3LG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | sing | 1.43Å | 1.42Å | |
| C1 | H11A | sing | 1.09Å | 1.10Å | |
| C1 | H12A | sing | 1.09Å | 1.10Å | |
| C1 | H13A | sing | 1.09Å | 1.10Å | |
| O1 | C2 | sing | 1.36Å | 1.41Å | |
| C2 | C3 | doub | 1.39Å | 1.42Å | Aromatic |
| C2 | C5 | sing | 1.39Å | 1.43Å | Aromatic |
| C3 | C4 | sing | 1.51Å | 1.51Å | |
| C3 | C8 | sing | 1.38Å | 1.42Å | Aromatic |
| C4 | O2 | sing | 1.43Å | 1.41Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C4 | H42 | sing | 1.09Å | 1.10Å | |
| O2 | C33 | sing | 1.43Å | 1.43Å | |
| C5 | C6 | doub | 1.38Å | 1.41Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | C7 | sing | 1.38Å | 1.41Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | C8 | doub | 1.38Å | 1.42Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C20 | C21 | sing | 1.53Å | 1.55Å | |
| C20 | N3 | sing | 1.46Å | 1.54Å | |
| C20 | C24 | sing | 1.53Å | 1.59Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | N2 | sing | 1.47Å | 1.45Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| N2 | C22 | sing | 1.47Å | 1.46Å | |
| N2 | HN2 | sing | 1.01Å | 1.00Å | |
| C22 | C23 | sing | 1.50Å | 1.55Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C23 | N3 | sing | 1.34Å | 1.39Å | |
| C23 | O5 | doub | 1.21Å | 1.23Å | |
| N3 | C26 | sing | 1.40Å | 1.39Å | |
| C24 | O6 | sing | 1.43Å | 1.41Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| O6 | C15 | sing | 1.36Å | 1.40Å | |
| C25 | C26 | sing | 1.39Å | 1.43Å | Aromatic |
| C25 | C30 | doub | 1.38Å | 1.41Å | Aromatic |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C26 | C27 | doub | 1.39Å | 1.42Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.42Å | Aromatic |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C28 | C29 | doub | 1.39Å | 1.43Å | Aromatic |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C29 | C30 | sing | 1.39Å | 1.41Å | Aromatic |
| C29 | O7 | sing | 1.36Å | 1.40Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| O7 | C31 | sing | 1.43Å | 1.42Å | |
| C31 | C32 | sing | 1.53Å | 1.54Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C32 | C33 | sing | 1.53Å | 1.55Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| N1 | C9 | sing | 1.38Å | 1.41Å | Aromatic |
| N1 | C12 | sing | 1.37Å | 1.36Å | Aromatic |
| N1 | C17 | sing | 1.46Å | 1.49Å | |
| C9 | C10 | sing | 1.41Å | 1.44Å | Aromatic |
| C9 | C13 | doub | 1.39Å | 1.41Å | Aromatic |
