4LG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | sing | 1.43Å | 1.42Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13A | sing | 1.09Å | 1.10Å | |
| O1 | C2 | sing | 1.36Å | 1.42Å | |
| C2 | C3 | doub | 1.39Å | 1.42Å | Aromatic |
| C2 | C5 | sing | 1.39Å | 1.42Å | Aromatic |
| C3 | C4 | sing | 1.51Å | 1.50Å | |
| C3 | C8 | sing | 1.38Å | 1.42Å | Aromatic |
| C4 | O2 | sing | 1.43Å | 1.40Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C4 | H42 | sing | 1.09Å | 1.10Å | |
| O2 | C33 | sing | 1.43Å | 1.41Å | |
| C5 | C6 | doub | 1.38Å | 1.42Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | C7 | sing | 1.38Å | 1.40Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | C8 | doub | 1.38Å | 1.41Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | C10 | doub | 1.38Å | 1.36Å | Aromatic |
| C9 | C14 | sing | 1.39Å | 1.44Å | Aromatic |
| C9 | O6 | sing | 1.36Å | 1.39Å | |
| C10 | C11 | sing | 1.39Å | 1.34Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | C12 | doub | 1.41Å | 1.41Å | Aromatic |
| C11 | N1 | sing | 1.38Å | 1.33Å | Aromatic |
| C12 | C13 | sing | 1.40Å | 1.41Å | Aromatic |
| C12 | C16 | sing | 1.47Å | 1.44Å | Aromatic |
| C13 | C14 | doub | 1.37Å | 1.45Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| N1 | C15 | sing | 1.37Å | 1.36Å | Aromatic |
| N1 | C17 | sing | 1.47Å | 1.49Å | |
| C15 | C16 | doub | 1.34Å | 1.42Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | C18 | sing | 1.51Å | 1.46Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C18 | O3 | sing | 1.34Å | 1.32Å | |
| C18 | O4 | doub | 1.21Å | 1.17Å | |
| O3 | C19 | sing | 1.45Å | 1.41Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C19 | H193 | sing | 1.09Å | 1.10Å | |
| C20 | C21 | sing | 1.53Å | 1.55Å | |
| C20 | N3 | sing | 1.46Å | 1.51Å | |
| C20 | C24 | sing | 1.53Å | 1.55Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | N2 | sing | 1.47Å | 1.43Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| N2 | C22 | sing | 1.47Å | 1.45Å | |
| N2 | HN2 | sing | 1.01Å | 1.00Å | |
| C22 | C23 | sing | 1.50Å | 1.56Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C23 | N3 | sing | 1.34Å | 1.42Å | |
| C23 | O5 | doub | 1.21Å | 1.21Å | |
| N3 | C26 | sing | 1.40Å | 1.41Å | |
| C24 | O6 | sing | 1.43Å | 1.44Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C25 | C26 | doub | 1.39Å | 1.43Å | Aromatic |
| C25 | C30 | sing | 1.38Å | 1.41Å | Aromatic |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C26 | C27 | sing | 1.39Å | 1.43Å | Aromatic |
