3OT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | sing | 1.43Å | 1.41Å | |
| O1 | C2 | sing | 1.35Å | 1.36Å | |
| O2 | C8 | doub | 1.22Å | 1.23Å | |
| C23 | C24 | sing | 1.51Å | 1.49Å | |
| C23 | C22 | sing | 1.53Å | 1.53Å | |
| C2 | C8 | sing | 1.46Å | 1.48Å | |
| C2 | C3 | doub | 1.38Å | 1.35Å | |
| C29 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C29 | C28 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | C7 | sing | 1.41Å | 1.46Å | |
| N1 | C13 | sing | 1.36Å | 1.41Å | Aromatic |
| N1 | C15 | doub | 1.30Å | 1.35Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.40Å | 1.43Å | |
| C22 | C15 | sing | 1.51Å | 1.48Å | |
| C28 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C13 | doub | 1.39Å | 1.40Å | Aromatic |
| C14 | C9 | sing | 1.39Å | 1.38Å | Aromatic |
| C13 | C12 | sing | 1.41Å | 1.42Å | Aromatic |
| C15 | N2 | sing | 1.36Å | 1.41Å | Aromatic |
| C25 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C6 | doub | 1.38Å | 1.34Å | |
| C4 | C9 | sing | 1.48Å | 1.47Å | |
| C4 | C5 | doub | 1.39Å | 1.35Å | |
| C27 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | C10 | doub | 1.40Å | 1.42Å | Aromatic |
| C6 | C5 | sing | 1.39Å | 1.43Å | |
| N2 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| N2 | C16 | sing | 1.47Å | 1.46Å | |
| C12 | C11 | doub | 1.39Å | 1.40Å | Aromatic |
| C10 | C11 | sing | 1.37Å | 1.38Å | Aromatic |
| C16 | C17 | sing | 1.53Å | 1.55Å | |
| C17 | N3 | sing | 1.47Å | 1.49Å | |
| N3 | C21 | sing | 1.47Å | 1.49Å | |
| N3 | C18 | sing | 1.47Å | 1.49Å | |
| C20 | C21 | sing | 1.53Å | 1.54Å | |
| C20 | O3 | sing | 1.43Å | 1.40Å | |
| C19 | C18 | sing | 1.53Å | 1.54Å | |
| C19 | O3 | sing | 1.43Å | 1.40Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C20 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| C26 | H28 | sing | 1.08Å | 1.08Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C10 | H8 | sing | 1.08Å | 1.08Å | |
| C11 | H9 | sing | 1.08Å | 1.08Å | |
| C14 | H10 | sing | 1.08Å | 1.08Å | |
| C17 | H13 | sing | 1.09Å | 1.10Å | |
| C17 | H14 | sing | 1.09Å | 1.10Å | |
| C22 | H23 | sing | 1.09Å | 1.10Å | |
| C22 | H24 | sing | 1.09Å | 1.10Å | |
| C23 | H25 | sing | 1.09Å | 1.10Å | |
| C23 | H26 | sing | 1.09Å | 1.10Å | |
| C25 | H27 | sing | 1.08Å | 1.08Å | |
| C27 | H29 | sing | 1.08Å | 1.08Å | |
| C28 | H30 | sing | 1.08Å | 1.08Å | |
| C29 | H31 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | O1 | C2 | 119.4° | 117.0° |
| O1 | C1 | H2 | 109.5° | 109.5° |
| O1 | C1 | H1 | 109.5° | 109.5° |
| O1 | C1 | H3 | 109.5° | 109.5° |
| O1 | C2 | C8 | 105.8° | 116.1° |
| O1 | C2 | C3 | 122.9° | 116.0° |
| O2 | C8 | C2 | 118.7° | 116.0° |
| O2 | C8 | C7 | 119.4° | 116.1° |
| C24 | C23 | C22 | 109.9° | 109.4° |
| C23 | C24 | C29 | 120.8° | 120.0° |
| C23 | C24 | C25 | 119.5° | 120.0° |
| C24 | C23 | H25 | 109.4° | 109.5° |
| C24 | C23 | H26 | 109.4° | 109.5° |
| C23 | C22 | C15 | 110.8° | 109.5° |
| C23 | C22 | H23 | 109.1° | 109.5° |
| C23 | C22 | H24 | 109.1° | 109.5° |
| C22 | C23 | H25 | 109.4° | 109.5° |
| C22 | C23 | H26 | 109.4° | 109.5° |
| C8 | C2 | C3 | 131.3° | 127.8° |
| C2 | C8 | C7 | 121.9° | 127.9° |
| C2 | C3 | C4 | 129.2° | 128.3° |
| C2 | C3 | H4 | 115.4° | 115.9° |