| C10 | C11 | sing | 1.47Å | 1.43Å | Aromatic |
| C10 | C16 | doub | 1.40Å | 1.38Å | Aromatic |
| C11 | C12 | doub | 1.34Å | 1.39Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | C14 | sing | 1.38Å | 1.42Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | C15 | doub | 1.39Å | 1.44Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | C16 | sing | 1.38Å | 1.41Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | C18 | sing | 1.51Å | 1.54Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C18 | O3 | doub | 1.34Å | 1.35Å | |
| C18 | O4 | sing | 1.21Å | 1.19Å | |
| O4 | HO4 | sing | 4.79Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | H11A | 109.5° | 109.4° |
| O1 | C1 | H12A | 109.5° | 109.4° |
| O1 | C1 | H13A | 109.5° | 109.4° |
| C1 | O1 | C2 | 115.5° | 106.7° |
| H11A | C1 | H12A | 109.4° | 109.5° |
| H11A | C1 | H13A | 109.4° | 109.5° |
| H12A | C1 | H13A | 109.5° | 109.5° |
| O1 | C2 | C3 | 119.5° | 120.0° |
| O1 | C2 | C5 | 120.3° | 120.1° |
| C3 | C2 | C5 | 120.2° | 119.9° |
| C2 | C3 | C4 | 117.6° | 120.1° |
| C2 | C3 | C8 | 118.9° | 119.9° |
| C2 | C5 | C6 | 120.4° | 120.0° |
| C2 | C5 | H5 | 119.8° | 120.1° |
| C4 | C3 | C8 | 123.5° | 120.0° |
| C3 | C4 | O2 | 117.1° | 109.5° |
| C3 | C4 | H41 | 107.0° | 109.5° |
| C3 | C4 | H42 | 105.2° | 109.5° |
| C3 | C8 | C7 | 120.5° | 120.1° |
| C3 | C8 | H8 | 119.8° | 119.9° |
| O2 | C4 | H41 | 107.0° | 109.4° |
| O2 | C4 | H42 | 105.2° | 109.5° |
| C4 | O2 | C33 | 113.5° | 106.8° |
| H41 | C4 | H42 | 115.7° | 109.5° |
| O2 | C33 | C32 | 114.4° | 109.5° |
| O2 | C33 | H331 | 107.8° | 109.5° |
| O2 | C33 | H332 | 106.7° | 109.4° |
| C6 | C5 | H5 | 119.8° | 120.0° |
| C5 | C6 | C7 | 119.8° | 120.1° |
| C5 | C6 | H6 | 120.1° | 120.0° |
| C7 | C6 | H6 | 120.1° | 120.0° |
| C6 | C7 | C8 | 120.3° | 120.1° |
| C6 | C7 | H7 | 119.8° | 120.0° |
| C8 | C7 | H7 | 119.8° | 120.0° |
| C7 | C8 | H8 | 119.8° | 120.0° |
| C21 | C20 | N3 | 114.7° | 109.6° |
| C21 | C20 | C24 | 104.8° | 109.4° |
| C21 | C20 | H20 | 111.9° | 109.5° |
| C20 | C21 | N2 | 111.6° | 108.9° |
| C20 | C21 | H211 | 108.8° | 109.6° |
| C20 | C21 | H212 | 108.3° | 109.6° |
| N3 | C20 | C24 | 116.5° | 109.4° |
| N3 | C20 | H20 | 99.0° | 109.5° |
| C20 | N3 | C23 | 124.1° | 122.0° |
| C20 | N3 | C26 | 120.3° | 119.0° |
| C24 | C20 | H20 | 110.0° | 109.5° |
| C20 | C24 | O6 | 126.8° | 109.5° |
| C20 | C24 | H241 | 104.0° | 109.4° |
