N1W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | sing | 1.43Å | 1.42Å | |
| C | C1 | sing | 1.53Å | 1.52Å | |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C1 | N | sing | 1.47Å | 1.46Å | |
| C2 | C3 | sing | 1.51Å | 1.51Å | |
| O1 | C9 | doub | 1.21Å | 1.23Å | |
| C4 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| N | C9 | sing | 1.35Å | 1.34Å | |
| C3 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.51Å | 1.53Å | |
| C5 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C28 | C27 | sing | 1.53Å | 1.52Å | |
| C8 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C27 | sing | 1.53Å | 1.54Å | |
| C10 | N1 | sing | 1.47Å | 1.45Å | |
| C27 | C29 | sing | 1.53Å | 1.53Å | |
| C6 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| N1 | C11 | sing | 1.35Å | 1.34Å | |
| C24 | C25 | sing | 1.53Å | 1.52Å | |
| C24 | C23 | sing | 1.54Å | 1.53Å | |
| C25 | N4 | sing | 1.46Å | 1.46Å | |
| N4 | C26 | doub | 1.29Å | 1.34Å | |
| C11 | C12 | sing | 1.51Å | 1.53Å | |
| C11 | O2 | doub | 1.21Å | 1.23Å | |
| C23 | C12 | sing | 1.53Å | 1.54Å | |
| C23 | N6 | sing | 1.47Å | 1.47Å | |
| C12 | N2 | sing | 1.46Å | 1.46Å | |
| C26 | N6 | sing | 1.37Å | 1.35Å | |
| C26 | N5 | sing | 1.37Å | 1.29Å | |
| O3 | C13 | doub | 1.22Å | 1.23Å | |
| N2 | C13 | sing | 1.35Å | 1.36Å | |
| C13 | N3 | sing | 1.35Å | 1.36Å | |
| O6 | C22 | doub | 1.21Å | 1.22Å | |
| O4 | C19 | sing | 1.36Å | 1.36Å | |
| N3 | C14 | sing | 1.47Å | 1.45Å | |
| C14 | C22 | sing | 1.51Å | 1.52Å | |
| C14 | C15 | sing | 1.53Å | 1.54Å | |
| C20 | C19 | doub | 1.39Å | 1.39Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | C18 | sing | 1.39Å | 1.39Å | Aromatic |
| C22 | O5 | sing | 1.34Å | 1.31Å | |
| C21 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.51Å | 1.51Å | |
| C8 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| N2 | H7 | sing | 0.97Å | 1.00Å | |
| N3 | H8 | sing | 0.97Å | 1.00Å | |
| C4 | H9 | sing | 1.08Å | 1.08Å | |
| O5 | H10 | sing | 0.97Å | 0.95Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C21 | H14 | sing | 1.08Å | 1.08Å | |
| C20 | H15 | sing | 1.08Å | 1.08Å | |
| O4 | H16 | sing | 0.97Å | 0.95Å | |
| C18 | H17 | sing | 1.08Å | 1.08Å | |
| C17 | H18 | sing | 1.08Å | 1.08Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C23 | H20 | sing | 1.09Å | 1.10Å | |
| N6 | H21 | sing | 0.97Å | 1.00Å | |
| N5 | H22 | sing | 0.97Å | 1.00Å | |
| N5 | H23 | sing | 0.97Å | 1.00Å | |
| C25 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C24 | H26 | sing | 1.09Å | 1.10Å | |
| C24 | H27 | sing | 1.09Å | 1.10Å | |
| C10 | H28 | sing | 1.09Å | 1.10Å | |
