CGM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | N | sing | 1.47Å | 1.46Å | |
| C14 | N | sing | 1.47Å | 1.45Å | |
| N | C13 | sing | 1.47Å | 1.47Å | |
| O5 | C16 | sing | 1.43Å | 1.44Å | |
| C16 | C13 | sing | 1.53Å | 1.51Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C12 | O4 | sing | 1.43Å | 1.41Å | |
| C12 | C11 | sing | 1.53Å | 1.52Å | |
| C18 | C17 | sing | 1.53Å | 1.51Å | |
| C17 | O6 | sing | 1.43Å | 1.42Å | |
| O6 | C11 | sing | 1.43Å | 1.44Å | |
| C11 | O3 | sing | 1.43Å | 1.42Å | |
| O3 | C10 | sing | 1.43Å | 1.45Å | |
| C24 | C23 | sing | 1.53Å | 1.53Å | |
| C22 | C23 | sing | 1.53Å | 1.54Å | |
| C22 | C19 | sing | 1.53Å | 1.52Å | |
| C20 | C19 | sing | 1.53Å | 1.54Å | |
| C20 | C21 | sing | 1.51Å | 1.52Å | |
| C23 | C25 | sing | 1.51Å | 1.50Å | |
| C10 | C19 | sing | 1.53Å | 1.53Å | |
| C10 | C8 | sing | 1.53Å | 1.52Å | |
| C9 | C8 | sing | 1.53Å | 1.52Å | |
| C21 | O7 | doub | 1.21Å | 1.22Å | |
| C8 | C7 | sing | 1.53Å | 1.52Å | |
| C25 | O8 | doub | 1.21Å | 1.22Å | |
| C25 | C26 | sing | 1.41Å | 1.48Å | |
| C26 | C27 | doub | 1.36Å | 1.34Å | |
| C7 | O2 | sing | 1.43Å | 1.42Å | |
| C7 | C6 | sing | 1.53Å | 1.52Å | |
| C6 | C5 | sing | 1.51Å | 1.53Å | |
| C27 | C28 | sing | 1.46Å | 1.49Å | |
| C29 | C28 | sing | 1.51Å | 1.50Å | |
| C28 | C30 | doub | 1.34Å | 1.35Å | |
| C5 | O1 | doub | 1.21Å | 1.23Å | |
| C5 | O | sing | 1.34Å | 1.45Å | |
| O | C2 | sing | 1.45Å | 1.40Å | |
| C30 | C | sing | 1.51Å | 1.51Å | |
| C | C2 | sing | 1.53Å | 1.51Å | |
| C | C1 | sing | 1.53Å | 1.52Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C3 | C4 | sing | 1.53Å | 1.50Å | |
| C6 | H1 | sing | 1.09Å | 1.10Å | |
| C6 | H2 | sing | 1.09Å | 1.10Å | |
| C8 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | 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 | |
| C26 | H8 | sing | 1.08Å | 1.08Å | |
| C27 | H9 | sing | 1.08Å | 1.08Å | |
| C29 | H10 | sing | 1.09Å | 1.10Å | |
| C29 | H11 | sing | 1.09Å | 1.10Å | |
| C29 | H12 | sing | 1.09Å | 1.10Å | |
| C30 | H13 | sing | 1.08Å | 1.08Å | |
| C | H14 | sing | 1.09Å | 1.10Å | |
| C1 | H15 | sing | 1.09Å | 1.10Å | |
| C1 | H16 | sing | 1.09Å | 1.10Å | |
| C1 | H17 | sing | 1.09Å | 1.10Å | |
| C23 | H18 | sing | 1.09Å | 1.10Å | |
| C24 | H19 | sing | 1.09Å | 1.10Å | |
| C24 | H20 | sing | 1.09Å | 1.10Å | |
| C24 | H21 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H23 | sing | 1.09Å | 1.10Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| C20 | H25 | sing | 1.09Å | 1.10Å | |
| C20 | H26 | sing | 1.09Å | 1.10Å | |
| C21 | H27 | sing | 1.08Å | 1.08Å | |
| C10 | H28 | sing | 1.09Å | 1.10Å | |
| C11 | H29 | sing | 1.09Å | 1.10Å | |
| C17 | H30 | sing | 1.09Å | 1.10Å | |
| C18 | H31 | sing | 1.09Å | 1.10Å | |
| C18 | H32 | sing | 1.09Å | 1.10Å | |
| C18 | H33 | sing | 1.09Å | 1.10Å | |
| C16 | H34 | sing | 1.09Å | 1.10Å | |
| O5 | H35 | sing | 0.97Å | 0.95Å | |
| C13 | H36 | sing | 1.09Å | 1.10Å | |
| C15 | H38 | sing | 1.09Å | 1.10Å | |
| C15 | H39 | sing | 1.09Å | 1.10Å | |
| C15 | H40 | sing | 1.09Å | 1.10Å | |
| C14 | H41 | sing | 1.09Å | 1.10Å | |
