 | 5.5° | 60.0° |
| C18 | C20 | C21 | H18 | 125.1° | 60.0° |
| C18 | C20 | H19 | H20 | 120.6° | 120.1° |
| C20 | C18 | C19 | H22 | 180.0° | 60.0° |
| C20 | C18 | C19 | H23 | 60.0° | 180.0° |
| C20 | C18 | C19 | H24 | 60.0° | 60.0° |
| C20 | C18 | N1 | H25 | 63.7° | 25.0° |
| C21 | C20 | C18 | C19 | 53.3° | 175.0° |
| C21 | C20 | C18 | N1 | 72.0° | 65.0° |
| C20 | C21 | C22 | H17 | 120.2° | 120.0° |
| C20 | C21 | C22 | H18 | 120.2° | 120.0° |
| C20 | C21 | C22 | N2 | 174.0° | 180.0° |
| C20 | C21 | H17 | H18 | 119.4° | 120.0° |
| C21 | C20 | H19 | H20 | 120.6° | 120.0° |
| C21 | C20 | C18 | H21 | 171.3° | 55.0° |
| C19 | C18 | N1 | H21 | 117.4° | 120.0° |
| C19 | C18 | N1 | C17 | 117.2° | 85.0° |
| C19 | C18 | C20 | H19 | 173.1° | 65.0° |
| C19 | C18 | C20 | H20 | 66.5° | 55.0° |
| C18 | C19 | H22 | H23 | 120.0° | 120.0° |
| C18 | C19 | H22 | H24 | 120.0° | 120.0° |
| C18 | C19 | H23 | H24 | 120.0° | 120.0° |
| C19 | C18 | N1 | H25 | 62.8° | 95.0° |
| C18 | N1 | C17 | H25 | 180.0° | 179.9° |
| C18 | N1 | C17 | C12 | 178.2° | 180.0° |
| N1 | C18 | C20 | H19 | 47.8° | 55.0° |
| N1 | C18 | C20 | H20 | 168.2° | 175.0° |
| N1 | C18 | C19 | H22 | 55.9° | 180.0° |
| N1 | C18 | C19 | H23 | 64.1° | 60.0° |
| N1 | C18 | C19 | H24 | 175.9° | 60.0° |
| C9 | C8 | C10 | C7 | 125.7° | 120.0° |
| C9 | C8 | C10 | H39 | 115.0° | 120.0° |
| C9 | C8 | C7 | H39 | 118.9° | 120.0° |
| C9 | C8 | C7 | C6 | 163.6° | 173.4° |
| C9 | C8 | C7 | H37 | 42.8° | 66.6° |
| C9 | C8 | C7 | H38 | 75.6° | 53.4° |
| C9 | C8 | C10 | H40 | 180.0° | 63.3° |
| C9 | C8 | C10 | H41 | 60.0° | 176.7° |
| C9 | C8 | C10 | H42 | 60.0° | 56.7° |
| C8 | C9 | H43 | H44 | 120.0° | 120.0° |
| C8 | C9 | H43 | H45 | 120.0° | 120.0° |
| C8 | C9 | H44 | H45 | 120.0° | 120.0° |
| C10 | C8 | C7 | H39 | 119.4° | 120.0° |
| C10 | C8 | C7 | C6 | 41.9° | 66.6° |
| C10 | C8 | C7 | H37 | 78.9° | 53.3° |
| C10 | C8 | C7 | H38 | 162.7° | 173.4° |
| C8 | C10 | H40 | H41 | 120.0° | 120.0° |
| C8 | C10 | H40 | H42 | 120.0° | 120.0° |
| C8 | C10 | H41 | H42 | 120.0° | 120.0° |
| C10 | C8 | C9 | H43 | 180.0° | 180.0° |
| C10 | C8 | C9 | H44 | 60.0° | 60.0° |
| C10 | C8 | C9 | H45 | 60.0° | 60.0° |
| N1 | C17 | C12 | C13 | 96.4° | 60.0° |
| N1 | C17 | C12 | N | 142.0° | 180.0° |
| C17 | N1 | C18 | H21 | 0.2° | 35.0° |