| C27 | C28 | doub | 1.38Å | 1.42Å | Aromatic |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C28 | C29 | sing | 1.39Å | 1.43Å | Aromatic |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C29 | C30 | doub | 1.39Å | 1.41Å | Aromatic |
| C29 | O7 | sing | 1.36Å | 1.41Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| O7 | C31 | sing | 1.43Å | 1.41Å | |
| C31 | C32 | sing | 1.53Å | 1.50Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C32 | C33 | sing | 1.53Å | 1.53Å | |
| 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 |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | H11 | 109.5° | 109.5° |
| O1 | C1 | H12 | 109.5° | 109.4° |
| O1 | C1 | H13A | 109.5° | 109.5° |
| C1 | O1 | C2 | 116.0° | 106.8° |
| H11 | C1 | H12 | 109.4° | 109.5° |
| H11 | C1 | H13A | 109.4° | 109.5° |
| H12 | C1 | H13A | 109.5° | 109.4° |
| O1 | C2 | C3 | 122.8° | 120.1° |
| O1 | C2 | C5 | 117.8° | 120.0° |
| C3 | C2 | C5 | 119.4° | 119.9° |
| C2 | C3 | C4 | 117.2° | 120.0° |
| C2 | C3 | C8 | 119.2° | 119.9° |
| C2 | C5 | C6 | 120.7° | 119.9° |
| C2 | C5 | H5 | 119.7° | 120.0° |
| C4 | C3 | C8 | 123.6° | 120.1° |
| C3 | C4 | O2 | 119.9° | 109.4° |
| C3 | C4 | H41 | 106.1° | 109.5° |
| C3 | C4 | H42 | 103.7° | 109.5° |
| C3 | C8 | C7 | 121.1° | 120.1° |
| C3 | C8 | H8 | 119.5° | 120.0° |
| O2 | C4 | H41 | 106.1° | 109.5° |
| O2 | C4 | H42 | 103.7° | 109.5° |
| C4 | O2 | C33 | 118.1° | 106.8° |
| H41 | C4 | H42 | 118.1° | 109.5° |
| O2 | C33 | C32 | 114.9° | 109.4° |
| O2 | C33 | H331 | 107.7° | 109.5° |
| O2 | C33 | H332 | 106.5° | 109.5° |
| C6 | C5 | H5 | 119.7° | 120.0° |
| C5 | C6 | C7 | 119.8° | 120.1° |
| C5 | C6 | H6 | 120.1° | 119.9° |
| C7 | C6 | H6 | 120.1° | 120.0° |
| C6 | C7 | C8 | 119.8° | 120.1° |
| C6 | C7 | H7 | 120.1° | 120.0° |
| C8 | C7 | H7 | 120.1° | 119.9° |
| C7 | C8 | H8 | 119.4° | 120.0° |
| C10 | C9 | C14 | 117.2° | 120.5° |
| C10 | C9 | O6 | 119.2° | 119.7° |
| C9 | C10 | C11 | 124.0° | 119.8° |
| C9 | C10 | H10 | 118.0° | 120.2° |
| C14 | C9 | O6 | 123.6° | 119.7° |
| C9 | C14 | C13 | 119.8° | 120.5° |
| C9 | C14 | H14 | 120.1° | 119.8° |
| C9 | O6 | C24 | 115.8° | 106.8° |
| C11 | C10 | H10 | 118.0° | 120.0° |
| C10 | C11 | C12 | 122.2° | 119.3° |
| C10 | C11 | N1 | 126.2° | 133.5° |
| C12 | C11 | N1 | 111.6° | 107.2° |
| C11 | C12 | C13 | 117.9° | 120.0° |
| C11 | C12 | C16 | 104.3° | 106.0° |
| C11 | N1 | C15 | 109.2° | 109.9° |
| C11 | N1 | C17 | 113.1° | 125.0° |
| C13 | C12 | C16 | 137.8° | 134.0° |