| C14 | H42 | sing | 1.09Å | 1.10Å | |
| C14 | H43 | sing | 1.09Å | 1.10Å | |
| C12 | H44 | sing | 1.09Å | 1.10Å | |
| O4 | H45 | sing | 0.97Å | 0.95Å | |
| C9 | H46 | sing | 1.09Å | 1.10Å | |
| C9 | H47 | sing | 1.09Å | 1.10Å | |
| C9 | H48 | sing | 1.09Å | 1.10Å | |
| C7 | H49 | sing | 1.09Å | 1.10Å | |
| O2 | H50 | sing | 0.97Å | 0.95Å | |
| C3 | H51 | sing | 1.09Å | 1.10Å | |
| C3 | H52 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | N | C14 | 104.5° | 111.0° |
| C15 | N | C13 | 113.1° | 111.0° |
| N | C15 | H38 | 109.5° | 109.5° |
| N | C15 | H39 | 109.4° | 109.4° |
| N | C15 | H40 | 109.4° | 109.5° |
| C14 | N | C13 | 113.1° | 111.1° |
| N | C14 | H41 | 109.5° | 109.5° |
| N | C14 | H42 | 109.5° | 109.5° |
| N | C14 | H43 | 109.5° | 109.5° |
| N | C13 | C16 | 110.4° | 109.6° |
| N | C13 | C12 | 109.3° | 109.6° |
| N | C13 | H36 | 110.4° | 109.6° |
| O5 | C16 | C13 | 110.2° | 109.5° |
| O5 | C16 | C17 | 106.0° | 109.6° |
| O5 | C16 | H34 | 111.6° | 109.6° |
| C16 | O5 | H35 | 109.5° | 114.0° |
| C13 | C16 | C17 | 108.0° | 109.2° |
| C16 | C13 | C12 | 107.2° | 109.0° |
| C13 | C16 | H34 | 110.5° | 109.5° |
| C16 | C13 | H36 | 109.8° | 109.5° |
| C16 | C17 | C18 | 110.6° | 109.5° |
| C16 | C17 | O6 | 111.2° | 109.4° |
| C16 | C17 | H30 | 107.8° | 109.5° |
| C17 | C16 | H34 | 110.2° | 109.5° |
| C13 | C12 | O4 | 111.3° | 109.5° |
| C13 | C12 | C11 | 111.8° | 109.1° |
| C12 | C13 | H36 | 109.6° | 109.5° |
| C13 | C12 | H44 | 107.6° | 109.5° |
| O4 | C12 | C11 | 109.1° | 109.5° |
| O4 | C12 | H44 | 109.1° | 109.5° |
| C12 | O4 | H45 | 109.5° | 114.0° |
| C12 | C11 | O6 | 110.5° | 109.4° |
| C12 | C11 | O3 | 106.0° | 109.4° |
| C12 | C11 | H29 | 108.9° | 109.5° |
| C11 | C12 | H44 | 107.8° | 109.6° |
| C18 | C17 | O6 | 109.9° | 109.5° |
| C18 | C17 | H30 | 107.9° | 109.5° |
| C17 | C18 | H31 | 109.5° | 109.5° |
| C17 | C18 | H32 | 109.5° | 109.4° |
| C17 | C18 | H33 | 109.5° | 109.4° |
| C17 | O6 | C11 | 109.6° | 114.1° |
| O6 | C17 | H30 | 109.2° | 109.4° |
| O6 | C11 | O3 | 111.2° | 109.5° |
| O6 | C11 | H29 | 109.9° | 109.5° |
| C11 | O3 | C10 | 111.9° | 114.0° |
| O3 | C11 | H29 | 110.3° | 109.5° |
| O3 | C10 | C19 | 114.8° | 109.5° |
| O3 | C10 | C8 | 106.1° | 109.5° |
| O3 | C10 | H28 | 108.7° | 109.5° |
| C24 | C23 | C22 | 108.2° | 109.5° |
| C24 | C23 | C25 | 111.2° | 109.5° |
| C24 | C23 | H18 | 109.4° | 109.5° |
| C23 | C24 | H19 | 109.5° | 109.4° |
| C23 | C24 | H20 | 109.5° | 109.5° |
| C23 | C24 | H21 | 109.5° | 109.4° |
| C23 | C22 | C19 | 115.8° | 109.4° |
| C22 | C23 | C25 | 108.9° | 109.5° |
| C22 | C23 | H18 | 109.3° | 109.5° |
| C23 | C22 | H22 | 107.9° | 109.5° |
| C23 | C22 | H23 | 107.9° | 109.5° |
| C22 | C19 | C20 | 116.4° | 109.4° |
| C22 | C19 | C10 | 107.8° | 109.5° |
| C19 | C22 | H22 | 107.9° | 109.5° |
| C19 | C22 | H23 | 107.9° | 109.5° |
| C22 | C19 | H24 | 107.9° | 109.5° |
| C19 | C20 | C21 | 107.3° | 109.5° |
| C20 | C19 | C10 | 109.1° | 109.5° |
| C20 | C19 | H24 | 107.6° | 109.5° |
| C19 | C20 | H25 | 110.0° | 109.5° |
| C19 | C20 | H26 | 110.0° | 109.4° |
| C20 | C21 | O7 | 117.6° | 120.0° |