| C27 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H30 | sing | 1.09Å | 1.10Å | |
| C29 | H31 | sing | 1.09Å | 1.10Å | |
| C29 | H32 | sing | 1.09Å | 1.10Å | |
| C28 | H33 | sing | 1.09Å | 1.10Å | |
| C28 | H34 | sing | 1.09Å | 1.10Å | |
| C28 | H35 | sing | 1.09Å | 1.10Å | |
| N | H36 | sing | 0.97Å | 1.00Å | |
| C1 | H37 | sing | 1.09Å | 1.10Å | |
| C | H38 | sing | 1.09Å | 1.10Å | |
| C | H39 | sing | 1.09Å | 1.10Å | |
| O | H40 | sing | 0.97Å | 0.95Å | |
| C7 | H41 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | C1 | 112.6° | 109.5° |
| O | C | H38 | 108.7° | 109.5° |
| O | C | H39 | 108.7° | 109.5° |
| C | O | H40 | 109.5° | 114.0° |
| C | C1 | C2 | 112.5° | 109.4° |
| C | C1 | N | 108.5° | 109.5° |
| C | C1 | H37 | 108.3° | 109.5° |
| C1 | C | H38 | 108.7° | 109.4° |
| C1 | C | H39 | 108.7° | 109.5° |
| C2 | C1 | N | 110.3° | 109.5° |
| C1 | C2 | C3 | 113.5° | 109.5° |
| C1 | C2 | H5 | 108.5° | 109.5° |
| C1 | C2 | H6 | 108.4° | 109.5° |
| C2 | C1 | H37 | 108.2° | 109.5° |
| C1 | N | C9 | 124.2° | 120.0° |
| C1 | N | H36 | 117.9° | 120.0° |
| N | C1 | H37 | 109.1° | 109.5° |
| C2 | C3 | C4 | 120.7° | 120.1° |
| C2 | C3 | C8 | 120.9° | 120.0° |
| C3 | C2 | H5 | 108.4° | 109.4° |
| C3 | C2 | H6 | 108.4° | 109.4° |
| O1 | C9 | N | 123.3° | 120.0° |
| O1 | C9 | C10 | 120.6° | 120.1° |
| C3 | C4 | C5 | 120.8° | 120.0° |
| C4 | C3 | C8 | 118.3° | 120.0° |
| C3 | C4 | H9 | 119.6° | 120.0° |
| C4 | C5 | C6 | 120.2° | 120.0° |
| C4 | C5 | H2 | 119.9° | 120.0° |
| C5 | C4 | H9 | 119.6° | 120.0° |
| N | C9 | C10 | 116.1° | 120.0° |
| C9 | N | H36 | 117.9° | 120.0° |
| C3 | C8 | C7 | 120.8° | 120.0° |
| C3 | C8 | H1 | 119.6° | 120.0° |
| C9 | C10 | C27 | 111.2° | 109.5° |
| C9 | C10 | N1 | 110.3° | 109.4° |
| C9 | C10 | H28 | 107.6° | 109.5° |
| C5 | C6 | C7 | 119.6° | 120.0° |
| C6 | C5 | H2 | 119.9° | 120.0° |
| C5 | C6 | H3 | 120.2° | 120.0° |
| C28 | C27 | C10 | 111.7° | 109.5° |
| C28 | C27 | C29 | 110.7° | 109.5° |
| C28 | C27 | H29 | 107.5° | 109.5° |
| C27 | C28 | H33 | 109.5° | 109.4° |
| C27 | C28 | H34 | 109.5° | 109.4° |
| C27 | C28 | H35 | 109.5° | 109.5° |
| C8 | C7 | C6 | 120.3° | 120.0° |
| C7 | C8 | H1 | 119.6° | 120.0° |
| C8 | C7 | H41 | 119.9° | 120.0° |
| C27 | C10 | N1 | 111.7° | 109.5° |
| C10 | C27 | C29 | 112.0° | 109.5° |
| C27 | C10 | H28 | 107.4° | 109.5° |
| C10 | C27 | H29 | 107.3° | 109.4° |
| C10 | N1 | C11 | 122.9° | 120.0° |
| C10 | N1 | H4 | 118.6° | 120.0° |
| N1 | C10 | H28 | 108.5° | 109.4° |
| C29 | C27 | H29 | 107.4° | 109.5° |
| C27 | C29 | H30 | 109.5° | 109.5° |
| C27 | C29 | H31 | 109.4° | 109.5° |
| C27 | C29 | H32 | 109.5° | 109.5° |
| C7 | C6 | H3 | 120.2° | 120.0° |
