5DP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.55Å | |
| C1 | C30 | sing | 1.53Å | 1.55Å | |
| C1 | O3 | sing | 1.43Å | 1.44Å | |
| C2 | O4 | sing | 1.43Å | 1.44Å | |
| C2 | C28 | sing | 1.53Å | 1.54Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C3 | C7 | sing | 1.53Å | 1.54Å | |
| C3 | O8 | sing | 1.43Å | 1.43Å | |
| O1 | C29 | sing | 1.43Å | 1.43Å | |
| O1 | C30 | sing | 1.43Å | 1.44Å | |
| O2 | C31 | sing | 1.43Å | 1.43Å | |
| O14 | C15 | doub | 1.21Å | 1.23Å | |
| C15 | C16 | sing | 1.51Å | 1.52Å | |
| C15 | N1 | sing | 1.35Å | 1.34Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C19 | N2 | sing | 1.46Å | 1.47Å | |
| N2 | C23 | sing | 1.34Å | 1.34Å | |
| N2 | C20 | sing | 1.34Å | 1.34Å | |
| C23 | O15 | doub | 1.21Å | 1.29Å | |
| C23 | C22 | sing | 1.51Å | 1.39Å | |
| C22 | C21 | sing | 1.54Å | 1.39Å | |
| C21 | C20 | sing | 1.51Å | 1.39Å | |
| C20 | O16 | doub | 1.21Å | 1.28Å | |
| N1 | C14 | sing | 1.47Å | 1.46Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| C13 | O13 | sing | 1.43Å | 1.43Å | |
| O13 | C12 | sing | 1.43Å | 1.43Å | |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| C11 | O12 | sing | 1.43Å | 1.43Å | |
| O12 | C10 | sing | 1.43Å | 1.43Å | |
| C10 | C9 | sing | 1.53Å | 1.53Å | |
| C9 | O11 | sing | 1.43Å | 1.43Å | |
| O11 | C6 | sing | 1.43Å | 1.43Å | |
| C6 | C5 | sing | 1.53Å | 1.53Å | |
| C6 | O6 | sing | 1.43Å | 1.44Å | |
| C5 | O10 | sing | 1.43Å | 1.43Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C4 | O9 | sing | 1.43Å | 1.43Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C7 | O6 | sing | 1.43Å | 1.44Å | |
| C8 | O7 | sing | 1.43Å | 1.44Å | |
| O8 | C29 | sing | 1.43Å | 1.44Å | |
| C29 | C28 | sing | 1.53Å | 1.53Å | |
| C30 | C31 | sing | 1.53Å | 1.53Å | |
| C28 | O5 | sing | 1.43Å | 1.44Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| O10 | HO10 | sing | 0.97Å | 0.95Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| O9 | HO9 | sing | 0.97Å | 0.95Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| O7 | HO7 | sing | 0.97Å | 0.95Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H31A | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| O5 | HO5 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C30 | 117.5° | 109.2° |
| C2 | C1 | O3 | 108.9° | 109.5° |
| C1 | C2 | O4 | 109.2° | 109.5° |
| C1 | C2 | C28 | 117.5° | 109.1° |
| C2 | C1 | H1 | 104.7° | 109.5° |
| C1 | C2 | H2 | 103.7° | 109.5° |
| C30 | C1 | O3 | 110.9° | 109.5° |
| C1 | C30 | O1 | 114.0° | 109.5° |
| C1 | C30 | C31 | 113.4° | 109.5° |
| C30 | C1 | H1 | 102.4° | 109.6° |
| C1 | C30 | H30 | 102.8° | 109.5° |
| O3 | C1 | H1 | 112.1° | 109.5° |
| C1 | O3 | HO3 | 109.5° | 114.0° |
| O4 | C2 | C28 | 108.6° | 109.6° |
| O4 | C2 | H2 | 113.5° | 109.6° |
| C2 | O4 | HO4 | 109.5° | 114.0° |
| C2 | C28 | C29 | 114.4° | 109.1° |
| C2 | C28 | O5 | 109.9° | 109.5° |
| C28 | C2 | H2 | 104.4° | 109.6° |
| C2 | C28 | H28 | 105.7° | 109.5° |