| C12 | C13 | C14 | 119.0° | 119.9° |
| C12 | C13 | H13 | 120.5° | 120.1° |
| C12 | C16 | C15 | 106.3° | 107.1° |
| C12 | C16 | H16 | 126.8° | 126.4° |
| C14 | C13 | H13 | 120.5° | 120.1° |
| C13 | C14 | H14 | 120.1° | 119.8° |
| C15 | N1 | C17 | 137.7° | 125.1° |
| N1 | C15 | C16 | 108.6° | 109.9° |
| N1 | C15 | H15 | 125.7° | 125.0° |
| N1 | C17 | C18 | 124.9° | 109.5° |
| N1 | C17 | H171 | 104.6° | 109.4° |
| N1 | C17 | H172 | 101.0° | 109.4° |
| C16 | C15 | H15 | 125.7° | 125.1° |
| C15 | C16 | H16 | 126.8° | 126.5° |
| C18 | C17 | H171 | 104.6° | 109.5° |
| C18 | C17 | H172 | 101.0° | 109.5° |
| C17 | C18 | O3 | 108.4° | 120.0° |
| C17 | C18 | O4 | 125.1° | 120.0° |
| H171 | C17 | H172 | 122.6° | 109.5° |
| O3 | C18 | O4 | 126.5° | 120.0° |
| C18 | O3 | C19 | 119.6° | 120.0° |
| O3 | C19 | H191 | 109.5° | 109.5° |
| O3 | C19 | H192 | 109.4° | 109.4° |
| O3 | C19 | H193 | 109.4° | 109.5° |
| H191 | C19 | H192 | 109.4° | 109.5° |
| H191 | C19 | H193 | 109.5° | 109.5° |
| H192 | C19 | H193 | 109.5° | 109.5° |
| C21 | C20 | N3 | 114.0° | 109.6° |
| C21 | C20 | C24 | 99.3° | 109.5° |
| C21 | C20 | H20 | 118.5° | 109.4° |
| C20 | C21 | N2 | 109.9° | 108.9° |
| C20 | C21 | H211 | 109.3° | 109.6° |
| C20 | C21 | H212 | 109.3° | 109.5° |
| N3 | C20 | C24 | 121.5° | 109.4° |
| N3 | C20 | H20 | 94.5° | 109.5° |
| C20 | N3 | C23 | 119.3° | 122.0° |
| C20 | N3 | C26 | 120.6° | 119.0° |
| C24 | C20 | H20 | 110.4° | 109.4° |
| C20 | C24 | O6 | 121.8° | 109.5° |
| C20 | C24 | H241 | 105.6° | 109.5° |
| C20 | C24 | H242 | 102.7° | 109.5° |
| N2 | C21 | H211 | 109.4° | 109.6° |
| N2 | C21 | H212 | 109.2° | 109.6° |
| C21 | N2 | C22 | 116.1° | 106.6° |
| C21 | N2 | HN2 | 107.3° | 106.7° |
| H211 | C21 | H212 | 109.8° | 109.7° |
| C22 | N2 | HN2 | 107.3° | 106.7° |
| N2 | C22 | C23 | 113.2° | 110.4° |
| N2 | C22 | H221 | 108.3° | 109.3° |
| N2 | C22 | H222 | 107.4° | 109.3° |
| C23 | C22 | H221 | 108.3° | 109.3° |
| C23 | C22 | H222 | 107.4° | 109.3° |
| C22 | C23 | N3 | 120.5° | 122.5° |
| C22 | C23 | O5 | 115.1° | 118.8° |
| H221 | C22 | H222 | 112.4° | 109.2° |
| N3 | C23 | O5 | 124.4° | 118.7° |
| C23 | N3 | C26 | 120.1° | 119.0° |
| N3 | C26 | C25 | 121.1° | 120.0° |
| N3 | C26 | C27 | 123.0° | 120.0° |
| O6 | C24 | H241 | 105.5° | 109.5° |
| O6 | C24 | H242 | 102.6° | 109.5° |
| H241 | C24 | H242 | 119.8° | 109.5° |
| C26 | C25 | C30 | 122.1° | 120.0° |
| C26 | C25 | H25 | 118.9° | 120.0° |
| C25 | C26 | C27 | 115.9° | 119.9° |