| C6 | C7 | H41 | 119.9° | 120.0° |
| N1 | C11 | C12 | 116.2° | 120.0° |
| N1 | C11 | O2 | 123.3° | 120.0° |
| C11 | N1 | H4 | 118.5° | 120.0° |
| C25 | C24 | C23 | 110.4° | 108.5° |
| C24 | C25 | N4 | 110.3° | 110.6° |
| C24 | C25 | H24 | 109.3° | 109.2° |
| C24 | C25 | H25 | 109.3° | 109.2° |
| C25 | C24 | H26 | 109.2° | 109.6° |
| C25 | C24 | H27 | 109.2° | 109.6° |
| C24 | C23 | C12 | 112.8° | 109.9° |
| C24 | C23 | N6 | 108.9° | 107.4° |
| C24 | C23 | H20 | 108.1° | 110.0° |
| C23 | C24 | H26 | 109.2° | 109.7° |
| C23 | C24 | H27 | 109.2° | 109.6° |
| C25 | N4 | C26 | 123.4° | 123.7° |
| N4 | C25 | H24 | 109.3° | 109.2° |
| N4 | C25 | H25 | 109.3° | 109.3° |
| N4 | C26 | N6 | 119.0° | 122.3° |
| N4 | C26 | N5 | 125.3° | 118.8° |
| C12 | C11 | O2 | 120.5° | 120.0° |
| C11 | C12 | C23 | 109.5° | 109.4° |
| C11 | C12 | N2 | 111.0° | 109.5° |
| C11 | C12 | H19 | 107.8° | 109.5° |
| C12 | C23 | N6 | 110.0° | 109.8° |
| C23 | C12 | N2 | 112.1° | 109.5° |
| C23 | C12 | H19 | 107.6° | 109.5° |
| C12 | C23 | H20 | 108.0° | 109.9° |
| C23 | N6 | C26 | 124.8° | 118.7° |
| N6 | C23 | H20 | 108.9° | 109.9° |
| C23 | N6 | H21 | 117.6° | 120.7° |
| C12 | N2 | C13 | 122.2° | 120.0° |
| C12 | N2 | H7 | 118.9° | 120.1° |
| N2 | C12 | H19 | 108.7° | 109.5° |
| N6 | C26 | N5 | 115.7° | 118.9° |
| C26 | N6 | H21 | 117.6° | 120.6° |
| C26 | N5 | H22 | 120.0° | 120.0° |
| C26 | N5 | H23 | 120.0° | 120.1° |
| O3 | C13 | N2 | 122.8° | 120.0° |
| O3 | C13 | N3 | 122.6° | 120.0° |
| N2 | C13 | N3 | 114.6° | 120.0° |
| C13 | N2 | H7 | 118.9° | 119.9° |
| C13 | N3 | C14 | 121.1° | 120.0° |
| C13 | N3 | H8 | 119.4° | 120.0° |
| O6 | C22 | C14 | 122.2° | 120.0° |
| O6 | C22 | O5 | 124.3° | 120.0° |
| O4 | C19 | C20 | 120.2° | 120.0° |
| O4 | C19 | C18 | 120.1° | 120.1° |
| C19 | O4 | H16 | 109.5° | 114.0° |
| N3 | C14 | C22 | 111.5° | 109.4° |
| N3 | C14 | C15 | 111.2° | 109.4° |
| C14 | N3 | H8 | 119.4° | 120.0° |
| N3 | C14 | H11 | 108.3° | 109.5° |
| C22 | C14 | C15 | 110.8° | 109.5° |
| C14 | C22 | O5 | 113.5° | 119.9° |
| C22 | C14 | H11 | 107.5° | 109.5° |
| C14 | C15 | C16 | 113.0° | 109.5° |
| C15 | C14 | H11 | 107.3° | 109.5° |
| C14 | C15 | H12 | 108.6° | 109.4° |
| C14 | C15 | H13 | 108.6° | 109.5° |
| C19 | C20 | C21 | 119.9° | 120.0° |
| C20 | C19 | C18 | 119.6° | 119.9° |
| C19 | C20 | H15 | 120.0° | 120.0° |
| C20 | C21 | C16 | 121.1° | 120.0° |
| C20 | C21 | H14 | 119.4° | 120.0° |
| C21 | C20 | H15 | 120.1° | 120.0° |
| C19 | C18 | C17 | 119.9° | 119.9° |
| C19 | C18 | H17 | 120.1° | 120.0° |
| C22 | O5 | H10 | 109.5° | 117.0° |
| C21 | C16 | C17 | 118.4° | 120.2° |