| C4 | C3 | C7 | 110.6° | 109.1° |
| C4 | C3 | O8 | 107.9° | 109.5° |
| C3 | C4 | C5 | 111.7° | 109.0° |
| C3 | C4 | O9 | 109.6° | 109.6° |
| C4 | C3 | H3 | 110.5° | 109.6° |
| C3 | C4 | H4 | 108.2° | 109.6° |
| C7 | C3 | O8 | 111.3° | 109.5° |
| C3 | C7 | C8 | 113.4° | 109.4° |
| C3 | C7 | O6 | 111.7° | 109.4° |
| C7 | C3 | H3 | 106.9° | 109.5° |
| C3 | C7 | H7 | 105.1° | 109.5° |
| C3 | O8 | C29 | 116.2° | 114.0° |
| O8 | C3 | H3 | 109.7° | 109.6° |
| C29 | O1 | C30 | 115.3° | 114.1° |
| O1 | C29 | O8 | 110.6° | 109.5° |
| O1 | C29 | C28 | 108.7° | 109.4° |
| O1 | C29 | H29 | 110.4° | 109.5° |
| O1 | C30 | C31 | 107.5° | 109.4° |
| O1 | C30 | H30 | 109.2° | 109.5° |
| O2 | C31 | C30 | 110.4° | 109.5° |
| C31 | O2 | HO2 | 109.5° | 114.0° |
| O2 | C31 | H31 | 109.2° | 109.5° |
| O2 | C31 | H31A | 109.0° | 109.4° |
| O14 | C15 | C16 | 120.5° | 120.0° |
| O14 | C15 | N1 | 123.2° | 120.1° |
| C16 | C15 | N1 | 116.2° | 120.0° |
| C15 | C16 | C17 | 111.3° | 109.5° |
| C15 | C16 | H16 | 108.9° | 109.5° |
| C15 | C16 | H16A | 108.5° | 109.5° |
| C15 | N1 | C14 | 127.7° | 120.0° |
| C15 | N1 | HN1 | 116.2° | 120.0° |
| C16 | C17 | C18 | 111.1° | 109.5° |
| C17 | C16 | H16 | 108.9° | 109.5° |
| C17 | C16 | H16A | 108.5° | 109.4° |
| C16 | C17 | H17 | 108.9° | 109.5° |
| C16 | C17 | H17A | 108.5° | 109.5° |
| C17 | C18 | C19 | 112.7° | 109.5° |
| C18 | C17 | H17 | 108.9° | 109.5° |
| C18 | C17 | H17A | 108.6° | 109.5° |
| C17 | C18 | H18 | 108.4° | 109.5° |
| C17 | C18 | H18A | 107.7° | 109.4° |
| C18 | C19 | N2 | 111.6° | 109.5° |
| C19 | C18 | H18 | 108.4° | 109.5° |
| C19 | C18 | H18A | 107.7° | 109.4° |
| C18 | C19 | H19 | 108.8° | 109.5° |
| C18 | C19 | H19A | 108.3° | 109.4° |
| C19 | N2 | C23 | 129.8° | 122.8° |
| C19 | N2 | C20 | 129.0° | 122.7° |
| N2 | C19 | H19 | 108.7° | 109.5° |
| N2 | C19 | H19A | 108.3° | 109.5° |
| C23 | N2 | C20 | 101.1° | 114.5° |
| N2 | C23 | O15 | 122.8° | 125.4° |
| N2 | C23 | C22 | 115.2° | 109.3° |
| N2 | C20 | C21 | 115.5° | 109.2° |
| N2 | C20 | O16 | 122.6° | 125.4° |
| O15 | C23 | C22 | 122.1° | 125.4° |
| C23 | C22 | C21 | 104.1° | 103.5° |
| C23 | C22 | H22 | 111.3° | 110.6° |
| C23 | C22 | H22A | 112.4° | 110.6° |
| C22 | C21 | C20 | 104.1° | 103.6° |
| C21 | C22 | H22 | 111.3° | 110.6° |
| C21 | C22 | H22A | 112.4° | 110.6° |
| C22 | C21 | H21 | 111.3° | 110.6° |
| C22 | C21 | H21A | 112.5° | 110.6° |
| C21 | C20 | O16 | 121.9° | 125.4° |
| C20 | C21 | H21 | 111.3° | 110.8° |
| C20 | C21 | H21A | 112.4° | 110.4° |
| N1 | C14 | C13 | 107.4° | 109.5° |
| C14 | N1 | HN1 | 116.2° | 120.0° |
| N1 | C14 | H14 | 110.2° | 109.4° |
| N1 | C14 | H14A | 110.7° | 109.5° |
| C14 | C13 | O13 | 111.6° | 109.5° |
| C13 | C14 | H14 | 110.2° | 109.5° |
| C13 | C14 | H14A | 110.6° | 109.5° |
| C14 | C13 | H13 | 108.8° | 109.5° |
| C14 | C13 | H13A | 108.3° | 109.5° |
| C13 | O13 | C12 | 113.7° | 114.0° |
| O13 | C13 | H13 | 108.7° | 109.4° |