| C20 | C24 | H242 | 100.0° | 109.4° |
| N2 | C21 | H211 | 108.8° | 109.5° |
| N2 | C21 | H212 | 108.3° | 109.5° |
| C21 | N2 | C22 | 119.3° | 106.5° |
| C21 | N2 | HN2 | 106.3° | 106.7° |
| H211 | C21 | H212 | 111.2° | 109.7° |
| C22 | N2 | HN2 | 106.3° | 106.7° |
| N2 | C22 | C23 | 111.7° | 110.5° |
| N2 | C22 | H221 | 108.7° | 109.3° |
| N2 | C22 | H222 | 108.2° | 109.3° |
| C23 | C22 | H221 | 108.7° | 109.5° |
| C23 | C22 | H222 | 108.2° | 109.1° |
| C22 | C23 | N3 | 118.2° | 122.5° |
| C22 | C23 | O5 | 118.0° | 118.7° |
| H221 | C22 | H222 | 111.2° | 109.2° |
| N3 | C23 | O5 | 123.8° | 118.8° |
| C23 | N3 | C26 | 115.6° | 119.0° |
| N3 | C26 | C25 | 120.9° | 120.0° |
| N3 | C26 | C27 | 120.3° | 120.0° |
| O6 | C24 | H241 | 104.1° | 109.5° |
| O6 | C24 | H242 | 100.0° | 109.5° |
| C24 | O6 | C15 | 118.2° | 106.8° |
| H241 | C24 | H242 | 124.3° | 109.5° |
| O6 | C15 | C14 | 126.8° | 119.8° |
| O6 | C15 | C16 | 114.7° | 119.9° |
| C26 | C25 | C30 | 120.9° | 120.0° |
| C26 | C25 | H25 | 119.6° | 120.0° |
| C25 | C26 | C27 | 118.8° | 119.9° |
| C30 | C25 | H25 | 119.6° | 120.0° |
| C25 | C30 | C29 | 120.5° | 120.0° |
| C25 | C30 | H30 | 119.7° | 120.0° |
| C26 | C27 | C28 | 120.2° | 120.0° |
| C26 | C27 | H27 | 119.9° | 120.0° |
| C28 | C27 | H27 | 119.9° | 120.0° |
| C27 | C28 | C29 | 120.4° | 120.0° |
| C27 | C28 | H28 | 119.8° | 120.0° |
| C29 | C28 | H28 | 119.8° | 120.0° |
| C28 | C29 | C30 | 119.2° | 120.1° |
| C28 | C29 | O7 | 123.3° | 120.0° |
| C30 | C29 | O7 | 117.6° | 119.9° |
| C29 | C30 | H30 | 119.8° | 120.0° |
| C29 | O7 | C31 | 118.8° | 106.8° |
| O7 | C31 | C32 | 108.8° | 109.4° |
| O7 | C31 | H311 | 109.7° | 109.5° |
| O7 | C31 | H312 | 109.9° | 109.5° |
| C32 | C31 | H311 | 109.7° | 109.5° |
| C32 | C31 | H312 | 109.8° | 109.5° |
| C31 | C32 | C33 | 114.3° | 109.4° |
| C31 | C32 | H321 | 107.9° | 109.5° |
| C31 | C32 | H322 | 106.8° | 109.5° |
| H311 | C31 | H312 | 109.0° | 109.5° |
| C33 | C32 | H321 | 107.9° | 109.5° |
| C33 | C32 | H322 | 106.8° | 109.5° |
| C32 | C33 | H331 | 107.9° | 109.5° |
| C32 | C33 | H332 | 106.7° | 109.5° |
| H321 | C32 | H322 | 113.3° | 109.5° |
| H331 | C33 | H332 | 113.5° | 109.4° |
| C9 | N1 | C12 | 109.3° | 109.9° |
| C9 | N1 | C17 | 128.6° | 125.1° |
| N1 | C9 | C10 | 106.2° | 107.1° |
| N1 | C9 | C13 | 136.0° | 133.4° |
| C12 | N1 | C17 | 122.1° | 125.1° |
| N1 | C12 | C11 | 110.9° | 110.0° |
| N1 | C12 | H12 | 124.6° | 125.1° |