| N1 | C17 | C12 | H26 | 21.0° | 60.0° |
| C17 | C12 | C13 | N | 121.5° | 120.0° |
| C17 | C12 | C13 | H26 | 117.7° | 120.0° |
| C17 | C12 | C13 | C14 | 171.3° | 175.0° |
| C17 | C12 | N | H26 | 120.7° | 120.0° |
| C17 | C12 | N | C11 | 87.6° | 155.0° |
| C12 | C17 | N1 | H25 | 1.8° | 0.0° |
| C17 | C12 | C13 | H27 | 51.0° | 65.0° |
| C17 | C12 | C13 | H28 | 68.4° | 55.0° |
| C17 | C12 | N | H36 | 92.5° | 25.0° |
| C21 | C22 | N2 | C23 | 178.1° | 180.0° |
| C21 | C22 | N2 | C26 | 1.4° | 0.4° |
| C22 | C21 | H17 | H18 | 119.4° | 120.0° |
| C22 | C21 | C20 | H19 | 125.5° | 60.0° |
| C22 | C21 | C20 | H20 | 5.1° | 60.0° |
| C22 | N2 | C23 | C28 | 62.7° | 60.8° |
| C22 | N2 | C23 | C26 | 179.6° | 179.7° |
| C22 | N2 | C23 | C24 | 180.0° | 179.9° |
| C22 | N2 | C26 | O5 | 0.3° | 0.2° |
| C22 | N2 | C26 | C25 | 179.6° | 179.9° |
| C22 | N2 | C23 | H13 | 64.6° | 61.4° |
| N2 | C22 | C21 | H17 | 53.8° | 60.0° |
| N2 | C22 | C21 | H18 | 65.8° | 59.9° |
| C16 | C14 | C13 | C12 | 174.0° | 175.0° |
| C16 | C14 | C13 | C15 | 124.0° | 120.0° |
| C16 | C14 | C13 | H29 | 117.6° | 120.0° |
| C16 | C14 | C15 | H29 | 116.8° | 120.0° |
| C16 | C14 | C13 | H27 | 53.7° | 55.0° |
| C16 | C14 | C13 | H28 | 65.7° | 65.0° |
| C14 | C16 | H30 | H31 | 120.0° | 120.0° |
| C14 | C16 | H30 | H32 | 120.0° | 119.9° |
| C14 | C16 | H31 | H32 | 120.0° | 120.0° |
| C16 | C14 | C15 | H33 | 180.0° | 60.0° |
| C16 | C14 | C15 | H34 | 60.0° | 60.0° |
| C16 | C14 | C15 | H35 | 60.0° | 180.0° |
| C12 | C13 | C14 | H27 | 120.3° | 120.0° |
| C12 | C13 | C14 | H28 | 120.3° | 120.0° |
| C13 | C12 | N | H26 | 120.2° | 120.0° |
| C13 | C12 | N | C11 | 153.4° | 85.0° |
| C12 | C13 | C14 | C15 | 62.0° | 65.0° |
| C12 | C13 | H27 | H28 | 119.0° | 120.0° |
| C12 | C13 | C14 | H29 | 56.4° | 55.0° |
| C13 | C12 | N | H36 | 26.6° | 95.0° |
| C14 | C13 | C12 | N | 49.8° | 65.0° |
| C13 | C14 | C15 | H29 | 118.5° | 120.1° |
| C14 | C13 | C12 | H26 | 71.0° | 55.0° |
| C14 | C13 | H27 | H28 | 119.1° | 120.1° |
| C13 | C14 | C16 | H30 | 180.0° | 60.0° |
| C13 | C14 | C16 | H31 | 60.0° | 180.0° |
| C13 | C14 | C16 | H32 | 60.0° | 60.0° |
| C13 | C14 | C15 | H33 | 55.3° | 180.0° |
| C13 | C14 | C15 | H34 | 175.3° | 59.9° |
| C13 | C14 | C15 | H35 | 64.7° | 60.0° |
| C28 | C23 | N2 | C24 | 117.3° | 119.2° |