| C21 | C20 | H25 | 110.0° | 109.5° |
| C21 | C20 | H26 | 110.0° | 109.5° |
| C20 | C21 | H27 | 121.2° | 120.0° |
| C23 | C25 | O8 | 121.4° | 120.0° |
| C23 | C25 | C26 | 119.0° | 120.0° |
| C25 | C23 | H18 | 109.7° | 109.5° |
| C19 | C10 | C8 | 111.6° | 109.4° |
| C10 | C19 | H24 | 107.8° | 109.5° |
| C19 | C10 | H28 | 107.7° | 109.5° |
| C10 | C8 | C9 | 108.0° | 109.4° |
| C10 | C8 | C7 | 112.0° | 109.5° |
| C10 | C8 | H3 | 108.6° | 109.5° |
| C8 | C10 | H28 | 107.8° | 109.5° |
| C9 | C8 | C7 | 111.2° | 109.5° |
| C9 | C8 | H3 | 108.5° | 109.5° |
| C8 | C9 | H46 | 109.5° | 109.4° |
| C8 | C9 | H47 | 109.5° | 109.5° |
| C8 | C9 | H48 | 109.5° | 109.5° |
| O7 | C21 | H27 | 121.2° | 120.0° |
| C8 | C7 | O2 | 106.1° | 109.5° |
| C8 | C7 | C6 | 109.4° | 109.4° |
| C7 | C8 | H3 | 108.5° | 109.5° |
| C8 | C7 | H49 | 110.5° | 109.5° |
| O8 | C25 | C26 | 119.3° | 119.9° |
| C25 | C26 | C27 | 116.8° | 119.8° |
| C25 | C26 | H8 | 121.6° | 120.0° |
| C26 | C27 | C28 | 123.7° | 120.5° |
| C27 | C26 | H8 | 121.6° | 120.2° |
| C26 | C27 | H9 | 118.2° | 119.7° |
| O2 | C7 | C6 | 108.1° | 109.4° |
| O2 | C7 | H49 | 112.1° | 109.5° |
| C7 | O2 | H50 | 109.5° | 114.0° |
| C7 | C6 | C5 | 118.2° | 109.4° |
| C7 | C6 | H1 | 107.3° | 109.5° |
| C7 | C6 | H2 | 107.3° | 109.5° |
| C6 | C7 | H49 | 110.5° | 109.5° |
| C6 | C5 | O1 | 126.2° | 120.0° |
| C6 | C5 | O | 112.2° | 120.0° |
| C5 | C6 | H1 | 107.2° | 109.5° |
| C5 | C6 | H2 | 107.3° | 109.5° |
| C27 | C28 | C29 | 122.5° | 119.9° |
| C27 | C28 | C30 | 116.1° | 120.4° |
| C28 | C27 | H9 | 118.1° | 119.8° |
| C29 | C28 | C30 | 121.3° | 119.8° |
| C28 | C29 | H10 | 109.5° | 109.5° |
| C28 | C29 | H11 | 109.5° | 109.5° |
| C28 | C29 | H12 | 109.5° | 109.4° |
| C28 | C30 | C | 122.7° | 119.6° |
| C28 | C30 | H13 | 118.7° | 120.2° |
| O1 | C5 | O | 121.6° | 120.0° |
| C5 | O | C2 | 117.1° | 116.9° |
| O | C2 | C | 107.8° | 109.6° |
| O | C2 | C3 | 107.0° | 109.4° |
| O | C2 | H7 | 111.9° | 109.4° |
| C30 | C | C2 | 110.5° | 109.7° |
| C30 | C | C1 | 109.5° | 109.5° |
| C | C30 | H13 | 118.6° | 120.1° |
| C30 | C | H14 | 109.4° | 109.4° |
| C2 | C | C1 | 108.8° | 109.5° |
| C | C2 | C3 | 109.9° | 109.5° |
| C | C2 | H7 | 110.2° | 109.5° |
| C2 | C | H14 | 109.3° | 109.5° |
| C1 | C | H14 | 109.2° | 109.4° |
| C | C1 | H15 | 109.5° | 109.5° |
| C | C1 | H16 | 109.5° | 109.4° |
| C | C1 | H17 | 109.5° | 109.4° |
| C2 | C3 | C4 | 108.9° | 109.5° |
| C3 | C2 | H7 | 109.9° | 109.4° |
| C2 | C3 | H51 | 109.6° | 109.5° |
| C2 | C3 | H52 | 109.6° | 109.5° |
| C3 | C4 | H4 | 109.5° | 109.5° |
| C3 | C4 | H5 | 109.5° | 109.4° |
| C3 | C4 | H6 | 109.5° | 109.5° |
| C4 | C3 | H51 | 109.6° | 109.4° |
| C4 | C3 | H52 | 109.6° | 109.5° |
| H1 | C6 | H2 | 109.5° | 109.5° |
| H4 | C4 | H5 | 109.4° | 109.5° |
| H4 | C4 | H6 | 109.4° | 109.5° |
| H5 | C4 | H6 | 109.5° | 109.4° |
| H10 | C29 | H11 | 109.4° | 109.5° |
| H10 | C29 | H12 | 109.4° | 109.4° |
| H11 | C29 | H12 | 109.5° | 109.5° |
| H15 | C1 | H16 | 109.5° | 109.5° |
| H15 | C1 | H17 | 109.5° | 109.5° |
| H16 | C1 | H17 | 109.4° | 109.4° |
