VL6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | O | sing | 1.43Å | 1.42Å | |
| O | C1 | sing | 1.43Å | 1.43Å | |
| C1 | C2 | sing | 1.53Å | 1.50Å | |
| C2 | O1 | sing | 1.43Å | 1.43Å | |
| O1 | C3 | sing | 1.43Å | 1.43Å | |
| C3 | C4 | sing | 1.53Å | 1.50Å | |
| C4 | O2 | sing | 1.43Å | 1.46Å | |
| O2 | C5 | sing | 1.36Å | 1.35Å | |
| C5 | N | doub | 1.31Å | 1.31Å | Aromatic |
| N | O3 | sing | 1.21Å | 1.42Å | Aromatic |
| O3 | C6 | sing | 1.34Å | 1.35Å | Aromatic |
| C7 | C6 | doub | 1.35Å | 1.34Å | Aromatic |
| C5 | C7 | sing | 1.42Å | 1.41Å | Aromatic |
| C6 | C8 | sing | 1.51Å | 1.48Å | |
| C9 | C8 | sing | 1.53Å | 1.55Å | |
| C10 | C9 | sing | 1.53Å | 1.52Å | |
| C11 | C9 | sing | 1.53Å | 1.52Å | |
| C8 | C12 | sing | 1.51Å | 1.52Å | |
| O4 | C12 | doub | 1.21Å | 1.22Å | |
| C12 | N1 | sing | 1.35Å | 1.34Å | |
| N1 | C13 | sing | 1.47Å | 1.46Å | |
| C13 | C14 | sing | 1.55Å | 1.52Å | |
| O5 | C14 | sing | 1.43Å | 1.42Å | |
| C14 | C15 | sing | 1.55Å | 1.52Å | |
| C15 | C16 | sing | 1.54Å | 1.54Å | |
| N1 | C16 | sing | 1.47Å | 1.46Å | |
| C16 | C17 | sing | 1.51Å | 1.52Å | |
| C17 | O6 | doub | 1.21Å | 1.23Å | |
| N2 | C17 | sing | 1.35Å | 1.33Å | |
| C18 | N2 | sing | 1.47Å | 1.46Å | |
| C19 | C18 | sing | 1.53Å | 1.52Å | |
| C20 | C18 | sing | 1.51Å | 1.52Å | |
| C20 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C22 | C23 | doub | 1.40Å | 1.39Å | Aromatic |
| C23 | C24 | sing | 1.40Å | 1.39Å | Aromatic |
| C24 | C25 | doub | 1.38Å | 1.38Å | Aromatic |
| C25 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | C23 | sing | 1.48Å | 1.48Å | |
| C26 | C27 | doub | 1.35Å | 1.37Å | Aromatic |
| C28 | C27 | sing | 1.51Å | 1.49Å | |
| C27 | N3 | sing | 1.31Å | 1.38Å | Aromatic |
| N3 | C29 | doub | 1.29Å | 1.30Å | Aromatic |
| C29 | S | sing | 1.71Å | 1.72Å | Aromatic |
| S | C26 | sing | 1.76Å | 1.74Å | Aromatic |
| C4 | H13 | sing | 1.09Å | 1.10Å | |
| C4 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H1 | sing | 1.09Å | 1.10Å | |
| C11 | H22 | sing | 1.09Å | 1.10Å | |
| C11 | H20 | sing | 1.09Å | 1.10Å | |
| C11 | H21 | sing | 1.09Å | 1.10Å | |
| C7 | H15 | sing | 1.08Å | 1.08Å | |
| C8 | H | sing | 1.09Å | 1.10Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C10 | H19 | sing | 1.09Å | 1.10Å | |
| C10 | H18 | sing | 1.09Å | 1.10Å | |
| C13 | H23 | sing | 1.09Å | 1.10Å | |
| C13 | H24 | sing | 1.09Å | 1.10Å | |
| N2 | H28 | sing | 0.97Å | 1.00Å | |
| C3 | H11 | sing | 1.09Å | 1.10Å | |
| C3 | H12 | sing | 1.09Å | 1.10Å | |
| C18 | H3 | sing | 1.09Å | 1.10Å | |
| C25 | H35 | sing | 1.08Å | 1.08Å | |
| C24 | H34 | sing | 1.08Å | 1.08Å | |