| C21 | C16 | C15 | 120.8° | 119.9° |
| C16 | C21 | H14 | 119.4° | 120.0° |
| C18 | C17 | C16 | 121.1° | 120.1° |
| C17 | C18 | H17 | 120.1° | 120.1° |
| C18 | C17 | H18 | 119.5° | 119.9° |
| C17 | C16 | C15 | 120.8° | 119.9° |
| C16 | C17 | H18 | 119.5° | 120.0° |
| C16 | C15 | H12 | 108.6° | 109.5° |
| C16 | C15 | H13 | 108.6° | 109.5° |
| H5 | C2 | H6 | 109.5° | 109.5° |
| H12 | C15 | H13 | 109.5° | 109.5° |
| H22 | N5 | H23 | 120.0° | 119.9° |
| H24 | C25 | H25 | 109.5° | 109.2° |
| H26 | C24 | H27 | 109.5° | 109.8° |
| H30 | C29 | H31 | 109.5° | 109.5° |
| H30 | C29 | H32 | 109.5° | 109.4° |
| H31 | C29 | H32 | 109.5° | 109.5° |
| H33 | C28 | H34 | 109.5° | 109.5° |
| H33 | C28 | H35 | 109.4° | 109.5° |
| H34 | C28 | H35 | 109.5° | 109.5° |
| H38 | C | H39 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | C1 | H38 | 120.5° | 120.0° |
| O | C | C1 | H39 | 120.4° | 120.1° |
| O | C | C1 | C2 | 64.8° | 55.0° |
| O | C | C1 | N | 172.9° | 65.0° |
| O | C | C1 | H37 | 54.7° | 175.0° |
| O | C | H38 | H39 | 118.5° | 120.0° |
| C | C1 | C2 | N | 121.2° | 120.0° |
| C | C1 | C2 | H37 | 119.6° | 120.0° |
| C | C1 | N | H37 | 117.8° | 120.0° |
| C | C1 | C2 | C3 | 179.1° | 175.0° |
| C | C1 | N | C9 | 112.2° | 85.0° |
| C | C1 | C2 | H5 | 58.5° | 65.0° |
| C | C1 | C2 | H6 | 60.3° | 55.0° |
| C | C1 | N | H36 | 67.8° | 94.9° |
| C1 | C | H38 | H39 | 118.6° | 120.0° |
| C1 | C | O | H40 | 180.0° | 180.0° |
| C2 | C1 | N | H37 | 118.6° | 120.0° |
| C1 | C2 | C3 | H5 | 120.6° | 120.0° |
| C1 | C2 | C3 | H6 | 120.6° | 120.0° |
| C1 | C2 | C3 | C4 | 104.2° | 90.0° |
| C2 | C1 | N | C9 | 124.3° | 155.0° |
| C1 | C2 | C3 | C8 | 75.2° | 90.0° |
| C1 | C2 | H5 | H6 | 118.1° | 120.1° |
| C2 | C1 | N | H36 | 55.7° | 25.0° |
| C2 | C1 | C | H38 | 174.7° | 175.0° |
| C2 | C1 | C | H39 | 55.6° | 65.1° |
| N | C1 | C2 | C3 | 57.9° | 65.0° |
| C1 | N | C9 | O1 | 11.4° | 4.9° |
| C1 | N | C9 | H36 | 180.0° | 179.9° |
| C1 | N | C9 | C10 | 169.4° | 175.0° |
| N | C1 | C2 | H5 | 62.7° | 55.0° |
| N | C1 | C2 | H6 | 178.5° | 175.0° |
| N | C1 | C | H38 | 52.5° | 55.0° |
| N | C1 | C | H39 | 66.6° | 174.9° |
| C2 | C3 | C4 | C8 | 179.4° | 180.0° |
| C2 | C3 | C4 | C5 | 179.2° | 179.4° |
| C2 | C3 | C8 | C7 | 179.0° | 180.0° |
| C2 | C3 | C8 | H1 | 1.0° | 0.4° |
| C3 | C2 | H5 | H6 | 118.1° | 120.0° |
| C2 | C3 | C4 | H9 | 0.8° | 0.0° |
| C3 | C2 | C1 | H37 | 61.3° | 55.1° |
| O1 | C9 | N | C10 | 179.2° | 179.9° |
| O1 | C9 | C10 | C27 | 99.6° | 104.6° |
| O1 | C9 | C10 | N1 | 24.9° | 15.4° |
| O1 | C9 | C10 | H28 | 143.1° | 135.3° |
| O1 | C9 | N | H36 | 168.5° | 175.0° |
| C3 | C4 | C5 | H9 | 180.0° | 179.4° |