| H19 | C24 | H20 | 109.4° | 109.5° |
| H19 | C24 | H21 | 109.5° | 109.5° |
| H20 | C24 | H21 | 109.5° | 109.5° |
| H22 | C22 | H23 | 109.5° | 109.5° |
| H25 | C20 | H26 | 109.5° | 109.5° |
| H31 | C18 | H32 | 109.5° | 109.5° |
| H31 | C18 | H33 | 109.4° | 109.5° |
| H32 | C18 | H33 | 109.5° | 109.5° |
| H38 | C15 | H39 | 109.5° | 109.4° |
| H38 | C15 | H40 | 109.5° | 109.5° |
| H39 | C15 | H40 | 109.5° | 109.6° |
| H41 | C14 | H42 | 109.5° | 109.5° |
| H41 | C14 | H43 | 109.5° | 109.4° |
| H42 | C14 | H43 | 109.5° | 109.4° |
| H46 | C9 | H47 | 109.5° | 109.5° |
| H46 | C9 | H48 | 109.5° | 109.5° |
| H47 | C9 | H48 | 109.5° | 109.5° |
| H51 | C3 | H52 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | N | C14 | C13 | 123.4° | 123.9° |
| C15 | N | C13 | C16 | 80.8° | 47.9° |
| C15 | N | C13 | C12 | 37.0° | 71.7° |
| C15 | N | C13 | H36 | 157.6° | 168.0° |
| N | C15 | H38 | H39 | 120.0° | 119.9° |
| N | C15 | H38 | H40 | 120.0° | 120.0° |
| N | C15 | H39 | H40 | 120.0° | 120.0° |
| C15 | N | C14 | H41 | 180.0° | 176.1° |
| C15 | N | C14 | H42 | 60.0° | 56.0° |
| C15 | N | C14 | H43 | 60.0° | 64.0° |
| C14 | N | C13 | C16 | 160.7° | 76.1° |
| C14 | N | C13 | C12 | 81.5° | 164.3° |
| C14 | N | C13 | H36 | 39.1° | 44.1° |
| C14 | N | C15 | H38 | 180.0° | 57.9° |
| C14 | N | C15 | H39 | 60.0° | 61.9° |
| C14 | N | C15 | H40 | 60.0° | 178.0° |
| N | C14 | H41 | H42 | 120.0° | 120.1° |
| N | C14 | H41 | H43 | 120.0° | 120.0° |
| N | C14 | H42 | H43 | 120.0° | 120.0° |
| N | C13 | C16 | O5 | 68.5° | 63.2° |
| N | C13 | C16 | C12 | 119.0° | 119.9° |
| N | C13 | C16 | H36 | 122.0° | 120.2° |
| N | C13 | C16 | C17 | 176.1° | 176.9° |
| N | C13 | C12 | H36 | 121.1° | 120.2° |
| N | C13 | C12 | O4 | 62.5° | 63.2° |
| N | C13 | C12 | C11 | 175.3° | 176.9° |
| N | C13 | C16 | H34 | 55.4° | 57.0° |
| C13 | N | C15 | H38 | 56.6° | 66.1° |
| C13 | N | C15 | H39 | 176.6° | 174.1° |
| C13 | N | C15 | H40 | 63.4° | 54.0° |
| C13 | N | C14 | H41 | 56.6° | 60.0° |
| C13 | N | C14 | H42 | 63.4° | 180.0° |
| C13 | N | C14 | H43 | 176.7° | 60.0° |
| N | C13 | C12 | H44 | 57.1° | 56.9° |
| O5 | C16 | C13 | C17 | 115.4° | 120.0° |
| O5 | C16 | C13 | H34 | 123.9° | 120.2° |
| O5 | C16 | C17 | H34 | 121.0° | 120.2° |
| O5 | C16 | C13 | C12 | 172.5° | 176.9° |
| O5 | C16 | C17 | C18 | 55.6° | 62.5° |
| O5 | C16 | C17 | O6 | 178.1° | 177.5° |
| O5 | C16 | C17 | H30 | 62.2° | 57.6° |
| O5 | C16 | C13 | H36 | 53.5° | 57.0° |
| C13 | C16 | C17 | H34 | 120.9° | 119.9° |
| C16 | C13 | C12 | H36 | 119.1° | 119.8° |
| C16 | C13 | C12 | O4 | 177.8° | 176.9° |
| C16 | C13 | C12 | C11 | 55.5° | 57.0° |
| C13 | C16 | C17 | C18 | 173.8° | 177.6° |
| C13 | C16 | C17 | O6 | 63.7° | 57.6° |
| C13 | C16 | C17 | H30 | 56.0° | 62.4° |
| C13 | C16 | O5 | H35 | 180.0° | 180.0° |
| C16 | C13 | C12 | H44 | 62.7° | 63.0° |
| C17 | C16 | C13 | C12 | 57.0° | 57.0° |
| C16 | C17 | C18 | O6 | 123.2° | 120.0° |
| C16 | C17 | C18 | H30 | 117.7° | 120.1° |
| C16 | C17 | O6 | H30 | 118.8° | 120.0° |
| C16 | C17 | O6 | C11 | 63.8° | 61.1° |
| C16 | C17 | C18 | H31 | 180.0° | 180.0° |