| O13 | C13 | H13A | 108.3° | 109.5° |
| O13 | C12 | C11 | 109.4° | 109.4° |
| O13 | C12 | H12 | 109.5° | 109.5° |
| O13 | C12 | H12A | 109.5° | 109.5° |
| C12 | C11 | O12 | 112.6° | 109.5° |
| C11 | C12 | H12 | 109.5° | 109.4° |
| C11 | C12 | H12A | 109.6° | 109.5° |
| C12 | C11 | H11 | 108.4° | 109.4° |
| C12 | C11 | H11A | 107.7° | 109.5° |
| C11 | O12 | C10 | 114.2° | 114.0° |
| O12 | C11 | H11 | 108.4° | 109.5° |
| O12 | C11 | H11A | 107.7° | 109.5° |
| O12 | C10 | C9 | 111.9° | 109.5° |
| O12 | C10 | H10 | 108.7° | 109.5° |
| O12 | C10 | H10A | 108.1° | 109.5° |
| C10 | C9 | O11 | 111.7° | 109.5° |
| C9 | C10 | H10 | 108.7° | 109.5° |
| C9 | C10 | H10A | 108.1° | 109.5° |
| C10 | C9 | H9 | 108.8° | 109.5° |
| C10 | C9 | H9A | 108.2° | 109.5° |
| C9 | O11 | C6 | 113.9° | 114.0° |
| O11 | C9 | H9 | 108.7° | 109.5° |
| O11 | C9 | H9A | 108.3° | 109.5° |
| O11 | C6 | C5 | 110.2° | 109.5° |
| O11 | C6 | O6 | 111.0° | 109.5° |
| O11 | C6 | H6 | 108.5° | 109.5° |
| C5 | C6 | O6 | 111.0° | 109.4° |
| C6 | C5 | O10 | 111.2° | 109.5° |
| C6 | C5 | C4 | 110.0° | 109.1° |
| C5 | C6 | H6 | 108.5° | 109.5° |
| C6 | C5 | H5 | 108.3° | 109.5° |
| C6 | O6 | C7 | 116.5° | 114.1° |
| O6 | C6 | H6 | 107.6° | 109.5° |
| O10 | C5 | C4 | 110.3° | 109.5° |
| O10 | C5 | H5 | 107.9° | 109.5° |
| C5 | O10 | HO10 | 109.5° | 114.0° |
| C5 | C4 | O9 | 110.5° | 109.5° |
| C4 | C5 | H5 | 109.1° | 109.6° |
| C5 | C4 | H4 | 107.2° | 109.5° |
| O9 | C4 | H4 | 109.4° | 109.6° |
| C4 | O9 | HO9 | 109.5° | 114.1° |
| C8 | C7 | O6 | 109.1° | 109.5° |
| C7 | C8 | O7 | 110.8° | 109.4° |
| C8 | C7 | H7 | 107.8° | 109.5° |
| C7 | C8 | H8 | 109.0° | 109.5° |
| C7 | C8 | H8A | 108.7° | 109.5° |
| O6 | C7 | H7 | 109.6° | 109.5° |
| O7 | C8 | H8 | 109.0° | 109.5° |
| O7 | C8 | H8A | 108.8° | 109.5° |
| C8 | O7 | HO7 | 109.5° | 114.0° |
| O8 | C29 | C28 | 112.8° | 109.5° |
| O8 | C29 | H29 | 106.1° | 109.5° |
| C29 | C28 | O5 | 109.2° | 109.5° |
| C28 | C29 | H29 | 108.1° | 109.5° |
| C29 | C28 | H28 | 106.4° | 109.5° |
| C31 | C30 | H30 | 109.8° | 109.5° |
| C30 | C31 | H31 | 109.2° | 109.5° |
| C30 | C31 | H31A | 109.0° | 109.4° |
| O5 | C28 | H28 | 111.2° | 109.6° |
| C28 | O5 | HO5 | 109.5° | 114.0° |
| H16 | C16 | H16A | 110.9° | 109.5° |
| H17 | C17 | H17A | 110.8° | 109.4° |
| H18 | C18 | H18A | 112.0° | 109.4° |
| H19 | C19 | H19A | 111.1° | 109.5° |
| H22 | C22 | H22A | 105.4° | 110.7° |
| H21 | C21 | H21A | 105.4° | 110.6° |
| H14 | C14 | H14A | 107.8° | 109.5° |
| H13 | C13 | H13A | 111.2° | 109.5° |
| H12 | C12 | H12A | 109.4° | 109.5° |
| H11 | C11 | H11A | 112.0° | 109.4° |
| H10 | C10 | H10A | 111.4° | 109.4° |
| H9 | C9 | H9A | 111.2° | 109.4° |
| H8 | C8 | H8A | 110.5° | 109.5° |
| H31 | C31 | H31A | 110.2° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C30 | O3 | 126.2° | 119.9° |
| C2 | C1 | C30 | H1 | 114.0° | 119.9° |
| C2 | C1 | O3 | H1 | 115.4° | 120.1° |