| C3 | C4 | C5 | C6 | 0.2° | 0.9° |
| C4 | C3 | C8 | C7 | 0.4° | 0.0° |
| C4 | C3 | C8 | H1 | 179.5° | 179.7° |
| C3 | C4 | C5 | H2 | 179.9° | 179.7° |
| C4 | C3 | C2 | H5 | 135.2° | 30.0° |
| C4 | C3 | C2 | H6 | 16.4° | 150.0° |
| C5 | C4 | C3 | C8 | 0.2° | 0.6° |
| C4 | C5 | C6 | H2 | 180.0° | 179.3° |
| C4 | C5 | C6 | C7 | 0.3° | 0.7° |
| C4 | C5 | C6 | H3 | 179.7° | 180.0° |
| N | C9 | C10 | C27 | 79.6° | 75.5° |
| N | C9 | C10 | N1 | 155.9° | 164.5° |
| N | C9 | C10 | H28 | 37.7° | 44.6° |
| C9 | N | C1 | H37 | 5.6° | 35.0° |
| C3 | C8 | C7 | H1 | 180.0° | 179.6° |
| C3 | C8 | C7 | C6 | 0.3° | 0.3° |
| C8 | C3 | C2 | H5 | 45.4° | 150.0° |
| C8 | C3 | C2 | H6 | 164.2° | 30.0° |
| C8 | C3 | C4 | H9 | 179.8° | 180.0° |
| C3 | C8 | C7 | H41 | 179.6° | 179.7° |
| C9 | C10 | C27 | C28 | 63.3° | 65.9° |
| C9 | C10 | C27 | N1 | 123.6° | 119.9° |
| C9 | C10 | C27 | H28 | 117.5° | 120.1° |
| C9 | C10 | N1 | H28 | 117.6° | 120.0° |
| C9 | C10 | C27 | C29 | 171.8° | 174.1° |
| C9 | C10 | N1 | C11 | 139.3° | 155.0° |
| C9 | C10 | N1 | H4 | 40.7° | 25.0° |
| C9 | C10 | C27 | H29 | 54.2° | 54.1° |
| C10 | C9 | N | H36 | 10.6° | 5.1° |
| C5 | C6 | C7 | C8 | 0.0° | 0.1° |
| C5 | C6 | C7 | H3 | 180.0° | 179.3° |
| C6 | C5 | C4 | H9 | 179.8° | 179.7° |
| C5 | C6 | C7 | H41 | 180.0° | 179.9° |
| C28 | C27 | C10 | C29 | 124.8° | 120.0° |
| C28 | C27 | C10 | H29 | 117.5° | 120.0° |
| C28 | C27 | C10 | N1 | 60.3° | 54.0° |
| C28 | C27 | C29 | H29 | 117.1° | 120.0° |
| C28 | C27 | C10 | H28 | 179.2° | 174.0° |
| C28 | C27 | C29 | H30 | 180.0° | 54.3° |
| C28 | C27 | C29 | H31 | 60.0° | 65.7° |
| C28 | C27 | C29 | H32 | 60.0° | 174.2° |
| C27 | C28 | H33 | H34 | 120.0° | 120.0° |
| C27 | C28 | H33 | H35 | 120.0° | 120.0° |
| C27 | C28 | H34 | H35 | 120.0° | 120.0° |
| C8 | C7 | C6 | H41 | 180.0° | 180.0° |
| C8 | C7 | C6 | H3 | 180.0° | 179.3° |
| C27 | C10 | N1 | H28 | 118.2° | 120.1° |
| C10 | C27 | C29 | H29 | 117.5° | 120.0° |
| C27 | C10 | N1 | C11 | 96.6° | 85.0° |
| C27 | C10 | N1 | H4 | 83.4° | 94.9° |
| C10 | C27 | C29 | H30 | 54.6° | 65.7° |
| C10 | C27 | C29 | H31 | 65.4° | 174.2° |
| C10 | C27 | C29 | H32 | 174.6° | 54.2° |
| C10 | C27 | C28 | H33 | 180.0° | 60.0° |
| C10 | C27 | C28 | H34 | 60.0° | 180.0° |
| C10 | C27 | C28 | H35 | 60.0° | 60.0° |
| N1 | C10 | C27 | C29 | 64.5° | 66.0° |
| C10 | N1 | C11 | H4 | 180.0° | 179.9° |
| C10 | N1 | C11 | C12 | 171.9° | 175.8° |
| C10 | N1 | C11 | O2 | 9.3° | 4.2° |
| N1 | C10 | C27 | H29 | 177.9° | 174.0° |
| C29 | C27 | C10 | H28 | 54.4° | 54.0° |
| C27 | C29 | H30 | H31 | 120.0° | 120.0° |
| C27 | C29 | H30 | H32 | 120.0° | 120.0° |