| C28 | C23 | N2 | H13 | 127.3° | 122.3° |
| C28 | C23 | C24 | H13 | 125.0° | 122.3° |
| C28 | C23 | N2 | C26 | 117.0° | 118.9° |
| C28 | C23 | C24 | O6 | 60.5° | 61.1° |
| C28 | C23 | C24 | C25 | 118.7° | 118.8° |
| C23 | C28 | H14 | H15 | 120.0° | 120.0° |
| C23 | C28 | H14 | H16 | 120.0° | 120.0° |
| C23 | C28 | H15 | H16 | 120.0° | 120.0° |
| C8 | C7 | C6 | H37 | 120.8° | 120.0° |
| C8 | C7 | C6 | H38 | 120.8° | 120.0° |
| C8 | C7 | C6 | C11 | 152.9° | 65.2° |
| C8 | C7 | C6 | O1 | 90.2° | 174.9° |
| C8 | C7 | C6 | H8 | 31.8° | 54.8° |
| C8 | C7 | H37 | H38 | 117.5° | 120.1° |
| C7 | C8 | C10 | H40 | 54.3° | 176.7° |
| C7 | C8 | C10 | H41 | 174.3° | 56.7° |
| C7 | C8 | C10 | H42 | 65.7° | 63.2° |
| C7 | C8 | C9 | H43 | 53.9° | 60.0° |
| C7 | C8 | C9 | H44 | 66.1° | 180.0° |
| C7 | C8 | C9 | H45 | 174.0° | 60.0° |
| N2 | C23 | C24 | H13 | 115.7° | 118.7° |
| N2 | C23 | C24 | O6 | 179.9° | 179.8° |
| N2 | C23 | C24 | C25 | 0.6° | 0.2° |
| C23 | N2 | C26 | O5 | 179.9° | 179.9° |
| C23 | N2 | C26 | C25 | 0.0° | 0.4° |
| N2 | C23 | C28 | H14 | 180.0° | 60.0° |
| N2 | C23 | C28 | H15 | 60.0° | 180.0° |
| N2 | C23 | C28 | H16 | 60.0° | 60.0° |
| C24 | C23 | N2 | C26 | 0.4° | 0.4° |
| C23 | C24 | O6 | C27 | 12.9° | 180.0° |
| C23 | C24 | O6 | C25 | 179.2° | 179.9° |
| C23 | C24 | C25 | C26 | 0.7° | 0.0° |
| C23 | C24 | C25 | H9 | 179.3° | 180.0° |
| C24 | C23 | C28 | H14 | 73.0° | 55.7° |
| C24 | C23 | C28 | H15 | 167.0° | 64.3° |
| C24 | C23 | C28 | H16 | 47.0° | 175.7° |
| C12 | N | C11 | H36 | 180.0° | 180.0° |
| C12 | N | C11 | C6 | 178.9° | 177.4° |
| C12 | N | C11 | O2 | 0.9° | 2.7° |
| N | C12 | C13 | H27 | 70.6° | 55.0° |
| N | C12 | C13 | H28 | 170.1° | 175.0° |
| N | C11 | C6 | C7 | 102.2° | 78.0° |
| N | C11 | C6 | O2 | 178.1° | 180.0° |
| N | C11 | C6 | O1 | 137.3° | 162.0° |
| N | C11 | C6 | H8 | 18.5° | 42.1° |
| C11 | N | C12 | H26 | 33.2° | 35.1° |
| C15 | C14 | C13 | H27 | 177.7° | 175.0° |
| C15 | C14 | C13 | H28 | 58.3° | 55.0° |
| C15 | C14 | C16 | H30 | 54.2° | 60.0° |
| C15 | C14 | C16 | H31 | 174.2° | 60.0° |
| C15 | C14 | C16 | H32 | 65.8° | 180.0° |
| C14 | C15 | H33 | H34 | 120.0° | 120.1° |
| C14 | C15 | H33 | H35 | 120.0° | 120.1° |
| C14 | C15 | H34 | H35 | 120.0° | 120.0° |
| N2 | C26 | C25 | C24 | 0.4° | 0.2° |