| C1 | C2 | O4 | C28 | 129.3° | 119.6° |
| C1 | C2 | O4 | H2 | 115.2° | 120.2° |
| C1 | C2 | C28 | H2 | 114.2° | 119.9° |
| C2 | C1 | C30 | O1 | 15.1° | 57.6° |
| C1 | C2 | C28 | C29 | 18.6° | 57.0° |
| C2 | C1 | C30 | C31 | 138.6° | 177.5° |
| C1 | C2 | C28 | O5 | 104.6° | 62.9° |
| C2 | C1 | C30 | H30 | 102.9° | 62.4° |
| C2 | C1 | O3 | HO3 | 127.3° | 60.0° |
| C1 | C2 | O4 | HO4 | 116.1° | 180.0° |
| C1 | C2 | C28 | H28 | 135.3° | 176.9° |
| C30 | C1 | O3 | H1 | 113.8° | 120.2° |
| C30 | C1 | C2 | O4 | 122.8° | 62.9° |
| C30 | C1 | C2 | C28 | 1.4° | 57.0° |
| C1 | C30 | O1 | C29 | 50.2° | 61.2° |
| C1 | C30 | O1 | C31 | 126.6° | 120.0° |
| C1 | C30 | O1 | H30 | 114.3° | 120.0° |
| C1 | C30 | C31 | O2 | 55.6° | 175.0° |
| C1 | C30 | C31 | H30 | 114.4° | 120.1° |
| C30 | C1 | C2 | H2 | 115.9° | 176.9° |
| C1 | C30 | C31 | H31 | 175.6° | 65.0° |
| C1 | C30 | C31 | H31A | 64.1° | 55.0° |
| C30 | C1 | O3 | HO3 | 3.5° | 179.7° |
| O3 | C1 | C2 | O4 | 110.0° | 177.2° |
| O3 | C1 | C2 | C28 | 125.8° | 62.9° |
| O3 | C1 | C30 | O1 | 111.0° | 62.3° |
| O3 | C1 | C30 | C31 | 12.4° | 57.7° |
| O3 | C1 | C2 | H2 | 11.2° | 57.0° |
| O3 | C1 | C30 | H30 | 130.9° | 177.7° |
| O4 | C2 | C28 | H2 | 121.3° | 120.2° |
| O4 | C2 | C28 | C29 | 105.9° | 62.9° |
| O4 | C2 | C28 | O5 | 130.9° | 177.2° |
| O4 | C2 | C1 | H1 | 10.1° | 57.0° |
| O4 | C2 | C28 | H28 | 10.8° | 57.0° |
| C2 | C28 | C29 | O1 | 49.5° | 57.6° |
| C2 | C28 | C29 | O8 | 73.6° | 62.4° |
| C2 | C28 | C29 | O5 | 123.6° | 119.9° |
| C2 | C28 | C29 | H28 | 116.3° | 119.9° |
| C2 | C28 | O5 | H28 | 116.6° | 120.2° |
| C28 | C2 | C1 | H1 | 114.1° | 176.9° |
| C2 | C28 | C29 | H29 | 169.4° | 177.6° |
| C28 | C2 | O4 | HO4 | 114.6° | 60.4° |
| C2 | C28 | O5 | HO5 | 118.4° | 180.0° |
| C4 | C3 | C7 | O8 | 119.9° | 119.9° |
| C4 | C3 | C7 | H3 | 120.3° | 119.9° |
| C4 | C3 | O8 | H3 | 120.4° | 120.2° |
| C3 | C4 | C5 | C6 | 48.4° | 57.0° |
| C3 | C4 | C5 | O10 | 171.3° | 62.9° |
| C3 | C4 | C5 | O9 | 122.4° | 119.9° |
| C3 | C4 | C5 | H4 | 118.4° | 119.9° |
| C3 | C4 | O9 | H4 | 118.5° | 120.3° |
| C4 | C3 | C7 | C8 | 179.2° | 177.6° |
| C4 | C3 | C7 | O6 | 55.4° | 57.7° |
| C4 | C3 | O8 | C29 | 115.7° | 85.6° |
| C3 | C4 | C5 | H5 | 70.3° | 176.9° |
| C3 | C4 | O9 | HO9 | 38.3° | 180.0° |
| C4 | C3 | C7 | H7 | 63.3° | 62.4° |
| C7 | C3 | O8 | H3 | 118.2° | 120.2° |
| C3 | C7 | O6 | C6 | 47.6° | 61.2° |
| C7 | C3 | C4 | C5 | 6.3° | 57.0° |
| C7 | C3 | C4 | O9 | 129.2° | 176.9° |
| C3 | C7 | C8 | O6 | 125.1° | 119.9° |
| C3 | C7 | C8 | H7 | 115.9° | 120.0° |
| C3 | C7 | O6 | H7 | 116.0° | 120.0° |
| C3 | C7 | C8 | O7 | 71.4° | 175.9° |
| C7 | C3 | O8 | C29 | 122.8° | 154.8° |
| C7 | C3 | C4 | H4 | 111.5° | 62.9° |
| C3 | C7 | C8 | H8 | 168.6° | 55.9° |
| C3 | C7 | C8 | H8A | 48.0° | 64.1° |
| C3 | O8 | C29 | O1 | 169.7° | 72.7° |
| O8 | C3 | C4 | C5 | 128.2° | 176.9° |
| O8 | C3 | C4 | O9 | 108.9° | 63.3° |
| O8 | C3 | C7 | C8 | 61.0° | 62.5° |