| C27 | C29 | H31 | H32 | 120.0° | 120.0° |
| C29 | C27 | C28 | H33 | 54.5° | 180.0° |
| C29 | C27 | C28 | H34 | 65.6° | 60.0° |
| C29 | C27 | C28 | H35 | 174.5° | 60.0° |
| C6 | C7 | C8 | H1 | 179.6° | 179.9° |
| C7 | C6 | C5 | H2 | 179.8° | 180.0° |
| N1 | C11 | C12 | O2 | 178.9° | 180.0° |
| N1 | C11 | C12 | C23 | 100.1° | 88.1° |
| N1 | C11 | C12 | N2 | 135.6° | 151.9° |
| N1 | C11 | C12 | H19 | 16.7° | 31.8° |
| C11 | N1 | C10 | H28 | 21.7° | 35.1° |
| C25 | C24 | C23 | H26 | 120.1° | 119.7° |
| C25 | C24 | C23 | H27 | 120.1° | 119.7° |
| C24 | C25 | N4 | H24 | 120.1° | 120.3° |
| C24 | C25 | N4 | H25 | 120.2° | 120.3° |
| C24 | C25 | N4 | C26 | 27.6° | 20.7° |
| C25 | C24 | C23 | C12 | 172.6° | 178.9° |
| C25 | C24 | C23 | N6 | 50.2° | 59.5° |
| C25 | C24 | C23 | H20 | 68.0° | 60.1° |
| C24 | C25 | H24 | H25 | 119.6° | 119.4° |
| C25 | C24 | H26 | H27 | 119.5° | 120.5° |
| C23 | C24 | C25 | N4 | 51.9° | 49.4° |
| C24 | C23 | C12 | C11 | 73.6° | 179.4° |
| C24 | C23 | C12 | N6 | 121.8° | 117.9° |
| C24 | C23 | C12 | H20 | 119.4° | 121.1° |
| C24 | C23 | N6 | H20 | 117.7° | 119.6° |
| C24 | C23 | C12 | N2 | 162.7° | 60.6° |
| C24 | C23 | N6 | C26 | 25.1° | 42.4° |
| C24 | C23 | C12 | H19 | 43.3° | 59.5° |
| C24 | C23 | N6 | H21 | 154.9° | 137.7° |
| C23 | C24 | C25 | H24 | 172.0° | 70.9° |
| C23 | C24 | C25 | H25 | 68.3° | 169.7° |
| C23 | C24 | H26 | H27 | 119.6° | 120.5° |
| C25 | N4 | C26 | N6 | 0.5° | 0.9° |
| C25 | N4 | C26 | N5 | 179.5° | 179.1° |
| N4 | C25 | H24 | H25 | 119.6° | 119.5° |
| N4 | C25 | C24 | H26 | 172.0° | 70.3° |
| N4 | C25 | C24 | H27 | 68.3° | 169.1° |
| N4 | C26 | N6 | C23 | 0.6° | 12.9° |
| N4 | C26 | N6 | N5 | 180.0° | 179.9° |
| N4 | C26 | N6 | H21 | 179.4° | 167.1° |
| N4 | C26 | N5 | H22 | 0.0° | 180.0° |
| N4 | C26 | N5 | H23 | 180.0° | 0.0° |
| C26 | N4 | C25 | H24 | 147.7° | 99.5° |
| C26 | N4 | C25 | H25 | 92.6° | 141.0° |
| C11 | C12 | C23 | N2 | 123.7° | 120.0° |
| C11 | C12 | C23 | H19 | 116.9° | 120.0° |
| C11 | C12 | C23 | N6 | 48.2° | 61.6° |
| C11 | C12 | N2 | H19 | 118.4° | 120.0° |
| C11 | C12 | N2 | C13 | 82.2° | 155.0° |
| C12 | C11 | N1 | H4 | 8.1° | 4.3° |
| C11 | C12 | N2 | H7 | 97.8° | 25.0° |
| C11 | C12 | C23 | H20 | 166.9° | 59.4° |
| O2 | C11 | C12 | C23 | 78.8° | 91.9° |
| O2 | C11 | C12 | N2 | 45.5° | 28.1° |
| O2 | C11 | N1 | H4 | 170.7° | 175.7° |
| O2 | C11 | C12 | H19 | 164.4° | 148.1° |
| C12 | C23 | N6 | H20 | 118.2° | 121.0° |
| C23 | C12 | N2 | H19 | 118.8° | 120.0° |
| C12 | C23 | N6 | C26 | 149.3° | 161.8° |
| C23 | C12 | N2 | C13 | 155.0° | 85.0° |
| C23 | C12 | N2 | H7 | 25.0° | 95.0° |
| C12 | C23 | N6 | H21 | 30.8° | 18.3° |