| N1 | C17 | C18 | 120.2° | 109.5° |
| N1 | C17 | H171 | 106.1° | 109.5° |
| N1 | C17 | H172 | 103.5° | 109.5° |
| C10 | C9 | C13 | 117.8° | 119.5° |
| C9 | C10 | C11 | 107.3° | 106.1° |
| C9 | C10 | C16 | 121.6° | 120.0° |
| C9 | C13 | C14 | 121.1° | 120.0° |
| C9 | C13 | H13 | 119.4° | 120.0° |
| C11 | C10 | C16 | 131.1° | 133.9° |
| C10 | C11 | C12 | 106.4° | 107.0° |
| C10 | C11 | H11 | 126.8° | 126.5° |
| C10 | C16 | C15 | 121.1° | 119.6° |
| C10 | C16 | H16 | 119.5° | 120.2° |
| C12 | C11 | H11 | 126.8° | 126.5° |
| C11 | C12 | H12 | 124.6° | 125.0° |
| C14 | C13 | H13 | 119.5° | 120.0° |
| C13 | C14 | C15 | 119.9° | 120.6° |
| C13 | C14 | H14 | 120.0° | 119.7° |
| C15 | C14 | H14 | 120.1° | 119.7° |
| C14 | C15 | C16 | 118.6° | 120.3° |
| C15 | C16 | H16 | 119.5° | 120.2° |
| C18 | C17 | H171 | 106.1° | 109.5° |
| C18 | C17 | H172 | 103.6° | 109.5° |
| C17 | C18 | O3 | 110.9° | 120.0° |
| C17 | C18 | O4 | 125.5° | 120.0° |
| H171 | C17 | H172 | 118.3° | 109.5° |
| O3 | C18 | O4 | 123.7° | 120.0° |
| C18 | O4 | HO4 | 109.5° | 145.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | H11A | H12A | 120.0° | 120.0° |
| O1 | C1 | H11A | H13A | 120.0° | 120.0° |
| O1 | C1 | H12A | H13A | 120.0° | 119.9° |
| C1 | O1 | C2 | C3 | 140.4° | 179.7° |
| C1 | O1 | C2 | C5 | 40.1° | 0.0° |
| H11A | C1 | H12A | H13A | 119.9° | 120.1° |
| H11A | C1 | O1 | C2 | 9.0° | 60.0° |
| H12A | C1 | O1 | C2 | 111.0° | 60.0° |
| H13A | C1 | O1 | C2 | 129.0° | 180.0° |
| O1 | C2 | C3 | C5 | 179.6° | 179.8° |
| O1 | C2 | C3 | C4 | 0.6° | 0.3° |
| O1 | C2 | C3 | C8 | 179.5° | 179.6° |
| O1 | C2 | C5 | C6 | 179.7° | 180.0° |
| O1 | C2 | C5 | H5 | 0.4° | 0.1° |
| C2 | C3 | C4 | C8 | 179.9° | 179.3° |
| C2 | C3 | C4 | O2 | 111.8° | 179.4° |
| C2 | C3 | C4 | H41 | 128.3° | 60.6° |
| C2 | C3 | C4 | H42 | 4.7° | 59.4° |
| C3 | C2 | C5 | C6 | 0.1° | 0.2° |
| C3 | C2 | C5 | H5 | 179.9° | 179.7° |
| C2 | C3 | C8 | C7 | 0.1° | 0.7° |
| C2 | C3 | C8 | H8 | 179.9° | 179.7° |
| C5 | C2 | C3 | C4 | 179.8° | 179.9° |
| C5 | C2 | C3 | C8 | 0.1° | 0.6° |
| C2 | C5 | C6 | H5 | 180.0° | 179.9° |
| C2 | C5 | C6 | C7 | 0.2° | 0.1° |
| C2 | C5 | C6 | H6 | 179.8° | 180.0° |
| C3 | C4 | O2 | H41 | 120.0° | 120.0° |
| C3 | C4 | O2 | H42 | 116.4° | 120.0° |
| C3 | C4 | H41 | H42 | 116.8° | 120.0° |
| C3 | C4 | O2 | C33 | 95.7° | 180.0° |
| C4 | C3 | C8 | C7 | 179.8° | 180.0° |
| C4 | C3 | C8 | H8 | 0.2° | 0.4° |