| N2 | C26 | O5 | C25 | 179.9° | 179.7° |
| N2 | C26 | C25 | H9 | 179.6° | 179.7° |
| C26 | N2 | C23 | H13 | 115.8° | 118.9° |
| C7 | C6 | C11 | O1 | 120.5° | 120.0° |
| C7 | C6 | C11 | H8 | 120.8° | 120.1° |
| C7 | C6 | C11 | O2 | 79.7° | 102.0° |
| C7 | C6 | O1 | H8 | 121.2° | 120.1° |
| C7 | C6 | O1 | C5 | 149.6° | 92.8° |
| C6 | C7 | H37 | H38 | 117.5° | 120.0° |
| C6 | C7 | C8 | H39 | 77.5° | 53.4° |
| C27 | O6 | C24 | C25 | 167.9° | 0.1° |
| O6 | C27 | H10 | H11 | 120.0° | 120.0° |
| O6 | C27 | H10 | H12 | 120.0° | 120.0° |
| O6 | C27 | H11 | H12 | 120.0° | 120.0° |
| C11 | C6 | O1 | H8 | 118.1° | 119.9° |
| C11 | C6 | O1 | C5 | 89.7° | 147.2° |
| C6 | C11 | N | H36 | 1.1° | 2.6° |
| C11 | C6 | C7 | H37 | 32.1° | 174.8° |
| C11 | C6 | C7 | H38 | 86.3° | 54.8° |
| O2 | C11 | C6 | O1 | 40.8° | 18.0° |
| O2 | C11 | C6 | H8 | 159.5° | 138.0° |
| O2 | C11 | N | H36 | 179.0° | 177.4° |
| C6 | O1 | C5 | O | 21.1° | 5.2° |
| C6 | O1 | C5 | C4 | 157.7° | 174.9° |
| O1 | C6 | C7 | H37 | 149.0° | 54.9° |
| O1 | C6 | C7 | H38 | 30.6° | 65.1° |
| O6 | C24 | C25 | C26 | 179.9° | 179.9° |
| O6 | C24 | C25 | H9 | 0.1° | 0.1° |
| C24 | O6 | C27 | H10 | 180.0° | 60.1° |
| C24 | O6 | C27 | H11 | 60.0° | 59.9° |
| C24 | O6 | C27 | H12 | 60.0° | 179.9° |
| O6 | C24 | C23 | H13 | 64.4° | 61.1° |
| C24 | C25 | C26 | O5 | 179.7° | 180.0° |
| C24 | C25 | C26 | H9 | 180.0° | 180.0° |
| C25 | C24 | C23 | H13 | 116.3° | 119.0° |
| O5 | C26 | C25 | H9 | 0.3° | 0.0° |
| O1 | C5 | O | C4 | 178.7° | 180.0° |
| O1 | C5 | C4 | N3 | 98.8° | 162.3° |
| O1 | C5 | C4 | C2 | 133.0° | 77.8° |
| O1 | C5 | C4 | H7 | 15.5° | 42.3° |
| C5 | O1 | C6 | H8 | 28.4° | 27.3° |
| O | C5 | C4 | N3 | 80.0° | 17.8° |
| O | C5 | C4 | C2 | 48.2° | 102.2° |
| O | C5 | C4 | H7 | 165.8° | 137.8° |
| C30 | N3 | C4 | C5 | 56.3° | 57.4° |
| C30 | N3 | C4 | C29 | 121.8° | 124.0° |
| C30 | N3 | C4 | C2 | 172.7° | 177.4° |
| C30 | N3 | C4 | H7 | 57.6° | 62.5° |
| N3 | C30 | H47 | H48 | 120.0° | 120.0° |
| N3 | C30 | H47 | H49 | 120.0° | 120.0° |
| N3 | C30 | H48 | H49 | 120.0° | 120.0° |
| C30 | N3 | C29 | H50 | 180.0° | 173.1° |
| C30 | N3 | C29 | H51 | 60.0° | 66.9° |
| C30 | N3 | C29 | H52 | 60.0° | 53.1° |
| C5 | C4 | N3 | C2 | 130.9° | 120.0° |
| C5 | C4 | N3 | H7 | 114.0° | 120.0° |