| C16 | C17 | C18 | H32 | 60.0° | 60.1° |
| C16 | C17 | C18 | H33 | 60.0° | 59.9° |
| C17 | C16 | O5 | H35 | 63.3° | 60.3° |
| C17 | C16 | C13 | H36 | 61.9° | 62.9° |
| C13 | C12 | O4 | C11 | 123.8° | 119.6° |
| C13 | C12 | O4 | H44 | 118.6° | 120.1° |
| C13 | C12 | C11 | H44 | 118.1° | 119.9° |
| C13 | C12 | C11 | O6 | 56.4° | 57.6° |
| C13 | C12 | C11 | O3 | 176.9° | 177.6° |
| C13 | C12 | C11 | H29 | 64.5° | 62.4° |
| C12 | C13 | C16 | H34 | 63.6° | 62.9° |
| C13 | C12 | O4 | H45 | 180.0° | 180.0° |
| O4 | C12 | C11 | H44 | 118.4° | 120.2° |
| O4 | C12 | C11 | O6 | 179.9° | 177.5° |
| O4 | C12 | C11 | O3 | 59.6° | 62.5° |
| O4 | C12 | C11 | H29 | 59.1° | 57.5° |
| O4 | C12 | C13 | H36 | 58.7° | 57.0° |
| C12 | C11 | O6 | C17 | 59.2° | 61.2° |
| C12 | C11 | O6 | O3 | 117.3° | 119.9° |
| C12 | C11 | O6 | H29 | 120.2° | 120.0° |
| C12 | C11 | O3 | H29 | 117.7° | 120.0° |
| C12 | C11 | O3 | C10 | 177.2° | 174.1° |
| C11 | C12 | C13 | H36 | 63.6° | 62.9° |
| C11 | C12 | O4 | H45 | 56.2° | 60.3° |
| C18 | C17 | O6 | H30 | 118.3° | 120.0° |
| C18 | C17 | O6 | C11 | 173.3° | 178.8° |
| C17 | C18 | H31 | H32 | 120.0° | 119.9° |
| C17 | C18 | H31 | H33 | 120.0° | 120.0° |
| C17 | C18 | H32 | H33 | 120.0° | 120.0° |
| C18 | C17 | C16 | H34 | 65.3° | 57.7° |
| C17 | O6 | C11 | O3 | 176.5° | 178.9° |
| C17 | O6 | C11 | H29 | 61.0° | 58.9° |
| O6 | C17 | C18 | H31 | 56.7° | 60.0° |
| O6 | C17 | C18 | H32 | 176.7° | 180.0° |
| O6 | C17 | C18 | H33 | 63.3° | 60.0° |
| O6 | C17 | C16 | H34 | 57.2° | 62.3° |
| O6 | C11 | O3 | H29 | 122.2° | 120.0° |
| O6 | C11 | O3 | C10 | 62.7° | 65.9° |
| C11 | O6 | C17 | H30 | 55.0° | 58.8° |
| O6 | C11 | C12 | H44 | 61.7° | 62.3° |
| C11 | O3 | C10 | C19 | 110.8° | 95.1° |
| C11 | O3 | C10 | C8 | 125.5° | 144.9° |
| C11 | O3 | C10 | H28 | 9.8° | 24.9° |
| O3 | C11 | C12 | H44 | 58.8° | 57.7° |
| O3 | C10 | C19 | C22 | 46.0° | 119.7° |
| O3 | C10 | C19 | C20 | 81.2° | 120.3° |
| O3 | C10 | C19 | C8 | 120.7° | 120.0° |
| O3 | C10 | C19 | H28 | 121.2° | 120.0° |
| O3 | C10 | C8 | H28 | 116.3° | 120.1° |
| O3 | C10 | C8 | C9 | 43.4° | 17.3° |
| O3 | C10 | C8 | C7 | 166.2° | 137.2° |
| O3 | C10 | C8 | H3 | 74.1° | 102.7° |
| O3 | C10 | C19 | H24 | 162.2° | 0.3° |
| C10 | O3 | C11 | H29 | 59.5° | 54.1° |
| C24 | C23 | C22 | C25 | 121.0° | 120.0° |
| C24 | C23 | C22 | H18 | 119.0° | 120.0° |
| C24 | C23 | C22 | C19 | 175.4° | 9.0° |
| C24 | C23 | C25 | H18 | 121.1° | 120.0° |
| C24 | C23 | C25 | O8 | 131.6° | 67.6° |
| C24 | C23 | C25 | C26 | 54.8° | 112.4° |
| C23 | C24 | H19 | H20 | 120.0° | 120.0° |
| C23 | C24 | H19 | H21 | 120.0° | 119.9° |
| C23 | C24 | H20 | H21 | 120.0° | 120.0° |
| C24 | C23 | C22 | H22 | 54.5° | 110.9° |
| C24 | C23 | C22 | H23 | 63.7° | 129.0° |
| C23 | C22 | C19 | H22 | 120.9° | 120.0° |
| C23 | C22 | C19 | H23 | 120.9° | 120.0° |
| C23 | C22 | C19 | C20 | 70.8° | 81.8° |
| C22 | C23 | C25 | H18 | 119.7° | 120.0° |
| C23 | C22 | C19 | C10 | 166.4° | 158.2° |
| C22 | C23 | C25 | O8 | 109.2° | 172.4° |
| C22 | C23 | C25 | C26 | 64.4° | 7.6° |
| C22 | C23 | C24 | H19 | 180.0° | 148.8° |