| C12 | C23 | C24 | H26 | 67.2° | 59.1° |
| C12 | C23 | C24 | H27 | 52.5° | 61.5° |
| N6 | C23 | C12 | N2 | 75.5° | 178.4° |
| C23 | N6 | C26 | H21 | 180.0° | 179.9° |
| C23 | N6 | C26 | N5 | 179.4° | 167.1° |
| N6 | C23 | C12 | H19 | 165.1° | 58.4° |
| N6 | C23 | C24 | H26 | 170.3° | 60.3° |
| N6 | C23 | C24 | H27 | 69.9° | 179.1° |
| C12 | N2 | C13 | O3 | 15.8° | 0.0° |
| C12 | N2 | C13 | H7 | 180.0° | 180.0° |
| C12 | N2 | C13 | N3 | 164.1° | 180.0° |
| N2 | C12 | C23 | H20 | 43.3° | 60.6° |
| C26 | N6 | C23 | H20 | 92.6° | 77.2° |
| N6 | C26 | N5 | H22 | 179.9° | 0.0° |
| N6 | C26 | N5 | H23 | 0.1° | 180.0° |
| N5 | C26 | N6 | H21 | 0.6° | 12.8° |
| C26 | N5 | H22 | H23 | 180.0° | 180.0° |
| O3 | C13 | N2 | N3 | 179.9° | 180.0° |
| O3 | C13 | N3 | C14 | 74.3° | 0.0° |
| O3 | C13 | N2 | H7 | 164.3° | 180.0° |
| O3 | C13 | N3 | H8 | 105.7° | 180.0° |
| N2 | C13 | N3 | C14 | 105.5° | 180.0° |
| N2 | C13 | N3 | H8 | 74.5° | 0.0° |
| C13 | N2 | C12 | H19 | 36.1° | 35.0° |
| C13 | N3 | C14 | H8 | 180.0° | 180.0° |
| C13 | N3 | C14 | C22 | 102.3° | 85.0° |
| C13 | N3 | C14 | C15 | 133.4° | 155.0° |
| N3 | C13 | N2 | H7 | 15.9° | 0.0° |
| C13 | N3 | C14 | H11 | 15.7° | 35.0° |
| O6 | C22 | C14 | N3 | 107.2° | 0.1° |
| O6 | C22 | C14 | O5 | 180.0° | 180.0° |
| O6 | C22 | C14 | C15 | 128.4° | 120.0° |
| O6 | C22 | O5 | H10 | 0.0° | 0.0° |
| O6 | C22 | C14 | H11 | 11.4° | 119.9° |
| O4 | C19 | C20 | C18 | 179.5° | 180.0° |
| O4 | C19 | C20 | C21 | 179.1° | 180.0° |
| O4 | C19 | C18 | C17 | 179.1° | 180.0° |
| O4 | C19 | C20 | H15 | 0.9° | 0.1° |
| O4 | C19 | C18 | H17 | 1.0° | 0.0° |
| N3 | C14 | C22 | C15 | 124.5° | 119.9° |
| N3 | C14 | C22 | H11 | 118.6° | 120.0° |
| N3 | C14 | C15 | H11 | 118.3° | 120.0° |
| N3 | C14 | C22 | O5 | 72.8° | 180.0° |
| N3 | C14 | C15 | C16 | 136.2° | 65.0° |
| N3 | C14 | C15 | H12 | 103.3° | 175.0° |
| N3 | C14 | C15 | H13 | 15.6° | 55.0° |
| C22 | C14 | C15 | H11 | 117.1° | 120.1° |
| C22 | C14 | C15 | C16 | 99.2° | 175.0° |
| C22 | C14 | N3 | H8 | 77.7° | 95.0° |
| C14 | C22 | O5 | H10 | 180.0° | 179.9° |
| C22 | C14 | C15 | H12 | 21.3° | 55.1° |
| C22 | C14 | C15 | H13 | 140.3° | 64.9° |
| C15 | C14 | C22 | O5 | 51.7° | 60.0° |
| C14 | C15 | C16 | C21 | 62.3° | 89.8° |
| C14 | C15 | C16 | C17 | 115.9° | 89.9° |
| C14 | C15 | C16 | H12 | 120.5° | 120.0° |
| C14 | C15 | C16 | H13 | 120.5° | 120.0° |
| C15 | C14 | N3 | H8 | 46.6° | 25.0° |
| C14 | C15 | H12 | H13 | 118.4° | 120.0° |
| C19 | C20 | C21 | H15 | 180.0° | 179.9° |
| C19 | C20 | C21 | C16 | 0.2° | 0.1° |
| C20 | C19 | C18 | C17 | 0.5° | 0.0° |
| C19 | C20 | C21 | H14 | 179.8° | 180.0° |