| O8 | C3 | C7 | O6 | 175.3° | 177.5° |
| C3 | O8 | C29 | C28 | 68.3° | 167.3° |
| O8 | C3 | C4 | H4 | 10.4° | 57.0° |
| O8 | C3 | C7 | H7 | 56.5° | 57.5° |
| C3 | O8 | C29 | H29 | 49.9° | 47.3° |
| O1 | C29 | O8 | C28 | 122.0° | 120.0° |
| O1 | C29 | O8 | H29 | 119.8° | 120.0° |
| O1 | C29 | C28 | H29 | 119.9° | 120.0° |
| C29 | O1 | C30 | C31 | 176.8° | 178.9° |
| O1 | C29 | C28 | O5 | 74.1° | 62.3° |
| C29 | O1 | C30 | H30 | 64.0° | 58.9° |
| O1 | C29 | C28 | H28 | 165.8° | 177.5° |
| O1 | C30 | C31 | O2 | 177.5° | 65.1° |
| C30 | O1 | C29 | O8 | 56.4° | 58.9° |
| C30 | O1 | C29 | C28 | 68.0° | 61.1° |
| O1 | C30 | C31 | H30 | 118.7° | 120.0° |
| O1 | C30 | C1 | H1 | 129.1° | 177.5° |
| C30 | O1 | C29 | H29 | 173.6° | 178.9° |
| O1 | C30 | C31 | H31 | 57.5° | 55.0° |
| O1 | C30 | C31 | H31A | 62.9° | 175.0° |
| O2 | C31 | C30 | H31 | 120.0° | 120.1° |
| O2 | C31 | C30 | H31A | 119.6° | 119.9° |
| O2 | C31 | C30 | H30 | 58.8° | 54.9° |
| O2 | C31 | H31 | H31A | 119.6° | 120.0° |
| O14 | C15 | C16 | N1 | 179.6° | 180.0° |
| O14 | C15 | C16 | C17 | 40.7° | 0.0° |
| O14 | C15 | N1 | C14 | 0.5° | 0.0° |
| O14 | C15 | C16 | H16 | 160.8° | 120.0° |
| O14 | C15 | C16 | H16A | 78.5° | 120.0° |
| O14 | C15 | N1 | HN1 | 179.4° | 180.0° |
| C15 | C16 | C17 | H16 | 120.0° | 120.0° |
| C15 | C16 | C17 | H16A | 119.2° | 120.0° |
| C15 | C16 | C17 | C18 | 126.5° | 180.0° |
| C16 | C15 | N1 | C14 | 179.9° | 180.0° |
| C15 | C16 | H16 | H16A | 119.2° | 120.1° |
| C15 | C16 | C17 | H17 | 6.5° | 60.0° |
| C15 | C16 | C17 | H17A | 114.1° | 59.9° |
| C16 | C15 | N1 | HN1 | 0.2° | 0.0° |
| N1 | C15 | C16 | C17 | 139.6° | 180.0° |
| C15 | N1 | C14 | HN1 | 180.0° | 180.0° |
| C15 | N1 | C14 | C13 | 140.6° | 180.0° |
| N1 | C15 | C16 | H16 | 19.6° | 60.0° |
| N1 | C15 | C16 | H16A | 101.1° | 60.0° |
| C15 | N1 | C14 | H14 | 99.4° | 60.0° |
| C15 | N1 | C14 | H14A | 19.8° | 60.0° |
| C16 | C17 | C18 | H17 | 120.0° | 120.0° |
| C16 | C17 | C18 | H17A | 119.3° | 120.0° |
| C16 | C17 | C18 | C19 | 113.1° | 180.0° |
| C17 | C16 | H16 | H16A | 119.3° | 119.9° |
| C16 | C17 | H17 | H17A | 119.3° | 120.0° |
| C16 | C17 | C18 | H18 | 6.9° | 59.9° |
| C16 | C17 | C18 | H18A | 128.3° | 60.0° |
| C17 | C18 | C19 | H18 | 120.0° | 120.1° |
| C17 | C18 | C19 | H18A | 118.6° | 120.0° |
| C17 | C18 | C19 | N2 | 60.4° | 179.9° |
| C18 | C17 | C16 | H16 | 113.5° | 60.0° |
| C18 | C17 | C16 | H16A | 7.3° | 60.0° |
| C18 | C17 | H17 | H17A | 119.3° | 120.0° |
| C17 | C18 | H18 | H18A | 118.7° | 120.0° |
| C17 | C18 | C19 | H19 | 179.6° | 60.0° |
| C17 | C18 | C19 | H19A | 58.7° | 60.0° |
| C18 | C19 | N2 | H19 | 120.0° | 120.0° |
| C18 | C19 | N2 | H19A | 119.1° | 120.0° |
| C18 | C19 | N2 | C23 | 68.0° | 90.0° |
| C18 | C19 | N2 | C20 | 112.0° | 90.3° |
| C19 | C18 | C17 | H17 | 126.9° | 60.0° |
| C19 | C18 | C17 | H17A | 6.2° | 60.0° |
| C19 | C18 | H18 | H18A | 118.7° | 120.0° |