| C29 | H39 | sing | 1.08Å | 1.08Å | |
| C28 | H37 | sing | 1.09Å | 1.10Å | |
| C28 | H36 | sing | 1.09Å | 1.10Å | |
| C28 | H38 | sing | 1.09Å | 1.10Å | |
| C22 | H33 | sing | 1.08Å | 1.08Å | |
| C21 | H32 | sing | 1.08Å | 1.08Å | |
| C19 | H30 | sing | 1.09Å | 1.10Å | |
| C19 | H31 | sing | 1.09Å | 1.10Å | |
| C19 | H29 | sing | 1.09Å | 1.10Å | |
| C16 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H26 | sing | 1.09Å | 1.10Å | |
| C15 | H27 | sing | 1.09Å | 1.10Å | |
| O5 | H25 | sing | 0.97Å | 0.95Å | |
| C2 | H9 | sing | 1.09Å | 1.10Å | |
| C2 | H10 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C | H6 | sing | 1.09Å | 1.10Å | |
| C | H5 | sing | 1.09Å | 1.10Å | |
| C | H4 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | O | C1 | 113.6° | 114.0° |
| O | C | H6 | 109.5° | 109.5° |
| O | C | H5 | 109.4° | 109.5° |
| O | C | H4 | 109.5° | 109.5° |
| O | C1 | C2 | 113.1° | 109.4° |
| O | C1 | H7 | 108.5° | 109.5° |
| O | C1 | H8 | 108.6° | 109.5° |
| C1 | C2 | O1 | 111.2° | 109.5° |
| C1 | C2 | H9 | 109.0° | 109.5° |
| C1 | C2 | H10 | 109.0° | 109.4° |
| C2 | C1 | H7 | 108.6° | 109.5° |
| C2 | C1 | H8 | 108.5° | 109.5° |
| C2 | O1 | C3 | 113.1° | 114.0° |
| O1 | C2 | H9 | 109.0° | 109.5° |
| O1 | C2 | H10 | 109.1° | 109.5° |
| O1 | C3 | C4 | 111.0° | 109.5° |
| O1 | C3 | H11 | 109.1° | 109.5° |
| O1 | C3 | H12 | 109.1° | 109.4° |
| C3 | C4 | O2 | 109.4° | 109.5° |
| C3 | C4 | H13 | 109.5° | 109.5° |
| C3 | C4 | H14 | 109.5° | 109.5° |
| C4 | C3 | H11 | 109.1° | 109.5° |
| C4 | C3 | H12 | 109.1° | 109.5° |
| C4 | O2 | C5 | 119.4° | 117.0° |
| O2 | C4 | H13 | 109.5° | 109.5° |
| O2 | C4 | H14 | 109.5° | 109.5° |
| O2 | C5 | N | 126.0° | 126.8° |
| O2 | C5 | C7 | 122.4° | 126.9° |
| C5 | N | O3 | 104.9° | 111.5° |
| N | C5 | C7 | 111.6° | 106.3° |
| N | O3 | C6 | 108.3° | 111.7° |
| O3 | C6 | C7 | 109.7° | 106.6° |
| O3 | C6 | C8 | 117.4° | 126.7° |
| C6 | C7 | C5 | 105.5° | 104.0° |
| C7 | C6 | C8 | 132.8° | 126.7° |
| C6 | C7 | H15 | 127.2° | 128.0° |
| C5 | C7 | H15 | 127.3° | 128.0° |
| C6 | C8 | C9 | 105.1° | 109.5° |
| C6 | C8 | C12 | 111.0° | 109.5° |
| C6 | C8 | H | 110.8° | 109.4° |
| C8 | C9 | C10 | 110.9° | 109.5° |
| C8 | C9 | C11 | 115.2° | 109.5° |
| C9 | C8 | C12 | 109.7° | 109.5° |
| C9 | C8 | H | 109.9° | 109.5° |
| C8 | C9 | H16 | 106.4° | 109.5° |
| C10 | C9 | C11 | 110.5° | 109.5° |
| C10 | C9 | H16 | 106.7° | 109.5° |
| C9 | C10 | H17 | 109.5° | 109.5° |
| C9 | C10 | H19 | 109.5° | 109.5° |
| C9 | C10 | H18 | 109.4° | 109.5° |
| C9 | C11 | H22 | 109.5° | 109.5° |
| C9 | C11 | H20 | 109.5° | 109.5° |