| C30 | C25 | H25 | 119.0° | 120.0° |
| C25 | C30 | C29 | 121.5° | 120.1° |
| C25 | C30 | H30 | 119.2° | 120.0° |
| C26 | C27 | C28 | 122.2° | 120.0° |
| C26 | C27 | H27 | 118.9° | 120.0° |
| C28 | C27 | H27 | 118.9° | 120.0° |
| C27 | C28 | C29 | 120.6° | 120.0° |
| C27 | C28 | H28 | 119.7° | 120.0° |
| C29 | C28 | H28 | 119.7° | 120.0° |
| C28 | C29 | C30 | 117.7° | 120.0° |
| C28 | C29 | O7 | 128.2° | 120.0° |
| C30 | C29 | O7 | 114.1° | 120.0° |
| C29 | C30 | H30 | 119.2° | 120.0° |
| C29 | O7 | C31 | 120.8° | 106.8° |
| O7 | C31 | C32 | 112.5° | 109.5° |
| O7 | C31 | H311 | 108.5° | 109.4° |
| O7 | C31 | H312 | 107.8° | 109.5° |
| C32 | C31 | H311 | 108.5° | 109.5° |
| C32 | C31 | H312 | 107.8° | 109.5° |
| C31 | C32 | C33 | 116.6° | 109.5° |
| C31 | C32 | H321 | 107.1° | 109.5° |
| C31 | C32 | H322 | 105.5° | 109.5° |
| H311 | C31 | H312 | 111.9° | 109.4° |
| C33 | C32 | H321 | 107.2° | 109.5° |
| C33 | C32 | H322 | 105.5° | 109.4° |
| C32 | C33 | H331 | 107.7° | 109.4° |
| C32 | C33 | H332 | 106.5° | 109.5° |
| H321 | C32 | H322 | 115.3° | 109.5° |
| H331 | C33 | H332 | 113.8° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | H11 | H12 | 120.0° | 120.0° |
| O1 | C1 | H11 | H13A | 120.0° | 120.0° |
| O1 | C1 | H12 | H13A | 120.0° | 119.9° |
| C1 | O1 | C2 | C3 | 76.3° | 179.5° |
| C1 | O1 | C2 | C5 | 104.2° | 0.0° |
| H11 | C1 | H12 | H13A | 120.0° | 120.0° |
| H11 | C1 | O1 | C2 | 7.6° | 60.0° |
| H12 | C1 | O1 | C2 | 127.6° | 60.0° |
| H13A | C1 | O1 | C2 | 112.4° | 179.9° |
| O1 | C2 | C3 | C5 | 179.5° | 179.5° |
| O1 | C2 | C3 | C4 | 0.1° | 0.3° |
| O1 | C2 | C3 | C8 | 179.7° | 180.0° |
| O1 | C2 | C5 | C6 | 179.6° | 180.0° |
| O1 | C2 | C5 | H5 | 0.4° | 0.2° |
| C2 | C3 | C4 | C8 | 179.8° | 179.7° |
| C2 | C3 | C4 | O2 | 179.7° | 179.7° |
| C2 | C3 | C4 | H41 | 59.7° | 59.7° |
| C2 | C3 | C4 | H42 | 65.4° | 60.3° |
| C3 | C2 | C5 | C6 | 0.1° | 0.5° |
| C3 | C2 | C5 | H5 | 179.9° | 179.7° |
| C2 | C3 | C8 | C7 | 0.3° | 0.3° |
| C2 | C3 | C8 | H8 | 179.6° | 179.8° |
| C5 | C2 | C3 | C4 | 179.5° | 179.7° |
| C5 | C2 | C3 | C8 | 0.3° | 0.6° |
| C2 | C5 | C6 | H5 | 180.0° | 179.8° |
| C2 | C5 | C6 | C7 | 0.0° | 0.2° |
| C2 | C5 | C6 | H6 | 180.0° | 179.7° |
| C3 | C4 | O2 | H41 | 120.0° | 120.0° |
| C3 | C4 | O2 | H42 | 114.9° | 120.0° |
| C3 | C4 | H41 | H42 | 115.7° | 120.0° |
| C3 | C4 | O2 | C33 | 176.0° | 180.0° |
| C4 | C3 | C8 | C7 | 179.4° | 180.0° |
| C4 | C3 | C8 | H8 | 0.6° | 0.1° |
| C8 | C3 | C4 | O2 | 0.1° | 0.0° |