| C18 | C19 | H19 | H19A | 119.2° | 119.9° |
| C19 | N2 | C23 | C20 | 180.0° | 179.8° |
| C19 | N2 | C23 | O15 | 0.1° | 0.1° |
| C19 | N2 | C23 | C22 | 180.0° | 180.0° |
| C19 | N2 | C20 | C21 | 179.9° | 179.8° |
| C19 | N2 | C20 | O16 | 0.1° | 0.0° |
| N2 | C19 | C18 | H18 | 59.6° | 60.0° |
| N2 | C19 | C18 | H18A | 179.0° | 60.0° |
| N2 | C19 | H19 | H19A | 119.1° | 120.0° |
| N2 | C23 | O15 | C22 | 180.0° | 179.9° |
| N2 | C23 | C22 | C21 | 0.0° | 0.0° |
| C23 | N2 | C20 | C21 | 0.1° | 0.4° |
| C23 | N2 | C20 | O16 | 179.9° | 179.7° |
| C23 | N2 | C19 | H19 | 52.0° | 30.0° |
| C23 | N2 | C19 | H19A | 172.9° | 150.0° |
| N2 | C23 | C22 | H22 | 120.1° | 118.5° |
| N2 | C23 | C22 | H22A | 121.9° | 118.5° |
| C20 | N2 | C23 | O15 | 179.9° | 179.7° |
| C20 | N2 | C23 | C22 | 0.1° | 0.2° |
| N2 | C20 | C21 | C22 | 0.2° | 0.4° |
| N2 | C20 | C21 | O16 | 179.8° | 179.9° |
| C20 | N2 | C19 | H19 | 128.0° | 149.7° |
| C20 | N2 | C19 | H19A | 7.1° | 29.7° |
| N2 | C20 | C21 | H21 | 119.8° | 118.3° |
| N2 | C20 | C21 | H21A | 122.2° | 118.8° |
| O15 | C23 | C22 | C21 | 180.0° | 180.0° |
| O15 | C23 | C22 | H22 | 60.0° | 61.5° |
| O15 | C23 | C22 | H22A | 58.0° | 61.5° |
| C23 | C22 | C21 | H22 | 120.0° | 118.5° |
| C23 | C22 | C21 | H22A | 122.0° | 118.5° |
| C23 | C22 | C21 | C20 | 0.1° | 0.2° |
| C23 | C22 | H22 | H22A | 122.2° | 123.0° |
| C23 | C22 | C21 | H21 | 119.9° | 118.5° |
| C23 | C22 | C21 | H21A | 122.1° | 118.6° |
| C22 | C21 | C20 | H21 | 120.0° | 118.6° |
| C22 | C21 | C20 | H21A | 122.0° | 118.5° |
| C22 | C21 | C20 | O16 | 179.9° | 179.7° |
| C21 | C22 | H22 | H22A | 122.1° | 122.9° |
| C22 | C21 | H21 | H21A | 122.2° | 122.9° |
| C20 | C21 | C22 | H22 | 120.1° | 118.7° |
| C20 | C21 | C22 | H22A | 121.9° | 118.3° |
| C20 | C21 | H21 | H21A | 122.2° | 122.8° |
| O16 | C20 | C21 | H21 | 59.9° | 61.6° |
| O16 | C20 | C21 | H21A | 58.1° | 61.3° |
| N1 | C14 | C13 | H14 | 120.0° | 120.0° |
| N1 | C14 | C13 | H14A | 120.9° | 120.0° |
| N1 | C14 | C13 | O13 | 58.8° | 65.0° |
| N1 | C14 | H14 | H14A | 120.9° | 120.0° |
| N1 | C14 | C13 | H13 | 61.2° | 175.0° |
| N1 | C14 | C13 | H13A | 177.9° | 55.0° |
| C14 | C13 | O13 | H13 | 120.0° | 120.0° |
| C14 | C13 | O13 | H13A | 119.1° | 120.1° |
| C14 | C13 | O13 | C12 | 72.2° | 180.0° |
| C13 | C14 | N1 | HN1 | 39.4° | 0.0° |
| C13 | C14 | H14 | H14A | 120.9° | 120.0° |
| C14 | C13 | H13 | H13A | 119.2° | 120.0° |
| C13 | O13 | C12 | C11 | 141.1° | 180.0° |
| O13 | C13 | C14 | H14 | 178.8° | 54.9° |
| O13 | C13 | C14 | H14A | 62.0° | 175.0° |
| O13 | C13 | H13 | H13A | 119.1° | 120.0° |
| C13 | O13 | C12 | H12 | 98.9° | 60.0° |
| C13 | O13 | C12 | H12A | 21.1° | 60.0° |
| O13 | C12 | C11 | H12 | 120.0° | 120.0° |
| O13 | C12 | C11 | H12A | 120.0° | 120.1° |
| O13 | C12 | C11 | O12 | 168.7° | 65.0° |
| C12 | O13 | C13 | H13 | 167.8° | 60.0° |
| C12 | O13 | C13 | H13A | 46.9° | 59.9° |
| O13 | C12 | H12 | H12A | 120.0° | 120.1° |