| C9 | C11 | H21 | 109.5° | 109.5° |
| C11 | C9 | H16 | 106.7° | 109.5° |
| C8 | C12 | O4 | 119.2° | 120.0° |
| C8 | C12 | N1 | 119.3° | 120.0° |
| C12 | C8 | H | 110.3° | 109.4° |
| O4 | C12 | N1 | 121.5° | 120.0° |
| C12 | N1 | C13 | 128.0° | 125.7° |
| C12 | N1 | C16 | 120.0° | 125.7° |
| N1 | C13 | C14 | 102.0° | 104.9° |
| C13 | N1 | C16 | 111.9° | 108.7° |
| N1 | C13 | H23 | 111.3° | 110.3° |
| N1 | C13 | H24 | 111.3° | 110.5° |
| C13 | C14 | O5 | 110.2° | 111.0° |
| C13 | C14 | C15 | 103.2° | 101.6° |
| C13 | C14 | H1 | 110.9° | 111.0° |
| C14 | C13 | H23 | 111.3° | 110.4° |
| C14 | C13 | H24 | 111.3° | 110.4° |
| O5 | C14 | C15 | 109.0° | 111.0° |
| O5 | C14 | H1 | 112.3° | 110.8° |
| C14 | O5 | H25 | 109.5° | 114.0° |
| C14 | C15 | C16 | 104.7° | 102.9° |
| C15 | C14 | H1 | 110.9° | 111.1° |
| C14 | C15 | H26 | 110.6° | 110.7° |
| C14 | C15 | H27 | 110.6° | 110.7° |
| C15 | C16 | N1 | 103.6° | 107.3° |
| C15 | C16 | C17 | 109.7° | 109.9° |
| C15 | C16 | H2 | 110.2° | 110.0° |
| C16 | C15 | H26 | 110.6° | 110.7° |
| C16 | C15 | H27 | 110.7° | 110.7° |
| N1 | C16 | C17 | 111.5° | 109.8° |
| N1 | C16 | H2 | 111.3° | 109.9° |
| C16 | C17 | O6 | 121.1° | 120.0° |
| C16 | C17 | N2 | 115.5° | 120.0° |
| C17 | C16 | H2 | 110.4° | 109.8° |
| O6 | C17 | N2 | 123.4° | 120.0° |
| C17 | N2 | C18 | 123.0° | 120.0° |
| C17 | N2 | H28 | 118.5° | 120.0° |
| N2 | C18 | C19 | 108.9° | 109.4° |
| N2 | C18 | C20 | 109.2° | 109.4° |
| C18 | N2 | H28 | 118.5° | 120.0° |
| N2 | C18 | H3 | 109.4° | 109.5° |
| C19 | C18 | C20 | 111.9° | 109.5° |
| C19 | C18 | H3 | 108.6° | 109.5° |
| C18 | C19 | H30 | 109.5° | 109.4° |
| C18 | C19 | H31 | 109.5° | 109.5° |
| C18 | C19 | H29 | 109.5° | 109.5° |
| C18 | C20 | C21 | 121.3° | 119.8° |
| C18 | C20 | C25 | 120.4° | 119.9° |
| C20 | C18 | H3 | 108.7° | 109.5° |
| C20 | C21 | C22 | 121.0° | 120.1° |
| C21 | C20 | C25 | 118.2° | 120.2° |
| C20 | C21 | H32 | 119.5° | 119.9° |
| C21 | C22 | C23 | 120.6° | 119.9° |
| C21 | C22 | H33 | 119.7° | 120.1° |
| C22 | C21 | H32 | 119.5° | 120.0° |
| C22 | C23 | C24 | 118.4° | 119.7° |
| C22 | C23 | C26 | 120.8° | 120.1° |
| C23 | C22 | H33 | 119.7° | 120.1° |
| C23 | C24 | C25 | 120.7° | 119.9° |
| C24 | C23 | C26 | 120.8° | 120.2° |
| C23 | C24 | H34 | 119.7° | 120.0° |
| C24 | C25 | C20 | 121.1° | 120.2° |
| C24 | C25 | H35 | 119.5° | 120.0° |
| C25 | C24 | H34 | 119.7° | 120.1° |
| C20 | C25 | H35 | 119.4° | 119.8° |
| C23 | C26 | C27 | 131.0° | 126.1° |
| C23 | C26 | S | 119.4° | 126.1° |
| C26 | C27 | C28 | 126.9° | 122.9° |
| C26 | C27 | N3 | 114.9° | 114.2° |
| C27 | C26 | S | 109.6° | 107.8° |