| C22 | C23 | C24 | H20 | 60.0° | 91.1° |
| C22 | C23 | C24 | H21 | 60.0° | 28.9° |
| C23 | C22 | H22 | H23 | 117.1° | 120.0° |
| C23 | C22 | C19 | H24 | 50.2° | 38.2° |
| C22 | C19 | C20 | C10 | 122.1° | 120.0° |
| C22 | C19 | C20 | H24 | 121.2° | 120.0° |
| C22 | C19 | C20 | C21 | 154.9° | 65.4° |
| C19 | C22 | C23 | C25 | 54.4° | 111.0° |
| C22 | C19 | C10 | H24 | 116.2° | 120.0° |
| C22 | C19 | C10 | C8 | 74.7° | 120.3° |
| C19 | C22 | C23 | H18 | 65.6° | 129.0° |
| C19 | C22 | H22 | H23 | 117.2° | 120.0° |
| C22 | C19 | C20 | H25 | 85.4° | 174.6° |
| C22 | C19 | C20 | H26 | 35.3° | 54.6° |
| C22 | C19 | C10 | H28 | 167.2° | 0.3° |
| C19 | C20 | C21 | H25 | 119.6° | 120.0° |
| C19 | C20 | C21 | H26 | 119.7° | 120.0° |
| C20 | C19 | C10 | H24 | 116.6° | 120.0° |
| C20 | C19 | C10 | C8 | 158.1° | 0.3° |
| C19 | C20 | C21 | O7 | 64.1° | 122.4° |
| C20 | C19 | C22 | H22 | 168.3° | 158.2° |
| C20 | C19 | C22 | H23 | 50.1° | 38.2° |
| C19 | C20 | H25 | H26 | 121.0° | 119.9° |
| C19 | C20 | C21 | H27 | 115.9° | 57.6° |
| C20 | C19 | C10 | H28 | 40.0° | 119.6° |
| C21 | C20 | C19 | C10 | 82.9° | 174.6° |
| C20 | C21 | O7 | H27 | 180.0° | 180.0° |
| C21 | C20 | C19 | H24 | 33.8° | 54.6° |
| C21 | C20 | H25 | H26 | 121.0° | 120.0° |
| C23 | C25 | O8 | C26 | 173.6° | 180.0° |
| C23 | C25 | C26 | C27 | 165.8° | 179.8° |
| C23 | C25 | C26 | H8 | 14.2° | 0.3° |
| C25 | C23 | C24 | H19 | 60.4° | 28.9° |
| C25 | C23 | C24 | H20 | 179.6° | 148.9° |
| C25 | C23 | C24 | H21 | 59.6° | 91.1° |
| C25 | C23 | C22 | H22 | 66.5° | 129.1° |
| C25 | C23 | C22 | H23 | 175.3° | 9.0° |
| C19 | C10 | C8 | H28 | 118.0° | 120.0° |
| C19 | C10 | C8 | C9 | 169.0° | 137.2° |
| C19 | C10 | C8 | C7 | 68.2° | 102.8° |
| C19 | C10 | C8 | H3 | 51.6° | 17.2° |
| C10 | C19 | C22 | H22 | 45.5° | 38.2° |
| C10 | C19 | C22 | H23 | 72.7° | 81.8° |
| C10 | C19 | C20 | H25 | 36.7° | 54.6° |
| C10 | C19 | C20 | H26 | 157.4° | 65.4° |
| C10 | C8 | C9 | C7 | 123.3° | 119.9° |
| C10 | C8 | C9 | H3 | 117.5° | 120.0° |
| C10 | C8 | C7 | H3 | 119.9° | 120.0° |
| C10 | C8 | C7 | O2 | 77.3° | 85.5° |
| C10 | C8 | C7 | C6 | 166.3° | 154.6° |
| C8 | C10 | C19 | H24 | 41.5° | 119.7° |
| C10 | C8 | C9 | H46 | 180.0° | 174.7° |
| C10 | C8 | C9 | H47 | 60.0° | 65.4° |
| C10 | C8 | C9 | H48 | 60.0° | 54.7° |
| C10 | C8 | C7 | H49 | 44.5° | 34.6° |
| C9 | C8 | C7 | H3 | 119.2° | 120.1° |
| C9 | C8 | C7 | O2 | 43.7° | 34.5° |
| C9 | C8 | C7 | C6 | 72.7° | 85.5° |
| C9 | C8 | C10 | H28 | 72.9° | 102.8° |
| C8 | C9 | H46 | H47 | 120.0° | 120.0° |
| C8 | C9 | H46 | H48 | 120.0° | 120.0° |
| C8 | C9 | H47 | H48 | 120.0° | 120.0° |
| C9 | C8 | C7 | H49 | 165.4° | 154.5° |
| O7 | C21 | C20 | H25 | 176.2° | 2.4° |
| O7 | C21 | C20 | H26 | 55.5° | 117.6° |
| C8 | C7 | O2 | C6 | 117.3° | 120.0° |
| C8 | C7 | O2 | H49 | 120.7° | 120.0° |
| C8 | C7 | C6 | H49 | 121.9° | 120.0° |
| C8 | C7 | C6 | C5 | 162.1° | 144.6° |
| C8 | C7 | C6 | H1 | 40.9° | 95.5° |
| C8 | C7 | C6 | H2 | 76.7° | 24.6° |
| C7 | C8 | C10 | H28 | 49.9° | 17.2° |
| C7 | C8 | C9 | H46 | 56.7° | 54.7° |
| C7 | C8 | C9 | H47 | 176.7° | 174.7° |