| C20 | C19 | O4 | H16 | 180.0° | 90.0° |
| C20 | C19 | C18 | H17 | 179.5° | 180.0° |
| C21 | C20 | C19 | C18 | 0.4° | 0.1° |
| C20 | C21 | C16 | H14 | 180.0° | 179.9° |
| C20 | C21 | C16 | C17 | 0.8° | 0.0° |
| C20 | C21 | C16 | C15 | 177.5° | 179.7° |
| C19 | C18 | C17 | H17 | 180.0° | 180.0° |
| C19 | C18 | C17 | C16 | 0.1° | 0.0° |
| C18 | C19 | C20 | H15 | 179.6° | 179.9° |
| C18 | C19 | O4 | H16 | 0.5° | 89.9° |
| C19 | C18 | C17 | H18 | 179.9° | 179.8° |
| O5 | C22 | C14 | H11 | 168.6° | 60.0° |
| C21 | C16 | C17 | C18 | 0.7° | 0.0° |
| C21 | C16 | C17 | C15 | 178.3° | 179.7° |
| C21 | C16 | C15 | H12 | 58.2° | 150.3° |
| C21 | C16 | C15 | H13 | 177.1° | 30.3° |
| C16 | C21 | C20 | H15 | 179.8° | 179.9° |
| C21 | C16 | C17 | H18 | 179.3° | 179.7° |
| C18 | C17 | C16 | H18 | 180.0° | 179.8° |
| C18 | C17 | C16 | C15 | 177.5° | 179.7° |
| C17 | C16 | C15 | H12 | 123.6° | 30.0° |
| C17 | C16 | C15 | H13 | 4.6° | 150.0° |
| C17 | C16 | C21 | H14 | 179.2° | 179.9° |
| C16 | C17 | C18 | H17 | 179.9° | 179.9° |
| C16 | C15 | C14 | H11 | 17.9° | 55.0° |
| C16 | C15 | H12 | H13 | 118.4° | 120.0° |
| C15 | C16 | C21 | H14 | 2.5° | 0.2° |
| C15 | C16 | C17 | H18 | 2.4° | 0.1° |
| H1 | C8 | C7 | H41 | 0.4° | 0.1° |
| H2 | C5 | C6 | H3 | 0.2° | 0.7° |
| H2 | C5 | C4 | H9 | 0.1° | 0.3° |
| H3 | C6 | C7 | H41 | 0.0° | 0.7° |
| H4 | N1 | C10 | H28 | 158.3° | 145.0° |
| H5 | C2 | C1 | H37 | 178.1° | 175.0° |
| H6 | C2 | C1 | H37 | 59.3° | 64.9° |
| H7 | N2 | C12 | H19 | 143.8° | 145.0° |
| H8 | N3 | C14 | H11 | 164.2° | 145.0° |
| H11 | C14 | C15 | H12 | 138.4° | 65.0° |
| H11 | C14 | C15 | H13 | 102.6° | 175.0° |
| H14 | C21 | C20 | H15 | 0.2° | 0.1° |
| H17 | C18 | C17 | H18 | 0.1° | 0.3° |
| H19 | C12 | C23 | H20 | 76.2° | 179.4° |
| H20 | C23 | N6 | H21 | 87.4° | 102.7° |
| H20 | C23 | C24 | H26 | 52.1° | 179.8° |
| H20 | C23 | C24 | H27 | 171.9° | 59.6° |
| H24 | C25 | C24 | H26 | 67.8° | 169.4° |
| H24 | C25 | C24 | H27 | 51.9° | 48.8° |
| H25 | C25 | C24 | H26 | 51.9° | 50.0° |
| H25 | C25 | C24 | H27 | 171.6° | 70.6° |
| H28 | C10 | C27 | H29 | 63.2° | 66.0° |
| H29 | C27 | C29 | H30 | 62.9° | 174.3° |
| H29 | C27 | C29 | H31 | 177.1° | 54.3° |
| H29 | C27 | C29 | H32 | 57.1° | 65.8° |
| H29 | C27 | C28 | H33 | 62.6° | 60.0° |
| H29 | C27 | C28 | H34 | 177.4° | 60.0° |
| H29 | C27 | C28 | H35 | 57.4° | 180.0° |
| H30 | C29 | H31 | H32 | 120.0° | 119.9° |
| H33 | C28 | H34 | H35 | 120.0° | 120.0° |
| H36 | N | C1 | H37 | 174.4° | 145.0° |
| H37 | C1 | C | H38 | 65.8° | 65.0° |
| H37 | C1 | C | H39 | 175.1° | 54.9° |
| H38 | C | O | H40 | 59.5° | 60.0° |
| H39 | C | O | H40 | 59.5° | 59.9° |