| C28 | C27 | N3 | 118.2° | 122.8° |
| C27 | C28 | H37 | 109.5° | 109.5° |
| C27 | C28 | H36 | 109.4° | 109.6° |
| C27 | C28 | H38 | 109.4° | 109.5° |
| C27 | N3 | C29 | 110.8° | 117.2° |
| N3 | C29 | S | 116.0° | 110.4° |
| N3 | C29 | H39 | 122.0° | 124.8° |
| C29 | S | C26 | 88.7° | 90.3° |
| S | C29 | H39 | 122.0° | 124.8° |
| H13 | C4 | H14 | 109.5° | 109.5° |
| H22 | C11 | H20 | 109.4° | 109.5° |
| H22 | C11 | H21 | 109.5° | 109.4° |
| H20 | C11 | H21 | 109.5° | 109.5° |
| H17 | C10 | H19 | 109.5° | 109.5° |
| H17 | C10 | H18 | 109.5° | 109.4° |
| H19 | C10 | H18 | 109.5° | 109.5° |
| H23 | C13 | H24 | 109.5° | 110.3° |
| H11 | C3 | H12 | 109.5° | 109.4° |
| H37 | C28 | H36 | 109.5° | 109.5° |
| H37 | C28 | H38 | 109.5° | 109.4° |
| H36 | C28 | H38 | 109.5° | 109.4° |
| H30 | C19 | H31 | 109.4° | 109.4° |
| H30 | C19 | H29 | 109.5° | 109.5° |
| H31 | C19 | H29 | 109.4° | 109.5° |
| H26 | C15 | H27 | 109.5° | 110.8° |
| H9 | C2 | H10 | 109.5° | 109.6° |
| H7 | C1 | H8 | 109.5° | 109.5° |
| H6 | C | H5 | 109.5° | 109.4° |
| H6 | C | H4 | 109.5° | 109.5° |
| H5 | C | H4 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | O | C1 | C2 | 178.0° | 180.0° |
| C | O | C1 | H7 | 57.4° | 60.0° |
| C | O | C1 | H8 | 61.5° | 60.0° |
| O | C | H6 | H5 | 120.0° | 120.0° |
| O | C | H6 | H4 | 120.0° | 120.1° |
| O | C | H5 | H4 | 120.0° | 120.0° |
| O | C1 | C2 | H7 | 120.5° | 120.0° |
| O | C1 | C2 | H8 | 120.6° | 120.0° |
| O | C1 | C2 | O1 | 60.4° | 65.0° |
| O | C1 | C2 | H9 | 59.8° | 55.0° |
| O | C1 | C2 | H10 | 179.3° | 175.0° |
| O | C1 | H7 | H8 | 118.3° | 120.0° |
| C1 | O | C | H6 | 180.0° | 59.9° |
| C1 | O | C | H5 | 60.0° | 60.0° |
| C1 | O | C | H4 | 60.0° | 180.0° |
| C1 | C2 | O1 | H9 | 120.2° | 120.0° |
| C1 | C2 | O1 | H10 | 120.2° | 119.9° |
| C1 | C2 | O1 | C3 | 157.1° | 180.0° |
| C1 | C2 | H9 | H10 | 119.2° | 120.0° |
| C2 | C1 | H7 | H8 | 118.3° | 120.0° |
| C2 | O1 | C3 | C4 | 117.9° | 180.0° |
| C2 | O1 | C3 | H11 | 121.9° | 59.9° |
| C2 | O1 | C3 | H12 | 2.3° | 60.0° |
| O1 | C2 | H9 | H10 | 119.2° | 120.0° |
| O1 | C2 | C1 | H7 | 179.1° | 175.0° |
| O1 | C2 | C1 | H8 | 60.1° | 55.0° |
| O1 | C3 | C4 | H11 | 120.2° | 120.0° |
| O1 | C3 | C4 | H12 | 120.2° | 120.0° |
| O1 | C3 | C4 | O2 | 85.7° | 65.0° |
| O1 | C3 | C4 | H13 | 34.3° | 175.0° |
| O1 | C3 | C4 | H14 | 154.3° | 55.0° |
| O1 | C3 | H11 | H12 | 119.3° | 119.9° |
| C3 | O1 | C2 | H9 | 36.8° | 60.0° |
| C3 | O1 | C2 | H10 | 82.7° | 60.1° |
| C3 | C4 | O2 | H13 | 120.0° | 120.0° |
| C3 | C4 | O2 | H14 | 120.0° | 120.0° |
| C3 | C4 | O2 | C5 | 155.6° | 180.0° |
| C3 | C4 | H13 | H14 | 120.0° | 120.0° |