| C8 | C3 | C4 | O2 | 68.3° | 0.1° |
| C8 | C3 | C4 | H41 | 51.6° | 120.0° |
| C8 | C3 | C4 | H42 | 175.2° | 119.9° |
| C3 | C8 | C7 | C6 | 0.0° | 0.4° |
| C3 | C8 | C7 | H8 | 180.0° | 179.6° |
| C3 | C8 | C7 | H7 | 180.0° | 179.7° |
| O2 | C4 | H41 | H42 | 116.9° | 120.0° |
| C4 | O2 | C33 | C32 | 89.9° | 180.0° |
| C4 | O2 | C33 | H331 | 30.1° | 60.0° |
| C4 | O2 | C33 | H332 | 152.3° | 59.9° |
| H41 | C4 | O2 | C33 | 144.3° | 60.0° |
| H42 | C4 | O2 | C33 | 20.7° | 60.0° |
| O2 | C33 | C32 | C31 | 153.0° | 180.0° |
| O2 | C33 | C32 | H331 | 120.0° | 120.0° |
| O2 | C33 | C32 | H332 | 117.8° | 120.0° |
| O2 | C33 | C32 | H321 | 87.0° | 60.0° |
| O2 | C33 | C32 | H322 | 35.2° | 60.0° |
| O2 | C33 | H331 | H332 | 117.9° | 119.9° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 0.1° | 0.0° |
| C5 | C6 | C7 | H7 | 179.9° | 180.0° |
| H5 | C5 | C6 | C7 | 179.8° | 180.0° |
| H5 | C5 | C6 | H6 | 0.2° | 0.1° |
| C6 | C7 | C8 | H7 | 180.0° | 180.0° |
| C6 | C7 | C8 | H8 | 180.0° | 180.0° |
| H6 | C6 | C7 | C8 | 179.8° | 179.9° |
| H6 | C6 | C7 | H7 | 0.1° | 0.0° |
| H7 | C7 | C8 | H8 | 0.0° | 0.1° |
| C21 | C20 | N3 | C24 | 123.0° | 120.0° |
| C21 | C20 | N3 | H20 | 119.3° | 120.1° |
| C21 | C20 | C24 | H20 | 120.5° | 119.9° |
| C20 | C21 | N2 | H211 | 120.0° | 119.8° |
| C20 | C21 | N2 | H212 | 119.1° | 119.8° |
| C20 | C21 | H211 | H212 | 119.1° | 120.3° |
| C20 | C21 | N2 | C22 | 52.0° | 72.6° |
| C20 | C21 | N2 | HN2 | 68.0° | 173.7° |
| C21 | C20 | N3 | C23 | 0.9° | 16.1° |
| C21 | C20 | N3 | C26 | 179.3° | 163.6° |
| C21 | C20 | C24 | O6 | 175.7° | 55.8° |
| C21 | C20 | C24 | H241 | 64.3° | 64.2° |
| C21 | C20 | C24 | H242 | 65.0° | 175.8° |
| N3 | C20 | C24 | H20 | 111.5° | 119.9° |
| N3 | C20 | C21 | N2 | 24.5° | 52.0° |
| N3 | C20 | C21 | H211 | 144.5° | 171.8° |
| N3 | C20 | C21 | H212 | 94.6° | 67.8° |
| C20 | N3 | C23 | C22 | 0.1° | 0.0° |
| C20 | N3 | C23 | C26 | 179.8° | 179.7° |
| C20 | N3 | C23 | O5 | 179.8° | 179.5° |
| N3 | C20 | C24 | O6 | 47.7° | 64.3° |
| N3 | C20 | C24 | H241 | 167.7° | 175.7° |
| N3 | C20 | C24 | H242 | 62.9° | 55.7° |
| C20 | N3 | C26 | C25 | 91.5° | 67.6° |
| C20 | N3 | C26 | C27 | 88.5° | 112.4° |
| C24 | C20 | C21 | N2 | 153.5° | 172.0° |
| C24 | C20 | C21 | H211 | 86.5° | 68.2° |
| C24 | C20 | C21 | H212 | 34.4° | 52.2° |
| C24 | C20 | N3 | C23 | 123.9° | 136.1° |
| C24 | C20 | N3 | C26 | 56.4° | 43.7° |
| C20 | C24 | O6 | H241 | 120.0° | 120.0° |