| C7 | C8 | C9 | H48 | 63.3° | 65.3° |
| C8 | C7 | O2 | H50 | 180.0° | 180.0° |
| O8 | C25 | C26 | C27 | 8.0° | 0.2° |
| O8 | C25 | C26 | H8 | 172.0° | 179.7° |
| O8 | C25 | C23 | H18 | 10.5° | 52.4° |
| C25 | C26 | C27 | H8 | 180.0° | 179.9° |
| C25 | C26 | C27 | C28 | 174.4° | 180.0° |
| C25 | C26 | C27 | H9 | 5.6° | 0.0° |
| C26 | C25 | C23 | H18 | 175.9° | 127.6° |
| C26 | C27 | C28 | H9 | 180.0° | 179.9° |
| C26 | C27 | C28 | C29 | 9.9° | 179.3° |
| C26 | C27 | C28 | C30 | 165.3° | 0.7° |
| O2 | C7 | C6 | H49 | 123.0° | 120.0° |
| O2 | C7 | C6 | C5 | 82.8° | 95.4° |
| O2 | C7 | C6 | H1 | 156.0° | 24.5° |
| O2 | C7 | C6 | H2 | 38.4° | 144.6° |
| O2 | C7 | C8 | H3 | 162.8° | 154.5° |
| C7 | C6 | C5 | H1 | 121.2° | 119.9° |
| C7 | C6 | C5 | H2 | 121.3° | 120.0° |
| C7 | C6 | C5 | O1 | 0.6° | 75.2° |
| C7 | C6 | C5 | O | 179.5° | 104.8° |
| C7 | C6 | H1 | H2 | 116.1° | 120.1° |
| C6 | C7 | C8 | H3 | 46.5° | 34.6° |
| C6 | C7 | O2 | H50 | 62.7° | 60.0° |
| C6 | C5 | O1 | O | 178.9° | 180.0° |
| C6 | C5 | O | C2 | 168.0° | 179.2° |
| C5 | C6 | H1 | H2 | 116.0° | 120.0° |
| C5 | C6 | C7 | H49 | 40.2° | 24.6° |
| C27 | C28 | C29 | C30 | 174.9° | 179.9° |
| C27 | C28 | C30 | C | 177.8° | 179.9° |
| C28 | C27 | C26 | H8 | 5.6° | 0.1° |
| C27 | C28 | C29 | H10 | 180.0° | 34.3° |
| C27 | C28 | C29 | H11 | 60.0° | 154.3° |
| C27 | C28 | C29 | H12 | 60.0° | 85.7° |
| C27 | C28 | C30 | H13 | 2.2° | 0.2° |
| C29 | C28 | C30 | C | 2.6° | 0.1° |
| C29 | C28 | C27 | H9 | 170.1° | 0.6° |
| C28 | C29 | H10 | H11 | 120.0° | 120.0° |
| C28 | C29 | H10 | H12 | 120.0° | 120.0° |
| C28 | C29 | H11 | H12 | 120.0° | 120.0° |
| C29 | C28 | C30 | H13 | 177.4° | 179.7° |
| C28 | C30 | C | H13 | 180.0° | 179.8° |
| C28 | C30 | C | C2 | 105.7° | 178.9° |
| C28 | C30 | C | C1 | 134.4° | 60.9° |
| C30 | C28 | C27 | H9 | 14.7° | 179.3° |
| C30 | C28 | C29 | H10 | 5.1° | 145.8° |
| C30 | C28 | C29 | H11 | 125.1° | 25.8° |
| C30 | C28 | C29 | H12 | 114.9° | 94.2° |
| C28 | C30 | C | H14 | 14.7° | 58.9° |
| O1 | C5 | O | C2 | 11.0° | 0.8° |
| O1 | C5 | C6 | H1 | 120.7° | 44.8° |
| O1 | C5 | C6 | H2 | 121.8° | 164.8° |
| C5 | O | C2 | C | 83.8° | 153.0° |
| C5 | O | C2 | C3 | 158.0° | 87.0° |
| O | C5 | C6 | H1 | 58.3° | 135.2° |
| O | C5 | C6 | H2 | 59.2° | 15.2° |
| C5 | O | C2 | H7 | 37.6° | 32.9° |
| O | C2 | C | C30 | 50.8° | 38.1° |
| O | C2 | C | C3 | 116.3° | 120.0° |
| O | C2 | C | H7 | 122.4° | 120.0° |
| O | C2 | C | C1 | 171.1° | 158.2° |
| O | C2 | C3 | H7 | 121.7° | 119.9° |
| O | C2 | C3 | C4 | 61.9° | 64.9° |
| O | C2 | C | H14 | 69.7° | 81.9° |
| O | C2 | C3 | H51 | 178.2° | 55.1° |
| O | C2 | C3 | H52 | 58.0° | 175.1° |
| C30 | C | C2 | C1 | 120.3° | 120.1° |
| C30 | C | C2 | H14 | 120.5° | 120.0° |
| C30 | C | C1 | H14 | 119.8° | 119.8° |
| C30 | C | C2 | C3 | 167.1° | 158.2° |
| C30 | C | C2 | H7 | 71.6° | 81.9° |
| C30 | C | C1 | H15 | 180.0° | 66.2° |
| C30 | C | C1 | H16 | 60.0° | 173.8° |
| C30 | C | C1 | H17 | 60.0° | 53.9° |
| C2 | C | C1 | H14 | 119.3° | 119.9° |
| C | C2 | C3 | H7 | 121.5° | 119.9° |
| C | C2 | C3 | C4 | 178.7° | 174.9° |