| C4 | C3 | H11 | H12 | 119.3° | 120.0° |
| C4 | O2 | C5 | N | 0.9° | 0.1° |
| C4 | O2 | C5 | C7 | 179.0° | 179.7° |
| O2 | C4 | H13 | H14 | 120.0° | 120.0° |
| O2 | C4 | C3 | H11 | 154.1° | 175.0° |
| O2 | C4 | C3 | H12 | 34.5° | 55.0° |
| O2 | C5 | N | C7 | 180.0° | 179.7° |
| O2 | C5 | N | O3 | 180.0° | 179.7° |
| O2 | C5 | C7 | C6 | 179.2° | 179.7° |
| C5 | O2 | C4 | H13 | 35.6° | 60.0° |
| C5 | O2 | C4 | H14 | 84.4° | 60.0° |
| O2 | C5 | C7 | H15 | 0.8° | 0.2° |
| C5 | N | O3 | C6 | 0.8° | 0.0° |
| N | C5 | C7 | C6 | 0.7° | 0.0° |
| N | C5 | C7 | H15 | 179.3° | 180.0° |
| N | O3 | C6 | C7 | 1.3° | 0.0° |
| O3 | N | C5 | C7 | 0.0° | 0.0° |
| N | O3 | C6 | C8 | 179.0° | 180.0° |
| O3 | C6 | C7 | C8 | 177.3° | 180.0° |
| O3 | C6 | C7 | C5 | 1.2° | 0.0° |
| O3 | C6 | C8 | C9 | 127.3° | 60.0° |
| O3 | C6 | C8 | C12 | 114.1° | 60.0° |
| O3 | C6 | C7 | H15 | 178.7° | 180.0° |
| O3 | C6 | C8 | H | 8.7° | 180.0° |
| C6 | C7 | C5 | H15 | 180.0° | 180.0° |
| C7 | C6 | C8 | C9 | 55.6° | 120.0° |
| C7 | C6 | C8 | C12 | 63.0° | 120.0° |
| C7 | C6 | C8 | H | 174.2° | 0.0° |
| C5 | C7 | C6 | C8 | 178.5° | 180.0° |
| C6 | C8 | C9 | C12 | 119.4° | 120.0° |
| C6 | C8 | C9 | H | 119.2° | 120.0° |
| C6 | C8 | C9 | C10 | 176.6° | 175.0° |
| C6 | C8 | C9 | C11 | 56.9° | 55.0° |
| C6 | C8 | C12 | H | 123.1° | 120.0° |
| C6 | C8 | C12 | O4 | 49.3° | 92.9° |
| C6 | C8 | C12 | N1 | 130.9° | 87.1° |
| C8 | C6 | C7 | H15 | 1.5° | 0.0° |
| C6 | C8 | C9 | H16 | 61.0° | 65.0° |
| C8 | C9 | C10 | C11 | 129.0° | 120.0° |
| C8 | C9 | C10 | H16 | 115.4° | 120.0° |
| C8 | C9 | C11 | H16 | 117.8° | 120.0° |
| C9 | C8 | C12 | H | 121.2° | 120.0° |
| C9 | C8 | C12 | O4 | 66.5° | 27.1° |
| C9 | C8 | C12 | N1 | 113.3° | 152.9° |
| C8 | C9 | C11 | H22 | 180.0° | 60.0° |
| C8 | C9 | C11 | H20 | 60.0° | 180.0° |
| C8 | C9 | C11 | H21 | 60.0° | 60.0° |
| C8 | C9 | C10 | H17 | 180.0° | 175.3° |
| C8 | C9 | C10 | H19 | 60.0° | 55.3° |
| C8 | C9 | C10 | H18 | 60.0° | 64.7° |
| C10 | C9 | C11 | H16 | 115.6° | 120.0° |
| C10 | C9 | C8 | C12 | 57.2° | 65.0° |
| C10 | C9 | C11 | H22 | 53.3° | 180.0° |
| C10 | C9 | C11 | H20 | 66.7° | 60.0° |
| C10 | C9 | C11 | H21 | 173.3° | 60.0° |
| C10 | C9 | C8 | H | 64.2° | 55.0° |
| C9 | C10 | H17 | H19 | 120.0° | 120.0° |
| C9 | C10 | H17 | H18 | 120.0° | 120.0° |
| C9 | C10 | H19 | H18 | 120.0° | 120.0° |
| C11 | C9 | C8 | C12 | 176.3° | 175.0° |
| C9 | C11 | H22 | H20 | 120.0° | 120.0° |
| C9 | C11 | H22 | H21 | 120.0° | 120.0° |
| C9 | C11 | H20 | H21 | 120.0° | 120.0° |
| C11 | C9 | C8 | H | 62.3° | 65.0° |
| C11 | C9 | C10 | H17 | 51.0° | 64.7° |