| C8 | C3 | C4 | H41 | 120.0° | 120.0° |
| C8 | C3 | C4 | H42 | 114.9° | 120.0° |
| C3 | C8 | C7 | C6 | 0.2° | 0.0° |
| C3 | C8 | C7 | H8 | 180.0° | 179.9° |
| C3 | C8 | C7 | H7 | 179.8° | 179.9° |
| O2 | C4 | H41 | H42 | 115.7° | 120.0° |
| C4 | O2 | C33 | C32 | 38.0° | 180.0° |
| C4 | O2 | C33 | H331 | 157.9° | 60.0° |
| C4 | O2 | C33 | H332 | 79.6° | 60.0° |
| H41 | C4 | O2 | C33 | 56.0° | 60.0° |
| H42 | C4 | O2 | C33 | 69.1° | 60.0° |
| O2 | C33 | C32 | C31 | 147.3° | 180.0° |
| O2 | C33 | C32 | H331 | 120.0° | 120.0° |
| O2 | C33 | C32 | H332 | 117.6° | 120.0° |
| O2 | C33 | C32 | H321 | 27.3° | 60.0° |
| O2 | C33 | C32 | H322 | 96.0° | 60.0° |
| O2 | C33 | H331 | H332 | 117.8° | 120.1° |
| C5 | C6 | C7 | H6 | 180.0° | 179.9° |
| C5 | C6 | C7 | C8 | 0.0° | 0.0° |
| C5 | C6 | C7 | H7 | 180.0° | 179.9° |
| H5 | C5 | C6 | C7 | 180.0° | 180.0° |
| H5 | C5 | C6 | H6 | 0.0° | 0.1° |
| C6 | C7 | C8 | H7 | 180.0° | 179.9° |
| C6 | C7 | C8 | H8 | 179.7° | 179.9° |
| H6 | C6 | C7 | C8 | 179.9° | 180.0° |
| H6 | C6 | C7 | H7 | 0.0° | 0.2° |
| H7 | C7 | C8 | H8 | 0.3° | 0.0° |
| C10 | C9 | C14 | O6 | 179.7° | 179.9° |
| C9 | C10 | C11 | H10 | 180.0° | 179.7° |
| C9 | C10 | C11 | C12 | 0.2° | 0.6° |
| C9 | C10 | C11 | N1 | 179.2° | 179.6° |
| C10 | C9 | C14 | C13 | 0.2° | 0.1° |
| C10 | C9 | C14 | H14 | 179.8° | 180.0° |
| C10 | C9 | O6 | C24 | 35.9° | 180.0° |
| C14 | C9 | C10 | C11 | 0.1° | 0.3° |
| C14 | C9 | C10 | H10 | 179.9° | 180.0° |
| C9 | C14 | C13 | C12 | 0.1° | 0.1° |
| C9 | C14 | C13 | H14 | 180.0° | 180.0° |
| C9 | C14 | C13 | H13 | 179.9° | 180.0° |
| C14 | C9 | O6 | C24 | 143.8° | 0.0° |
| O6 | C9 | C10 | C11 | 179.6° | 179.7° |
| O6 | C9 | C10 | H10 | 0.4° | 0.1° |
| O6 | C9 | C14 | C13 | 179.4° | 180.0° |
| O6 | C9 | C14 | H14 | 0.6° | 0.0° |
| C9 | O6 | C24 | C20 | 163.8° | 180.0° |
| C9 | O6 | C24 | H241 | 76.2° | 60.0° |
| C9 | O6 | C24 | H242 | 50.0° | 60.0° |
| C10 | C11 | C12 | N1 | 179.5° | 179.2° |
| C10 | C11 | C12 | C13 | 0.2° | 0.6° |
| C10 | C11 | C12 | C16 | 180.0° | 179.6° |
| C10 | C11 | N1 | C15 | 179.9° | 179.5° |
| C10 | C11 | N1 | C17 | 0.7° | 0.8° |
| H10 | C10 | C11 | C12 | 179.9° | 179.7° |
| H10 | C10 | C11 | N1 | 0.8° | 0.7° |
| C11 | C12 | C13 | C16 | 179.7° | 179.6° |
| C11 | C12 | C13 | C14 | 0.1° | 0.3° |
| C11 | C12 | C13 | H13 | 179.9° | 179.7° |
| C12 | C11 | N1 | C15 | 0.5° | 0.4° |
| C12 | C11 | N1 | C17 | 178.7° | 179.9° |
| C11 | C12 | C16 | C15 | 0.4° | 0.3° |
| C11 | C12 | C16 | H16 | 179.6° | 179.7° |