| O13 | C12 | C11 | H11 | 48.7° | 175.0° |
| O13 | C12 | C11 | H11A | 72.6° | 55.1° |
| C12 | C11 | O12 | H11 | 120.0° | 120.0° |
| C12 | C11 | O12 | H11A | 118.7° | 120.0° |
| C12 | C11 | O12 | C10 | 77.9° | 180.0° |
| C11 | C12 | H12 | H12A | 120.1° | 120.0° |
| C12 | C11 | H11 | H11A | 118.7° | 120.0° |
| C11 | O12 | C10 | C9 | 95.4° | 180.0° |
| O12 | C11 | C12 | H12 | 71.3° | 55.0° |
| O12 | C11 | C12 | H12A | 48.7° | 175.0° |
| O12 | C11 | H11 | H11A | 118.7° | 120.0° |
| C11 | O12 | C10 | H10 | 24.6° | 59.9° |
| C11 | O12 | C10 | H10A | 145.6° | 60.0° |
| O12 | C10 | C9 | H10 | 120.0° | 120.1° |
| O12 | C10 | C9 | H10A | 119.0° | 120.0° |
| O12 | C10 | C9 | O11 | 75.9° | 65.0° |
| C10 | O12 | C11 | H11 | 162.1° | 60.0° |
| C10 | O12 | C11 | H11A | 40.8° | 60.0° |
| O12 | C10 | H10 | H10A | 119.0° | 120.0° |
| O12 | C10 | C9 | H9 | 164.2° | 175.0° |
| O12 | C10 | C9 | H9A | 43.2° | 55.0° |
| C10 | C9 | O11 | H9 | 120.0° | 120.0° |
| C10 | C9 | O11 | H9A | 119.1° | 120.0° |
| C10 | C9 | O11 | C6 | 77.0° | 180.0° |
| C9 | C10 | H10 | H10A | 119.0° | 120.0° |
| C10 | C9 | H9 | H9A | 119.1° | 120.0° |
| C9 | O11 | C6 | C5 | 155.8° | 170.0° |
| C9 | O11 | C6 | O6 | 80.9° | 70.0° |
| O11 | C9 | C10 | H10 | 44.2° | 55.0° |
| O11 | C9 | C10 | H10A | 165.2° | 174.9° |
| O11 | C9 | H9 | H9A | 119.1° | 120.0° |
| C9 | O11 | C6 | H6 | 37.2° | 50.0° |
| O11 | C6 | C5 | O6 | 123.4° | 120.0° |
| O11 | C6 | C5 | H6 | 118.6° | 120.0° |
| O11 | C6 | O6 | H6 | 118.6° | 120.0° |
| O11 | C6 | C5 | O10 | 55.4° | 177.7° |
| O11 | C6 | C5 | C4 | 177.9° | 62.4° |
| O11 | C6 | O6 | C7 | 132.4° | 58.8° |
| C6 | O11 | C9 | H9 | 43.0° | 60.0° |
| C6 | O11 | C9 | H9A | 163.9° | 60.0° |
| O11 | C6 | C5 | H5 | 63.0° | 57.6° |
| C5 | C6 | O6 | H6 | 118.6° | 120.0° |
| C6 | C5 | O10 | C4 | 122.3° | 119.7° |
| C6 | C5 | O10 | H5 | 118.6° | 120.2° |
| C6 | C5 | C4 | H5 | 118.6° | 119.9° |
| C6 | C5 | C4 | O9 | 74.0° | 176.9° |
| C5 | C6 | O6 | C7 | 9.5° | 61.2° |
| C6 | C5 | O10 | HO10 | 23.8° | 60.0° |
| C6 | C5 | C4 | H4 | 166.8° | 62.9° |
| O6 | C6 | C5 | O10 | 178.8° | 62.3° |
| O6 | C6 | C5 | C4 | 58.8° | 57.6° |
| C6 | O6 | C7 | C8 | 173.7° | 178.9° |
| O6 | C6 | C5 | H5 | 60.4° | 177.5° |
| C6 | O6 | C7 | H7 | 68.5° | 58.8° |
| O10 | C5 | C4 | H5 | 118.4° | 120.2° |
| O10 | C5 | C4 | O9 | 49.0° | 57.0° |
| O10 | C5 | C6 | H6 | 63.2° | 57.7° |
| O10 | C5 | C4 | H4 | 70.2° | 177.2° |
| C5 | C4 | O9 | H4 | 117.9° | 120.2° |
| C5 | C4 | C3 | H3 | 111.8° | 62.9° |
| C4 | C5 | C6 | H6 | 59.3° | 177.6° |
| C4 | C5 | O10 | HO10 | 98.5° | 179.7° |
| C5 | C4 | O9 | HO9 | 161.9° | 60.5° |
| O9 | C4 | C3 | H3 | 11.0° | 56.9° |
| O9 | C4 | C5 | H5 | 167.4° | 63.2° |
| C8 | C7 | O6 | H7 | 117.9° | 120.0° |
| C7 | C8 | O7 | H8 | 120.0° | 120.0° |
| C7 | C8 | O7 | H8A | 119.4° | 120.0° |
| C8 | C7 | C3 | H3 | 58.9° | 57.7° |
| C7 | C8 | H8 | H8A | 119.5° | 120.0° |
| C7 | C8 | O7 | HO7 | 175.1° | 180.0° |