| C11 | C9 | C10 | H19 | 171.0° | 175.3° |
| C11 | C9 | C10 | H18 | 69.0° | 55.3° |
| C8 | C12 | O4 | N1 | 179.8° | 180.0° |
| C8 | C12 | N1 | C13 | 4.5° | 5.0° |
| C8 | C12 | N1 | C16 | 175.2° | 175.0° |
| C12 | C8 | C9 | H16 | 58.4° | 55.0° |
| O4 | C12 | N1 | C13 | 175.3° | 175.0° |
| O4 | C12 | N1 | C16 | 5.0° | 5.0° |
| O4 | C12 | C8 | H | 172.4° | 147.1° |
| C12 | N1 | C13 | C16 | 179.7° | 180.0° |
| C12 | N1 | C13 | C14 | 152.3° | 155.9° |
| C12 | N1 | C16 | C15 | 173.7° | 179.0° |
| C12 | N1 | C16 | C17 | 68.4° | 61.6° |
| N1 | C12 | C8 | H | 7.8° | 32.9° |
| C12 | N1 | C13 | H23 | 33.5° | 85.2° |
| C12 | N1 | C13 | H24 | 88.9° | 37.0° |
| C12 | N1 | C16 | H2 | 55.3° | 59.4° |
| N1 | C13 | C14 | H23 | 118.8° | 118.8° |
| N1 | C13 | C14 | H24 | 118.8° | 119.0° |
| N1 | C13 | C14 | O5 | 78.9° | 81.1° |
| N1 | C13 | C14 | C15 | 37.4° | 37.0° |
| C13 | N1 | C16 | C15 | 6.1° | 1.0° |
| C13 | N1 | C16 | C17 | 111.9° | 118.4° |
| N1 | C13 | C14 | H1 | 156.1° | 155.1° |
| N1 | C13 | H23 | H24 | 123.5° | 122.3° |
| C13 | N1 | C16 | H2 | 124.5° | 120.6° |
| C13 | C14 | O5 | C15 | 112.5° | 112.2° |
| C13 | C14 | O5 | H1 | 124.2° | 123.9° |
| C13 | C14 | C15 | H1 | 118.8° | 118.1° |
| C13 | C14 | C15 | C16 | 34.6° | 35.5° |
| C14 | C13 | N1 | C16 | 27.5° | 24.1° |
| C14 | C13 | H23 | H24 | 123.4° | 122.2° |
| C13 | C14 | C15 | H26 | 153.8° | 153.9° |
| C13 | C14 | C15 | H27 | 84.7° | 82.9° |
| C13 | C14 | O5 | H25 | 180.0° | 67.8° |
| O5 | C14 | C15 | H1 | 124.2° | 123.7° |
| O5 | C14 | C15 | C16 | 82.5° | 82.6° |
| O5 | C14 | C13 | H23 | 39.9° | 160.1° |
| O5 | C14 | C13 | H24 | 162.3° | 37.9° |
| O5 | C14 | C15 | H26 | 36.7° | 35.7° |
| O5 | C14 | C15 | H27 | 158.3° | 159.0° |
| C14 | C15 | C16 | H26 | 119.2° | 118.4° |
| C14 | C15 | C16 | H27 | 119.2° | 118.3° |
| C14 | C15 | C16 | N1 | 18.0° | 22.2° |
| C14 | C15 | C16 | C17 | 137.2° | 141.6° |
| C15 | C14 | C13 | H23 | 156.2° | 81.9° |
| C15 | C14 | C13 | H24 | 81.4° | 155.9° |
| C14 | C15 | C16 | H2 | 101.1° | 97.4° |
| C14 | C15 | H26 | H27 | 122.2° | 123.2° |
| C15 | C14 | O5 | H25 | 67.5° | 180.0° |
| C15 | C16 | N1 | C17 | 117.9° | 119.4° |
| C15 | C16 | N1 | H2 | 118.4° | 119.6° |
| C15 | C16 | C17 | H2 | 121.6° | 121.1° |
| C15 | C16 | C17 | O6 | 81.0° | 117.8° |
| C15 | C16 | C17 | N2 | 100.6° | 62.1° |
| C16 | C15 | C14 | H1 | 153.4° | 153.6° |
| C16 | C15 | H26 | H27 | 122.3° | 123.3° |
| N1 | C16 | C17 | H2 | 124.2° | 121.0° |
| N1 | C16 | C17 | O6 | 33.2° | 0.1° |
| N1 | C16 | C17 | N2 | 145.2° | 180.0° |
| C16 | N1 | C13 | H23 | 146.3° | 94.8° |
| C16 | N1 | C13 | H24 | 91.3° | 143.0° |