| N1 | C11 | C12 | C13 | 179.2° | 179.8° |
| N1 | C11 | C12 | C16 | 0.5° | 0.4° |
| C11 | N1 | C15 | C17 | 178.9° | 179.7° |
| C11 | N1 | C15 | C16 | 0.2° | 0.3° |
| C11 | N1 | C15 | H15 | 179.8° | 179.7° |
| C11 | N1 | C17 | C18 | 177.5° | 84.7° |
| C11 | N1 | C17 | H171 | 57.5° | 35.3° |
| C11 | N1 | C17 | H172 | 70.7° | 155.3° |
| C12 | C13 | C14 | H13 | 180.0° | 179.9° |
| C12 | C13 | C14 | H14 | 179.9° | 180.0° |
| C13 | C12 | C16 | C15 | 179.3° | 180.0° |
| C13 | C12 | C16 | H16 | 0.7° | 0.1° |
| C16 | C12 | C13 | C14 | 179.7° | 180.0° |
| C16 | C12 | C13 | H13 | 0.3° | 0.1° |
| C12 | C16 | C15 | N1 | 0.1° | 0.0° |
| C12 | C16 | C15 | H16 | 180.0° | 180.0° |
| C12 | C16 | C15 | H15 | 179.9° | 180.0° |
| H13 | C13 | C14 | H14 | 0.2° | 0.1° |
| N1 | C15 | C16 | H15 | 180.0° | 180.0° |
| N1 | C15 | C16 | H16 | 179.9° | 180.0° |
| C15 | N1 | C17 | C18 | 1.4° | 95.0° |
| C15 | N1 | C17 | H171 | 121.4° | 145.0° |
| C15 | N1 | C17 | H172 | 110.4° | 25.1° |
| C17 | N1 | C15 | C16 | 178.7° | 180.0° |
| C17 | N1 | C15 | H15 | 1.3° | 0.1° |
| N1 | C17 | C18 | H171 | 120.0° | 120.0° |
| N1 | C17 | C18 | H172 | 111.9° | 119.9° |
| N1 | C17 | H171 | H172 | 113.6° | 119.9° |
| N1 | C17 | C18 | O3 | 153.5° | 180.0° |
| N1 | C17 | C18 | O4 | 29.2° | 0.0° |
| H15 | C15 | C16 | H16 | 0.1° | 0.0° |
| C18 | C17 | H171 | H172 | 113.6° | 120.1° |
| C17 | C18 | O3 | O4 | 177.2° | 180.0° |
| C17 | C18 | O3 | C19 | 177.9° | 180.0° |
| H171 | C17 | C18 | O3 | 86.5° | 60.0° |
| H171 | C17 | C18 | O4 | 90.8° | 120.0° |
| H172 | C17 | C18 | O3 | 41.7° | 60.1° |
| H172 | C17 | C18 | O4 | 141.0° | 119.9° |
| C18 | O3 | C19 | H191 | 121.4° | 180.0° |
| C18 | O3 | C19 | H192 | 1.5° | 60.0° |
| C18 | O3 | C19 | H193 | 118.5° | 60.0° |
| O4 | C18 | O3 | C19 | 0.6° | 0.0° |
| O3 | C19 | H191 | H192 | 120.0° | 120.0° |
| O3 | C19 | H191 | H193 | 120.0° | 120.0° |
| O3 | C19 | H192 | H193 | 120.0° | 120.0° |
| H191 | C19 | H192 | H193 | 120.0° | 120.0° |
| C21 | C20 | N3 | C24 | 118.7° | 120.1° |
| C21 | C20 | N3 | H20 | 124.0° | 120.0° |
| C21 | C20 | C24 | H20 | 125.3° | 119.9° |
| C20 | C21 | N2 | H211 | 120.0° | 119.9° |
| C20 | C21 | N2 | H212 | 119.8° | 119.8° |
| C20 | C21 | H211 | H212 | 119.8° | 120.2° |
| C20 | C21 | N2 | C22 | 61.8° | 72.6° |
| C20 | C21 | N2 | HN2 | 178.2° | 173.8° |
| C21 | C20 | N3 | C23 | 17.8° | 16.4° |
| C21 | C20 | N3 | C26 | 162.6° | 163.7° |
| C21 | C20 | C24 | O6 | 178.8° | 55.7° |
| C21 | C20 | C24 | H241 | 58.8° | 175.7° |