| C20 | C24 | O6 | H242 | 110.6° | 120.0° |
| C20 | C24 | H241 | H242 | 112.8° | 120.0° |
| C20 | C24 | O6 | C15 | 162.3° | 180.0° |
| H20 | C20 | C21 | N2 | 87.3° | 68.0° |
| H20 | C20 | C21 | H211 | 32.7° | 51.8° |
| H20 | C20 | C21 | H212 | 153.6° | 172.2° |
| H20 | C20 | N3 | C23 | 118.4° | 104.0° |
| H20 | C20 | N3 | C26 | 61.4° | 76.3° |
| H20 | C20 | C24 | O6 | 63.8° | 175.8° |
| H20 | C20 | C24 | H241 | 56.2° | 55.8° |
| H20 | C20 | C24 | H242 | 174.4° | 64.2° |
| N2 | C21 | H211 | H212 | 119.2° | 120.3° |
| C21 | N2 | C22 | HN2 | 120.0° | 113.7° |
| C21 | N2 | C22 | C23 | 51.0° | 53.8° |
| C21 | N2 | C22 | H221 | 171.0° | 174.3° |
| C21 | N2 | C22 | H222 | 68.1° | 66.3° |
| H211 | C21 | N2 | C22 | 172.0° | 167.6° |
| H211 | C21 | N2 | HN2 | 52.0° | 53.9° |
| H212 | C21 | N2 | C22 | 67.1° | 47.3° |
| H212 | C21 | N2 | HN2 | 172.9° | 66.4° |
| N2 | C22 | C23 | H221 | 120.0° | 120.4° |
| N2 | C22 | C23 | H222 | 119.1° | 120.2° |
| N2 | C22 | H221 | H222 | 119.1° | 119.6° |
| N2 | C22 | C23 | N3 | 22.4° | 19.2° |
| N2 | C22 | C23 | O5 | 157.3° | 160.3° |
| HN2 | N2 | C22 | C23 | 69.1° | 167.5° |
| HN2 | N2 | C22 | H221 | 51.0° | 72.0° |
| HN2 | N2 | C22 | H222 | 171.9° | 47.5° |
| C23 | C22 | H221 | H222 | 119.1° | 119.3° |
| C22 | C23 | N3 | O5 | 179.7° | 179.5° |
| C22 | C23 | N3 | C26 | 179.6° | 179.7° |
| H221 | C22 | C23 | N3 | 142.4° | 139.6° |
| H221 | C22 | C23 | O5 | 37.3° | 39.9° |
| H222 | C22 | C23 | N3 | 96.6° | 101.0° |
| H222 | C22 | C23 | O5 | 83.7° | 79.5° |
| C23 | N3 | C26 | C25 | 88.7° | 112.6° |
| C23 | N3 | C26 | C27 | 91.3° | 67.4° |
| O5 | C23 | N3 | C26 | 0.1° | 0.8° |
| N3 | C26 | C25 | C27 | 180.0° | 180.0° |
| N3 | C26 | C25 | C30 | 179.6° | 180.0° |
| N3 | C26 | C25 | H25 | 0.4° | 0.1° |
| N3 | C26 | C27 | C28 | 179.7° | 179.8° |
| N3 | C26 | C27 | H27 | 0.3° | 0.0° |
| O6 | C24 | H241 | H242 | 112.8° | 120.0° |
| C24 | O6 | C15 | C14 | 4.4° | 0.0° |
| C24 | O6 | C15 | C16 | 175.8° | 179.7° |
| H241 | C24 | O6 | C15 | 42.3° | 60.0° |
| H242 | C24 | O6 | C15 | 87.1° | 60.0° |
| O6 | C15 | C16 | C10 | 179.9° | 179.7° |
| O6 | C15 | C14 | C13 | 179.9° | 180.0° |
| O6 | C15 | C14 | C16 | 179.7° | 179.8° |
| O6 | C15 | C14 | H14 | 0.0° | 0.0° |
| O6 | C15 | C16 | H16 | 0.1° | 0.1° |
| C26 | C25 | C30 | H25 | 180.0° | 179.9° |
| C25 | C26 | C27 | C28 | 0.3° | 0.2° |
| C25 | C26 | C27 | H27 | 179.7° | 180.0° |