| N1 | C16 | C15 | H26 | 137.3° | 140.6° |
| N1 | C16 | C15 | H27 | 101.2° | 96.1° |
| C16 | C17 | O6 | N2 | 178.3° | 179.9° |
| C16 | C17 | N2 | C18 | 177.4° | 180.0° |
| C16 | C17 | N2 | H28 | 2.6° | 0.0° |
| C17 | C16 | C15 | H26 | 103.6° | 100.0° |
| C17 | C16 | C15 | H27 | 18.0° | 23.3° |
| O6 | C17 | N2 | C18 | 4.2° | 0.0° |
| O6 | C17 | N2 | H28 | 175.8° | 180.0° |
| O6 | C17 | C16 | H2 | 157.4° | 121.1° |
| C17 | N2 | C18 | H28 | 180.0° | 180.0° |
| C17 | N2 | C18 | C19 | 150.7° | 85.0° |
| C17 | N2 | C18 | C20 | 86.8° | 155.0° |
| C17 | N2 | C18 | H3 | 32.1° | 35.0° |
| N2 | C17 | C16 | H2 | 21.1° | 59.0° |
| N2 | C18 | C19 | C20 | 120.9° | 120.0° |
| N2 | C18 | C19 | H3 | 119.1° | 120.0° |
| N2 | C18 | C20 | H3 | 119.3° | 120.0° |
| N2 | C18 | C20 | C21 | 137.0° | 140.0° |
| N2 | C18 | C20 | C25 | 38.9° | 39.7° |
| N2 | C18 | C19 | H30 | 180.0° | 60.0° |
| N2 | C18 | C19 | H31 | 60.0° | 180.0° |
| N2 | C18 | C19 | H29 | 60.0° | 60.0° |
| C19 | C18 | C20 | H3 | 120.0° | 120.0° |
| C19 | C18 | C20 | C21 | 102.3° | 100.0° |
| C19 | C18 | C20 | C25 | 81.8° | 80.3° |
| C19 | C18 | N2 | H28 | 29.3° | 95.0° |
| C18 | C19 | H30 | H31 | 120.0° | 120.0° |
| C18 | C19 | H30 | H29 | 120.0° | 120.0° |
| C18 | C19 | H31 | H29 | 120.0° | 120.0° |
| C18 | C20 | C21 | C25 | 176.0° | 179.7° |
| C18 | C20 | C21 | C22 | 178.7° | 179.7° |
| C18 | C20 | C25 | C24 | 178.4° | 180.0° |
| C20 | C18 | N2 | H28 | 93.2° | 25.0° |
| C18 | C20 | C25 | H35 | 1.6° | 0.0° |
| C18 | C20 | C21 | H32 | 1.3° | 0.0° |
| C20 | C18 | C19 | H30 | 59.1° | 59.9° |
| C20 | C18 | C19 | H31 | 179.1° | 60.0° |
| C20 | C18 | C19 | H29 | 60.9° | 180.0° |
| C20 | C21 | C22 | H32 | 180.0° | 179.8° |
| C20 | C21 | C22 | C23 | 1.2° | 0.5° |
| C21 | C20 | C25 | C24 | 2.4° | 0.3° |
| C21 | C20 | C18 | H3 | 17.7° | 20.0° |
| C21 | C20 | C25 | H35 | 177.6° | 179.7° |
| C20 | C21 | C22 | H33 | 178.8° | 179.7° |
| C21 | C22 | C23 | H33 | 180.0° | 179.7° |
| C21 | C22 | C23 | C24 | 0.6° | 0.3° |
| C22 | C21 | C20 | C25 | 2.7° | 0.5° |
| C21 | C22 | C23 | C26 | 179.2° | 179.7° |
| C22 | C23 | C24 | C26 | 178.6° | 180.0° |
| C22 | C23 | C24 | C25 | 1.0° | 0.0° |
| C22 | C23 | C26 | C27 | 58.6° | 48.1° |
| C22 | C23 | C26 | S | 120.7° | 131.9° |
| C22 | C23 | C24 | H34 | 179.0° | 180.0° |
| C23 | C22 | C21 | H32 | 178.8° | 179.7° |
| C23 | C24 | C25 | H34 | 180.0° | 180.0° |
| C23 | C24 | C25 | C20 | 0.6° | 0.1° |
| C24 | C23 | C26 | C27 | 122.9° | 131.9° |
| C24 | C23 | C26 | S | 57.8° | 48.1° |
| C23 | C24 | C25 | H35 | 179.4° | 180.0° |
| C24 | C23 | C22 | H33 | 179.4° | 180.0° |
| C24 | C25 | C20 | H35 | 180.0° | 180.0° |