| C21 | C20 | C24 | H242 | 67.4° | 64.3° |
| N3 | C20 | C24 | H20 | 109.0° | 119.9° |
| N3 | C20 | C21 | N2 | 47.1° | 52.0° |
| N3 | C20 | C21 | H211 | 73.0° | 171.9° |
| N3 | C20 | C21 | H212 | 166.9° | 67.8° |
| C20 | N3 | C23 | C22 | 0.2° | 0.7° |
| C20 | N3 | C23 | C26 | 179.6° | 179.9° |
| C20 | N3 | C23 | O5 | 180.0° | 179.4° |
| N3 | C20 | C24 | O6 | 53.1° | 64.5° |
| N3 | C20 | C24 | H241 | 66.9° | 55.5° |
| N3 | C20 | C24 | H242 | 166.9° | 175.5° |
| C20 | N3 | C26 | C25 | 77.5° | 67.6° |
| C20 | N3 | C26 | C27 | 102.4° | 112.7° |
| C24 | C20 | C21 | N2 | 177.8° | 172.0° |
| C24 | C20 | C21 | H211 | 57.8° | 68.1° |
| C24 | C20 | C21 | H212 | 62.4° | 52.3° |
| C24 | C20 | N3 | C23 | 136.5° | 136.5° |
| C24 | C20 | N3 | C26 | 43.9° | 43.6° |
| C20 | C24 | O6 | H241 | 120.0° | 120.0° |
| C20 | C24 | O6 | H242 | 113.8° | 120.0° |
| C20 | C24 | H241 | H242 | 114.9° | 120.0° |
| H20 | C20 | C21 | N2 | 62.8° | 68.0° |
| H20 | C20 | C21 | H211 | 177.2° | 51.8° |
| H20 | C20 | C21 | H212 | 57.1° | 172.2° |
| H20 | C20 | N3 | C23 | 106.2° | 103.6° |
| H20 | C20 | N3 | C26 | 73.4° | 76.3° |
| H20 | C20 | C24 | O6 | 55.9° | 175.6° |
| H20 | C20 | C24 | H241 | 175.9° | 64.4° |
| H20 | C20 | C24 | H242 | 57.9° | 55.6° |
| N2 | C21 | H211 | H212 | 119.8° | 120.3° |
| C21 | N2 | C22 | HN2 | 120.0° | 113.7° |
| C21 | N2 | C22 | C23 | 43.2° | 54.0° |
| C21 | N2 | C22 | H221 | 163.2° | 174.3° |
| C21 | N2 | C22 | H222 | 75.2° | 66.2° |
| H211 | C21 | N2 | C22 | 58.2° | 167.6° |
| H211 | C21 | N2 | HN2 | 61.8° | 53.9° |
| H212 | C21 | N2 | C22 | 178.4° | 47.2° |
| H212 | C21 | N2 | HN2 | 58.4° | 66.5° |
| N2 | C22 | C23 | H221 | 120.0° | 120.3° |
| N2 | C22 | C23 | H222 | 118.4° | 120.3° |
| N2 | C22 | H221 | H222 | 118.5° | 119.5° |
| N2 | C22 | C23 | N3 | 10.7° | 19.8° |
| N2 | C22 | C23 | O5 | 169.0° | 160.4° |
| HN2 | N2 | C22 | C23 | 163.2° | 167.7° |
| HN2 | N2 | C22 | H221 | 76.8° | 72.0° |
| HN2 | N2 | C22 | H222 | 44.8° | 47.4° |
| C23 | C22 | H221 | H222 | 118.5° | 119.5° |
| C22 | C23 | N3 | O5 | 179.7° | 179.9° |
| C22 | C23 | N3 | C26 | 179.4° | 179.4° |
| H221 | C22 | C23 | N3 | 130.7° | 140.1° |
| H221 | C22 | C23 | O5 | 49.0° | 40.1° |
| H222 | C22 | C23 | N3 | 107.7° | 100.5° |
| H222 | C22 | C23 | O5 | 72.6° | 79.4° |
| C23 | N3 | C26 | C25 | 102.9° | 112.3° |
| C23 | N3 | C26 | C27 | 77.2° | 67.3° |
| O5 | C23 | N3 | C26 | 0.3° | 0.5° |
| N3 | C26 | C25 | C27 | 179.9° | 179.6° |
| N3 | C26 | C25 | C30 | 179.6° | 180.0° |