| C5 | C4 | N3 | C29 | 178.2° | 66.5° |
| C5 | C4 | C2 | H7 | 117.7° | 120.0° |
| C5 | C4 | C2 | C3 | 5.8° | 65.0° |
| C5 | C4 | C2 | C1 | 120.4° | 175.0° |
| C5 | C4 | C2 | H3 | 124.0° | 55.0° |
| N3 | C4 | C2 | H7 | 115.5° | 120.1° |
| N3 | C4 | C2 | C3 | 120.9° | 175.1° |
| N3 | C4 | C2 | C1 | 112.9° | 55.1° |
| N3 | C4 | C2 | H3 | 2.7° | 64.9° |
| C4 | N3 | C30 | H47 | 180.0° | 65.2° |
| C4 | N3 | C30 | H48 | 60.0° | 174.8° |
| C4 | N3 | C30 | H49 | 60.0° | 54.7° |
| C4 | N3 | C29 | H50 | 57.4° | 49.2° |
| C4 | N3 | C29 | H51 | 62.7° | 169.1° |
| C4 | N3 | C29 | H52 | 177.3° | 70.8° |
| C29 | N3 | C4 | C2 | 50.9° | 53.5° |
| C29 | N3 | C4 | H7 | 64.2° | 173.5° |
| C29 | N3 | C30 | H47 | 56.1° | 58.8° |
| C29 | N3 | C30 | H48 | 63.9° | 61.2° |
| C29 | N3 | C30 | H49 | 176.1° | 178.7° |
| N3 | C29 | H50 | H51 | 120.0° | 120.0° |
| N3 | C29 | H50 | H52 | 120.0° | 120.0° |
| N3 | C29 | H51 | H52 | 120.0° | 120.0° |
| C4 | C2 | C3 | C1 | 127.8° | 120.0° |
| C4 | C2 | C3 | H3 | 118.0° | 120.0° |
| C4 | C2 | C1 | H3 | 115.5° | 120.0° |
| C4 | C2 | C1 | C | 127.7° | 174.9° |
| C4 | C2 | C1 | H1 | 111.9° | 65.1° |
| C4 | C2 | C1 | H2 | 7.3° | 54.8° |
| C4 | C2 | C3 | H4 | 180.0° | 180.0° |
| C4 | C2 | C3 | H5 | 60.0° | 60.0° |
| C4 | C2 | C3 | H6 | 60.0° | 60.0° |
| C3 | C2 | C1 | H3 | 114.3° | 120.0° |
| C3 | C2 | C1 | C | 102.1° | 65.1° |
| C3 | C2 | C1 | H1 | 18.3° | 54.9° |
| C3 | C2 | C1 | H2 | 137.5° | 174.8° |
| C2 | C3 | H4 | H5 | 120.0° | 120.0° |
| C2 | C3 | H4 | H6 | 120.0° | 119.9° |
| C2 | C3 | H5 | H6 | 120.0° | 119.9° |
| C3 | C2 | C4 | H7 | 123.5° | 55.0° |
| C2 | C1 | C | H1 | 120.4° | 120.0° |
| C2 | C1 | C | H2 | 120.4° | 120.0° |
| C2 | C1 | H1 | H2 | 118.7° | 119.9° |
| C1 | C2 | C3 | H4 | 52.2° | 59.9° |
| C1 | C2 | C3 | H5 | 172.2° | 180.0° |
| C1 | C2 | C3 | H6 | 67.8° | 60.0° |
| C1 | C2 | C4 | H7 | 2.6° | 65.0° |
| C2 | C1 | C | H53 | 180.0° | 180.0° |
| C2 | C1 | C | H54 | 60.0° | 60.0° |
| C2 | C1 | C | H55 | 60.0° | 60.0° |
| C | C1 | H1 | H2 | 118.7° | 120.0° |
| C | C1 | C2 | H3 | 12.2° | 54.9° |
| C1 | C | H53 | H54 | 120.0° | 120.0° |
| C1 | C | H53 | H55 | 120.0° | 120.0° |
| C1 | C | H54 | H55 | 120.0° | 120.0° |
| H1 | C1 | C2 | H3 | 132.6° | 174.9° |
| H1 | C1 | C | H53 | 59.6° | 60.0° |
| H1 | C1 | C | H54 | 179.5° | 180.0° |