| C2 | C | C30 | H13 | 74.3° | 1.2° |
| C2 | C | C1 | H15 | 59.1° | 173.6° |
| C2 | C | C1 | H16 | 60.9° | 53.6° |
| C2 | C | C1 | H17 | 179.1° | 66.4° |
| C | C2 | C3 | H51 | 61.4° | 65.1° |
| C | C2 | C3 | H52 | 58.8° | 54.9° |
| C1 | C | C2 | C3 | 72.6° | 81.7° |
| C1 | C | C2 | H7 | 48.7° | 38.2° |
| C1 | C | C30 | H13 | 45.6° | 118.9° |
| C | C1 | H15 | H16 | 120.0° | 120.0° |
| C | C1 | H15 | H17 | 120.0° | 120.0° |
| C | C1 | H16 | H17 | 120.0° | 119.9° |
| C2 | C3 | C4 | H51 | 119.9° | 120.0° |
| C2 | C3 | C4 | H52 | 119.9° | 120.0° |
| C2 | C3 | C4 | H4 | 180.0° | 60.0° |
| C2 | C3 | C4 | H5 | 60.0° | 60.0° |
| C2 | C3 | C4 | H6 | 60.0° | 180.0° |
| C3 | C2 | C | H14 | 46.6° | 38.2° |
| C2 | C3 | H51 | H52 | 120.3° | 120.0° |
| C3 | C4 | H4 | H5 | 120.0° | 120.0° |
| C3 | C4 | H4 | H6 | 120.0° | 120.1° |
| C3 | C4 | H5 | H6 | 120.0° | 120.0° |
| C4 | C3 | C2 | H7 | 59.8° | 55.0° |
| C4 | C3 | H51 | H52 | 120.3° | 120.0° |
| H1 | C6 | C7 | H49 | 81.0° | 144.5° |
| H2 | C6 | C7 | H49 | 161.5° | 95.4° |
| H3 | C8 | C10 | H28 | 169.6° | 137.2° |
| H3 | C8 | C9 | H46 | 62.5° | 65.3° |
| H3 | C8 | C9 | H47 | 57.5° | 54.6° |
| H3 | C8 | C9 | H48 | 177.5° | 174.7° |
| H3 | C8 | C7 | H49 | 75.4° | 85.4° |
| H4 | C4 | H5 | H6 | 119.9° | 120.0° |
| H4 | C4 | C3 | H51 | 60.1° | 60.0° |
| H4 | C4 | C3 | H52 | 60.1° | 180.0° |
| H5 | C4 | C3 | H51 | 179.9° | 180.0° |
| H5 | C4 | C3 | H52 | 59.9° | 60.0° |
| H6 | C4 | C3 | H51 | 59.9° | 60.0° |
| H6 | C4 | C3 | H52 | 179.9° | 60.0° |
| H7 | C2 | C | H14 | 167.9° | 158.1° |
| H7 | C2 | C3 | H51 | 60.1° | 175.0° |
| H7 | C2 | C3 | H52 | 179.7° | 65.0° |
| H8 | C26 | C27 | H9 | 174.4° | 179.9° |
| H10 | C29 | H11 | H12 | 119.9° | 120.0° |
| H13 | C30 | C | H14 | 165.3° | 121.3° |
| H14 | C | C1 | H15 | 60.2° | 53.7° |
| H14 | C | C1 | H16 | 179.8° | 66.4° |
| H14 | C | C1 | H17 | 59.8° | 173.7° |
| H15 | C1 | H16 | H17 | 120.0° | 120.0° |
| H18 | C23 | C24 | H19 | 61.0° | 91.1° |
| H18 | C23 | C24 | H20 | 59.0° | 28.9° |
| H18 | C23 | C24 | H21 | 179.0° | 148.9° |
| H18 | C23 | C22 | H22 | 173.5° | 9.1° |
| H18 | C23 | C22 | H23 | 55.4° | 111.0° |
| H19 | C24 | H20 | H21 | 120.0° | 120.1° |
| H22 | C22 | C19 | H24 | 70.7° | 81.8° |
| H23 | C22 | C19 | H24 | 171.1° | 158.2° |
| H24 | C19 | C20 | H25 | 153.4° | 65.4° |
| H24 | C19 | C20 | H26 | 85.8° | 174.6° |
| H24 | C19 | C10 | H28 | 76.6° | 120.3° |
| H25 | C20 | C21 | H27 | 3.8° | 177.6° |
| H26 | C20 | C21 | H27 | 124.5° | 62.4° |
| H29 | C11 | C12 | H44 | 177.4° | 177.7° |
| H30 | C17 | C18 | H31 | 62.3° | 60.0° |
| H30 | C17 | C18 | H32 | 57.7° | 60.0° |
| H30 | C17 | C18 | H33 | 177.7° | 180.0° |
| H30 | C17 | C16 | H34 | 176.9° | 177.8° |
| H31 | C18 | H32 | H33 | 120.0° | 120.1° |
| H34 | C16 | O5 | H35 | 56.8° | 59.9° |
| H34 | C16 | C13 | H36 | 177.4° | 177.2° |
| H36 | C13 | C12 | H44 | 178.2° | 177.1° |
| H38 | C15 | H39 | H40 | 120.0° | 120.1° |
| H41 | C14 | H42 | H43 | 120.0° | 119.9° |
| H44 | C12 | O4 | H45 | 61.4° | 59.9° |
| H46 | C9 | H47 | H48 | 120.0° | 120.0° |
| H49 | C7 | O2 | H50 | 59.4° | 60.0° |