| N3 | C26 | C25 | H25 | 0.5° | 0.2° |
| N3 | C26 | C27 | C28 | 179.2° | 179.7° |
| N3 | C26 | C27 | H27 | 0.8° | 0.3° |
| O6 | C24 | H241 | H242 | 114.8° | 120.0° |
| C26 | C25 | C30 | H25 | 180.0° | 179.9° |
| C25 | C26 | C27 | C28 | 0.9° | 0.6° |
| C25 | C26 | C27 | H27 | 179.1° | 180.0° |
| C26 | C25 | C30 | C29 | 0.2° | 0.0° |
| C26 | C25 | C30 | H30 | 179.8° | 180.0° |
| C30 | C25 | C26 | C27 | 0.5° | 0.3° |
| C25 | C30 | C29 | C28 | 0.7° | 0.0° |
| C25 | C30 | C29 | H30 | 180.0° | 180.0° |
| C25 | C30 | C29 | O7 | 178.1° | 180.0° |
| H25 | C25 | C26 | C27 | 179.4° | 179.8° |
| H25 | C25 | C30 | C29 | 179.8° | 179.9° |
| H25 | C25 | C30 | H30 | 0.2° | 0.1° |
| C26 | C27 | C28 | H27 | 180.0° | 179.4° |
| C26 | C27 | C28 | C29 | 0.5° | 0.6° |
| C26 | C27 | C28 | H28 | 179.5° | 179.7° |
| C27 | C28 | C29 | H28 | 180.0° | 179.7° |
| C27 | C28 | C29 | C30 | 0.3° | 0.2° |
| C27 | C28 | C29 | O7 | 178.3° | 179.7° |
| H27 | C27 | C28 | C29 | 179.5° | 180.0° |
| H27 | C27 | C28 | H28 | 0.5° | 0.3° |
| C28 | C29 | C30 | O7 | 178.8° | 179.9° |
| C28 | C29 | C30 | H30 | 179.4° | 180.0° |
| C28 | C29 | O7 | C31 | 1.4° | 0.1° |
| H28 | C28 | C29 | C30 | 179.7° | 180.0° |
| H28 | C28 | C29 | O7 | 1.7° | 0.0° |
| C30 | C29 | O7 | C31 | 177.2° | 180.0° |
| O7 | C29 | C30 | H30 | 1.9° | 0.0° |
| C29 | O7 | C31 | C32 | 102.0° | 180.0° |
| C29 | O7 | C31 | H311 | 138.0° | 60.0° |
| C29 | O7 | C31 | H312 | 16.7° | 59.9° |
| O7 | C31 | C32 | H311 | 120.0° | 120.0° |
| O7 | C31 | C32 | H312 | 118.7° | 120.0° |
| O7 | C31 | H311 | H312 | 118.8° | 120.0° |
| O7 | C31 | C32 | C33 | 93.9° | 180.0° |
| O7 | C31 | C32 | H321 | 26.1° | 60.0° |
| O7 | C31 | C32 | H322 | 149.4° | 60.0° |
| C32 | C31 | H311 | H312 | 118.7° | 120.0° |
| C31 | C32 | C33 | H321 | 120.0° | 120.0° |
| C31 | C32 | C33 | H322 | 116.7° | 120.0° |
| C31 | C32 | H321 | H322 | 117.0° | 120.0° |
| C31 | C32 | C33 | H331 | 92.7° | 60.0° |
| C31 | C32 | C33 | H332 | 29.7° | 60.0° |
| H311 | C31 | C32 | C33 | 26.1° | 60.0° |
| H311 | C31 | C32 | H321 | 146.1° | 180.0° |
| H311 | C31 | C32 | H322 | 90.6° | 60.0° |
| H312 | C31 | C32 | C33 | 147.4° | 60.0° |
| H312 | C31 | C32 | H321 | 92.6° | 60.0° |
| H312 | C31 | C32 | H322 | 30.7° | 179.9° |
| C33 | C32 | H321 | H322 | 117.1° | 120.0° |
| C32 | C33 | H331 | H332 | 117.8° | 120.0° |
| H321 | C32 | C33 | H331 | 147.3° | 180.0° |
| H321 | C32 | C33 | H332 | 90.3° | 60.0° |
| H322 | C32 | C33 | H331 | 24.0° | 60.0° |
| H322 | C32 | C33 | H332 | 146.4° | 180.0° |