| C26 | C25 | C30 | C29 | 0.2° | 0.1° |
| C26 | C25 | C30 | H30 | 179.8° | 180.0° |
| C30 | C25 | C26 | C27 | 0.4° | 0.0° |
| C25 | C30 | C29 | C28 | 0.1° | 0.3° |
| C25 | C30 | C29 | H30 | 180.0° | 179.9° |
| C25 | C30 | C29 | O7 | 179.4° | 180.0° |
| H25 | C25 | C26 | C27 | 179.6° | 179.9° |
| H25 | C25 | C30 | C29 | 179.8° | 179.9° |
| H25 | C25 | C30 | H30 | 0.2° | 0.0° |
| C26 | C27 | C28 | H27 | 180.0° | 179.8° |
| C26 | C27 | C28 | C29 | 0.0° | 0.5° |
| C26 | C27 | C28 | H28 | 180.0° | 179.9° |
| C27 | C28 | C29 | H28 | 180.0° | 179.6° |
| C27 | C28 | C29 | C30 | 0.2° | 0.5° |
| C27 | C28 | C29 | O7 | 179.3° | 179.8° |
| H27 | C27 | C28 | C29 | 180.0° | 179.7° |
| H27 | C27 | C28 | H28 | 0.0° | 0.2° |
| C28 | C29 | C30 | O7 | 179.5° | 179.7° |
| C28 | C29 | C30 | H30 | 179.9° | 179.8° |
| C28 | C29 | O7 | C31 | 64.3° | 0.3° |
| H28 | C28 | C29 | C30 | 179.8° | 179.9° |
| H28 | C28 | C29 | O7 | 0.8° | 0.2° |
| C30 | C29 | O7 | C31 | 116.3° | 180.0° |
| O7 | C29 | C30 | H30 | 0.6° | 0.1° |
| C29 | O7 | C31 | C32 | 143.5° | 180.0° |
| C29 | O7 | C31 | H311 | 23.5° | 60.0° |
| C29 | O7 | C31 | H312 | 96.2° | 60.0° |
| O7 | C31 | C32 | H311 | 120.0° | 120.0° |
| O7 | C31 | C32 | H312 | 120.3° | 120.0° |
| O7 | C31 | H311 | H312 | 120.3° | 120.1° |
| O7 | C31 | C32 | C33 | 46.6° | 180.0° |
| O7 | C31 | C32 | H321 | 166.6° | 60.0° |
| O7 | C31 | C32 | H322 | 71.2° | 60.0° |
| C32 | C31 | H311 | H312 | 120.2° | 120.0° |
| C31 | C32 | C33 | H321 | 120.0° | 120.0° |
| C31 | C32 | C33 | H322 | 117.9° | 120.0° |
| C31 | C32 | H321 | H322 | 118.0° | 120.0° |
| C31 | C32 | C33 | H331 | 33.1° | 60.0° |
| C31 | C32 | C33 | H332 | 89.2° | 60.0° |
| H311 | C31 | C32 | C33 | 166.6° | 60.0° |
| H311 | C31 | C32 | H321 | 73.4° | 180.0° |
| H311 | C31 | C32 | H322 | 48.7° | 60.0° |
| H312 | C31 | C32 | C33 | 73.7° | 60.0° |
| H312 | C31 | C32 | H321 | 46.3° | 60.0° |
| H312 | C31 | C32 | H322 | 168.5° | 180.0° |
| C33 | C32 | H321 | H322 | 118.0° | 120.0° |
| C32 | C33 | H331 | H332 | 118.0° | 120.1° |
| H321 | C32 | C33 | H331 | 153.1° | 180.0° |
| H321 | C32 | C33 | H332 | 30.8° | 60.0° |
| H322 | C32 | C33 | H331 | 84.8° | 60.0° |
| H322 | C32 | C33 | H332 | 152.9° | 180.0° |
| C9 | N1 | C12 | C17 | 179.6° | 179.9° |
| N1 | C9 | C10 | C13 | 179.5° | 179.9° |
| N1 | C9 | C10 | C11 | 0.4° | 0.0° |
| N1 | C9 | C10 | C16 | 180.0° | 179.8° |
| C9 | N1 | C12 | C11 | 0.3° | 0.1° |
| C9 | N1 | C12 | H12 | 179.8° | 180.0° |