| H1 | C1 | C | H55 | 60.5° | 60.0° |
| H2 | C1 | C2 | H3 | 108.2° | 65.2° |
| H2 | C1 | C | H53 | 59.5° | 60.0° |
| H2 | C1 | C | H54 | 60.4° | 60.0° |
| H2 | C1 | C | H55 | 179.6° | 180.0° |
| H3 | C2 | C3 | H4 | 62.0° | 60.0° |
| H3 | C2 | C3 | H5 | 58.0° | 60.0° |
| H3 | C2 | C3 | H6 | 178.0° | 180.0° |
| H3 | C2 | C4 | H7 | 118.3° | 175.0° |
| H4 | C3 | H5 | H6 | 120.0° | 120.1° |
| H8 | C6 | C7 | H37 | 89.0° | 65.2° |
| H8 | C6 | C7 | H38 | 152.6° | 174.8° |
| H10 | C27 | H11 | H12 | 120.0° | 119.9° |
| H13 | C23 | C28 | H14 | 52.3° | 177.7° |
| H13 | C23 | C28 | H15 | 67.7° | 57.7° |
| H13 | C23 | C28 | H16 | 172.3° | 62.3° |
| H14 | C28 | H15 | H16 | 120.0° | 120.0° |
| H17 | C21 | C20 | H19 | 114.3° | 180.0° |
| H17 | C21 | C20 | H20 | 125.3° | 60.0° |
| H18 | C21 | C20 | H19 | 5.3° | 60.0° |
| H18 | C21 | C20 | H20 | 115.1° | 180.0° |
| H19 | C20 | C18 | H21 | 68.9° | 174.9° |
| H20 | C20 | C18 | H21 | 51.5° | 65.0° |
| H21 | C18 | C19 | H22 | 62.0° | 60.0° |
| H21 | C18 | C19 | H23 | 178.0° | 60.0° |
| H21 | C18 | C19 | H24 | 58.0° | 180.0° |
| H21 | C18 | N1 | H25 | 179.8° | 145.0° |
| H22 | C19 | H23 | H24 | 120.0° | 120.0° |
| H26 | C12 | C13 | H27 | 168.6° | 175.0° |
| H26 | C12 | C13 | H28 | 49.3° | 65.0° |
| H26 | C12 | N | H36 | 146.8° | 145.0° |
| H27 | C13 | C14 | H29 | 63.9° | 65.0° |
| H28 | C13 | C14 | H29 | 176.7° | 175.0° |
| H29 | C14 | C16 | H30 | 62.5° | 180.0° |
| H29 | C14 | C16 | H31 | 57.5° | 60.0° |
| H29 | C14 | C16 | H32 | 177.5° | 60.0° |
| H29 | C14 | C15 | H33 | 63.2° | 60.0° |
| H29 | C14 | C15 | H34 | 56.8° | 180.0° |
| H29 | C14 | C15 | H35 | 176.8° | 60.1° |
| H30 | C16 | H31 | H32 | 120.0° | 120.0° |
| H33 | C15 | H34 | H35 | 119.9° | 119.9° |
| H37 | C7 | C8 | H39 | 161.8° | 173.4° |
| H38 | C7 | C8 | H39 | 43.3° | 66.6° |
| H39 | C8 | C10 | H40 | 65.0° | 56.7° |
| H39 | C8 | C10 | H41 | 55.1° | 63.3° |
| H39 | C8 | C10 | H42 | 175.0° | 176.7° |
| H39 | C8 | C9 | H43 | 64.9° | 60.0° |
| H39 | C8 | C9 | H44 | 175.1° | 60.0° |
| H39 | C8 | C9 | H45 | 55.1° | 180.0° |
| H40 | C10 | H41 | H42 | 120.0° | 120.0° |
| H43 | C9 | H44 | H45 | 120.0° | 120.0° |
| H47 | C30 | H48 | H49 | 120.0° | 120.0° |
| H50 | C29 | H51 | H52 | 120.0° | 120.0° |
| H53 | C | H54 | H55 | 120.0° | 120.1° |