| O6 | C7 | C8 | O7 | 53.7° | 64.2° |
| O6 | C7 | C3 | H3 | 64.9° | 62.3° |
| C7 | O6 | C6 | H6 | 109.0° | 178.8° |
| O6 | C7 | C8 | H8 | 66.3° | 175.8° |
| O6 | C7 | C8 | H8A | 173.2° | 55.8° |
| O7 | C8 | C7 | H7 | 172.7° | 55.9° |
| O7 | C8 | H8 | H8A | 119.5° | 120.1° |
| O8 | C29 | C28 | H29 | 117.0° | 120.0° |
| O8 | C29 | C28 | O5 | 162.8° | 177.7° |
| C29 | O8 | C3 | H3 | 4.7° | 34.6° |
| O8 | C29 | C28 | H28 | 42.7° | 57.5° |
| C29 | C28 | O5 | H28 | 117.1° | 120.1° |
| C29 | C28 | C2 | H2 | 132.8° | 176.9° |
| C29 | C28 | O5 | HO5 | 7.8° | 60.3° |
| C31 | C30 | C1 | H1 | 107.4° | 62.5° |
| C30 | C31 | O2 | HO2 | 31.7° | 180.0° |
| C30 | C31 | H31 | H31A | 119.7° | 120.0° |
| O5 | C28 | C2 | H2 | 9.6° | 57.0° |
| O5 | C28 | C29 | H29 | 45.8° | 57.7° |
| H1 | C1 | C2 | H2 | 131.3° | 63.1° |
| H1 | C1 | C30 | H30 | 11.1° | 57.5° |
| H1 | C1 | O3 | HO3 | 117.4° | 60.1° |
| H2 | C2 | O4 | HO4 | 0.9° | 59.8° |
| H2 | C2 | C28 | H28 | 110.5° | 63.2° |
| H3 | C3 | C4 | H4 | 130.3° | 177.2° |
| H3 | C3 | C7 | H7 | 176.4° | 177.7° |
| HO2 | O2 | C31 | H31 | 151.7° | 60.0° |
| HO2 | O2 | C31 | H31A | 87.9° | 60.1° |
| H16 | C16 | C17 | H17 | 126.5° | 180.0° |
| H16 | C16 | C17 | H17A | 5.9° | 60.1° |
| H16A | C16 | C17 | H17 | 112.7° | 60.0° |
| H16A | C16 | C17 | H17A | 126.6° | 180.0° |
| H17 | C17 | C18 | H18 | 113.1° | 180.0° |
| H17 | C17 | C18 | H18A | 8.3° | 60.0° |
| H17A | C17 | C18 | H18 | 126.2° | 60.1° |
| H17A | C17 | C18 | H18A | 112.4° | 179.9° |
| H18 | C18 | C19 | H19 | 60.4° | 180.0° |
| H18 | C18 | C19 | H19A | 178.7° | 60.1° |
| H18A | C18 | C19 | H19 | 61.0° | 60.0° |
| H18A | C18 | C19 | H19A | 59.9° | 180.0° |
| H22 | C22 | C21 | H21 | 0.2° | 0.0° |
| H22 | C22 | C21 | H21A | 117.9° | 122.9° |
| H22A | C22 | C21 | H21 | 118.1° | 123.0° |
| H22A | C22 | C21 | H21A | 0.1° | 0.1° |
| HN1 | N1 | C14 | H14 | 80.6° | 120.0° |
| HN1 | N1 | C14 | H14A | 160.2° | 120.0° |
| H14 | C14 | C13 | H13 | 58.8° | 65.0° |
| H14 | C14 | C13 | H13A | 62.1° | 175.0° |
| H14A | C14 | C13 | H13 | 178.0° | 55.0° |
| H14A | C14 | C13 | H13A | 57.1° | 65.0° |
| H12 | C12 | C11 | H11 | 168.7° | 65.0° |
| H12 | C12 | C11 | H11A | 47.4° | 175.0° |
| H12A | C12 | C11 | H11 | 71.3° | 54.9° |
| H12A | C12 | C11 | H11A | 167.4° | 65.0° |
| H10 | C10 | C9 | H9 | 75.8° | 65.0° |
| H10 | C10 | C9 | H9A | 163.2° | 175.1° |
| H10A | C10 | C9 | H9 | 45.2° | 55.0° |
| H10A | C10 | C9 | H9A | 75.7° | 65.0° |
| H6 | C6 | C5 | H5 | 178.4° | 62.4° |
| H5 | C5 | O10 | HO10 | 142.4° | 60.1° |
| H5 | C5 | C4 | H4 | 48.1° | 57.0° |
| H4 | C4 | O9 | HO9 | 80.3° | 59.7° |
| H7 | C7 | C8 | H8 | 52.7° | 64.1° |
| H7 | C7 | C8 | H8A | 67.8° | 175.9° |
| H8 | C8 | O7 | HO7 | 55.1° | 60.1° |
| H8A | C8 | O7 | HO7 | 65.5° | 60.0° |
| H29 | C29 | C28 | H28 | 74.3° | 62.5° |
| H30 | C30 | C31 | H31 | 61.2° | 175.0° |
| H30 | C30 | C31 | H31A | 178.4° | 65.0° |
| H28 | C28 | O5 | HO5 | 124.9° | 59.8° |