| N1 | C9 | C13 | C14 | 179.8° | 179.9° |
| N1 | C9 | C13 | H13 | 0.3° | 0.0° |
| C9 | N1 | C17 | C18 | 75.9° | 85.0° |
| C9 | N1 | C17 | H171 | 164.1° | 155.0° |
| C9 | N1 | C17 | H172 | 38.8° | 35.0° |
| C12 | N1 | C9 | C10 | 0.4° | 0.1° |
| C12 | N1 | C9 | C13 | 179.8° | 180.0° |
| N1 | C12 | C11 | C10 | 0.0° | 0.0° |
| N1 | C12 | C11 | H12 | 180.0° | 179.9° |
| N1 | C12 | C11 | H11 | 180.0° | 180.0° |
| C12 | N1 | C17 | C18 | 103.6° | 95.0° |
| C12 | N1 | C17 | H171 | 16.4° | 25.0° |
| C12 | N1 | C17 | H172 | 141.7° | 145.0° |
| C17 | N1 | C9 | C10 | 180.0° | 180.0° |
| C17 | N1 | C9 | C13 | 0.7° | 0.1° |
| C17 | N1 | C12 | C11 | 179.9° | 180.0° |
| C17 | N1 | C12 | H12 | 0.2° | 0.0° |
| N1 | C17 | C18 | H171 | 120.0° | 120.0° |
| N1 | C17 | C18 | H172 | 114.7° | 120.0° |
| N1 | C17 | H171 | H172 | 115.6° | 120.0° |
| N1 | C17 | C18 | O3 | 164.0° | 180.0° |
| N1 | C17 | C18 | O4 | 15.5° | 0.0° |
| C9 | C10 | C11 | C16 | 179.6° | 179.7° |
| C9 | C10 | C11 | C12 | 0.3° | 0.0° |
| C9 | C10 | C11 | H11 | 179.7° | 179.9° |
| C10 | C9 | C13 | C14 | 0.5° | 0.0° |
| C10 | C9 | C13 | H13 | 179.5° | 179.9° |
| C9 | C10 | C16 | C15 | 0.4° | 0.5° |
| C9 | C10 | C16 | H16 | 179.6° | 179.6° |
| C13 | C9 | C10 | C11 | 179.9° | 180.0° |
| C13 | C9 | C10 | C16 | 0.5° | 0.3° |
| C9 | C13 | C14 | H13 | 180.0° | 179.9° |
| C9 | C13 | C14 | C15 | 0.4° | 0.0° |
| C9 | C13 | C14 | H14 | 179.6° | 180.0° |
| C10 | C11 | C12 | H11 | 180.0° | 179.9° |
| C10 | C11 | C12 | H12 | 180.0° | 180.0° |
| C11 | C10 | C16 | C15 | 179.9° | 179.8° |
| C11 | C10 | C16 | H16 | 0.0° | 0.1° |
| C16 | C10 | C11 | C12 | 179.8° | 179.7° |
| C16 | C10 | C11 | H11 | 0.2° | 0.2° |
| C10 | C16 | C15 | C14 | 0.3° | 0.5° |
| C10 | C16 | C15 | H16 | 180.0° | 179.9° |
| H11 | C11 | C12 | H12 | 0.0° | 0.1° |
| C13 | C14 | C15 | H14 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.3° | 0.2° |
| H13 | C13 | C14 | C15 | 179.6° | 180.0° |
| H13 | C13 | C14 | H14 | 0.4° | 0.0° |
| C14 | C15 | C16 | H16 | 179.6° | 179.6° |
| H14 | C14 | C15 | C16 | 179.7° | 179.8° |
| C18 | C17 | H171 | H172 | 115.6° | 120.0° |
| C17 | C18 | O3 | O4 | 179.5° | 180.0° |
| C17 | C18 | O4 | HO4 | 179.4° | 60.6° |
| H171 | C17 | C18 | O3 | 76.0° | 60.0° |
| H171 | C17 | C18 | O4 | 104.5° | 120.0° |
| H172 | C17 | C18 | O3 | 49.2° | 60.0° |
| H172 | C17 | C18 | O4 | 130.2° | 120.1° |
| O3 | C18 | O4 | HO4 | 0.0° | 119.4° |