| C25 | C24 | C23 | C26 | 179.6° | 180.0° |
| C25 | C20 | C18 | H3 | 158.2° | 159.7° |
| C20 | C25 | C24 | H34 | 179.4° | 180.0° |
| C25 | C20 | C21 | H32 | 177.3° | 179.7° |
| C23 | C26 | C27 | S | 179.4° | 180.0° |
| C23 | C26 | C27 | C28 | 1.1° | 0.0° |
| C23 | C26 | C27 | N3 | 179.7° | 180.0° |
| C23 | C26 | S | C29 | 179.7° | 180.0° |
| C26 | C23 | C24 | H34 | 0.4° | 0.0° |
| C26 | C23 | C22 | H33 | 0.8° | 0.0° |
| C26 | C27 | C28 | N3 | 178.6° | 180.0° |
| C26 | C27 | N3 | C29 | 1.3° | 0.0° |
| C27 | C26 | S | C29 | 0.3° | 0.0° |
| C26 | C27 | C28 | H37 | 178.6° | 94.1° |
| C26 | C27 | C28 | H36 | 61.4° | 145.8° |
| C26 | C27 | C28 | H38 | 58.6° | 25.8° |
| C28 | C27 | N3 | C29 | 179.9° | 180.0° |
| C28 | C27 | C26 | S | 179.6° | 180.0° |
| C27 | C28 | H37 | H36 | 120.0° | 120.1° |
| C27 | C28 | H37 | H38 | 120.0° | 120.0° |
| C27 | C28 | H36 | H38 | 120.0° | 120.0° |
| C27 | N3 | C29 | S | 1.1° | 0.0° |
| N3 | C27 | C26 | S | 0.9° | 0.0° |
| C27 | N3 | C29 | H39 | 178.9° | 180.0° |
| N3 | C27 | C28 | H37 | 0.0° | 85.9° |
| N3 | C27 | C28 | H36 | 120.0° | 34.1° |
| N3 | C27 | C28 | H38 | 120.0° | 154.2° |
| N3 | C29 | S | H39 | 180.0° | 180.0° |
| N3 | C29 | S | C26 | 0.5° | 0.0° |
| C26 | S | C29 | H39 | 179.5° | 180.0° |
| H13 | C4 | C3 | H11 | 85.9° | 55.0° |
| H13 | C4 | C3 | H12 | 154.5° | 65.0° |
| H14 | C4 | C3 | H11 | 34.1° | 65.0° |
| H14 | C4 | C3 | H12 | 85.5° | 175.0° |
| H1 | C14 | C13 | H23 | 85.1° | 36.3° |
| H1 | C14 | C13 | H24 | 37.3° | 85.9° |
| H1 | C14 | C15 | H26 | 87.4° | 88.0° |
| H1 | C14 | C15 | H27 | 34.1° | 35.3° |
| H1 | C14 | O5 | H25 | 55.8° | 56.1° |
| H22 | C11 | H20 | H21 | 120.0° | 120.0° |
| H22 | C11 | C9 | H16 | 62.2° | 60.0° |
| H20 | C11 | C9 | H16 | 177.8° | 60.0° |
| H21 | C11 | C9 | H16 | 57.7° | 180.0° |
| H | C8 | C9 | H16 | 179.7° | 175.0° |
| H16 | C9 | C10 | H17 | 64.6° | 55.3° |
| H16 | C9 | C10 | H19 | 55.4° | 64.7° |
| H16 | C9 | C10 | H18 | 175.4° | 175.3° |
| H17 | C10 | H19 | H18 | 120.0° | 120.0° |
| H28 | N2 | C18 | H3 | 147.9° | 145.0° |
| H3 | C18 | C19 | H30 | 60.9° | 180.0° |
| H3 | C18 | C19 | H31 | 59.1° | 60.1° |
| H3 | C18 | C19 | H29 | 179.1° | 60.0° |
| H35 | C25 | C24 | H34 | 0.6° | 0.0° |
| H37 | C28 | H36 | H38 | 120.0° | 119.9° |
| H33 | C22 | C21 | H32 | 1.2° | 0.0° |
| H30 | C19 | H31 | H29 | 120.0° | 120.1° |
| H2 | C16 | C15 | H26 | 18.1° | 21.0° |
| H2 | C16 | C15 | H27 | 139.7° | 144.3° |
| H9 | C2 | C1 | H7 | 60.7° | 65.0° |
| H9 | C2 | C1 | H8 | 179.6° | 174.9° |
| H10 | C2 | C1 | H7 | 58.8° | 55.0° |
| H10 | C2 | C1 | H8 | 60.1° | 65.0° |
| H6 | C | H5 | H4 | 120.0° | 120.0° |