| C24 | C29 | C28 | 119.7° | 120.0° |
| C29 | C24 | C25 | 119.7° | 119.9° |
| C24 | C29 | H31 | 120.1° | 120.0° |
| C29 | C28 | C27 | 120.5° | 120.0° |
| C29 | C28 | H30 | 119.8° | 120.0° |
| C28 | C29 | H31 | 120.2° | 120.0° |
| C8 | C7 | C6 | 130.6° | 128.4° |
| C8 | C7 | H7 | 114.7° | 115.7° |
| C13 | N1 | C15 | 104.9° | 109.6° |
| N1 | C13 | C14 | 129.3° | 133.6° |
| N1 | C13 | C12 | 110.4° | 106.9° |
| N1 | C15 | C22 | 123.6° | 125.0° |
| N1 | C15 | N2 | 112.5° | 110.1° |
| C24 | C25 | C26 | 120.3° | 120.0° |
| C24 | C25 | H27 | 119.9° | 120.0° |
| C3 | C4 | C9 | 114.6° | 115.5° |
| C3 | C4 | C5 | 127.9° | 129.0° |
| C4 | C3 | H4 | 115.4° | 115.8° |
| C22 | C15 | N2 | 123.8° | 124.9° |
| C15 | C22 | H23 | 109.1° | 109.5° |
| C15 | C22 | H24 | 109.1° | 109.4° |
| C28 | C27 | C26 | 119.8° | 120.0° |
| C28 | C27 | H29 | 120.1° | 120.0° |
| C27 | C28 | H30 | 119.7° | 120.0° |
| C13 | C14 | C9 | 117.6° | 119.6° |
| C14 | C13 | C12 | 120.2° | 119.5° |
| C13 | C14 | H10 | 121.2° | 120.2° |
| C14 | C9 | C4 | 120.2° | 119.9° |
| C14 | C9 | C10 | 121.4° | 120.2° |
| C9 | C14 | H10 | 121.2° | 120.2° |
| C13 | C12 | N2 | 105.8° | 106.0° |
| C13 | C12 | C11 | 122.0° | 120.2° |
| C15 | N2 | C12 | 106.4° | 107.3° |
| C15 | N2 | C16 | 129.0° | 126.3° |
| C25 | C26 | C27 | 120.0° | 120.0° |
| C25 | C26 | H28 | 120.0° | 119.9° |
| C26 | C25 | H27 | 119.8° | 120.0° |
| C7 | C6 | C5 | 130.3° | 129.1° |
| C6 | C7 | H7 | 114.7° | 115.8° |
| C7 | C6 | H6 | 114.8° | 115.5° |
| C9 | C4 | C5 | 117.5° | 115.5° |
| C4 | C9 | C10 | 118.4° | 119.9° |
| C4 | C5 | C6 | 128.8° | 129.4° |
| C4 | C5 | H5 | 115.6° | 115.3° |
| C27 | C26 | H28 | 120.0° | 120.0° |
| C26 | C27 | H29 | 120.1° | 120.0° |
| C9 | C10 | C11 | 122.0° | 120.5° |
| C9 | C10 | H8 | 119.0° | 119.8° |
| C5 | C6 | H6 | 114.9° | 115.4° |
| C6 | C5 | H5 | 115.6° | 115.3° |
| C12 | N2 | C16 | 124.6° | 126.3° |
| N2 | C12 | C11 | 132.1° | 133.9° |
| N2 | C16 | C17 | 110.4° | 109.5° |
| N2 | C16 | H12 | 109.2° | 109.5° |
| N2 | C16 | H11 | 109.2° | 109.4° |
| C12 | C11 | C10 | 116.7° | 120.1° |
| C12 | C11 | H9 | 121.6° | 119.9° |
| C11 | C10 | H8 | 119.0° | 119.7° |
| C10 | C11 | H9 | 121.6° | 120.0° |
| C16 | C17 | N3 | 107.1° | 109.4° |
| C17 | C16 | H12 | 109.2° | 109.5° |
| C17 | C16 | H11 | 109.2° | 109.5° |
| C16 | C17 | H13 | 110.1° | 109.4° |
| C16 | C17 | H14 | 110.1° | 109.5° |
| C17 | N3 | C21 | 112.5° | 111.0° |
| C17 | N3 | C18 | 112.3° | 111.0° |
| N3 | C17 | H13 | 110.1° | 109.5° |
| N3 | C17 | H14 | 110.1° | 109.4° |
| C21 | N3 | C18 | 108.9° | 110.8° |
| N3 | C21 | C20 | 113.5° | 109.3° |
| N3 | C21 | H21 | 108.5° | 109.4° |
| N3 | C21 | H22 | 108.5° | 109.5° |
| N3 | C18 | C19 | 112.3° | 109.2° |
| N3 | C18 | H16 | 108.8° | 109.5° |
| N3 | C18 | H15 | 108.8° | 109.5° |
| C21 | C20 | O3 | 110.8° | 109.3° |
| C21 | C20 | H19 | 109.1° | 109.5° |
| C21 | C20 | H20 | 109.1° | 109.5° |
| C20 | C21 | H21 | 108.4° | 109.5° |
| C20 | C21 | H22 | 108.5° | 109.5° |
| C20 | O3 | C19 | 113.2° | 113.7° |
| O3 | C20 | H19 | 109.1° | 109.5° |
| O3 | C20 | H20 | 109.2° | 109.5° |
| C18 | C19 | O3 | 110.3° | 109.2° |
| C19 | C18 | H16 | 108.7° | 109.5° |
| C19 | C18 | H15 | 108.8° | 109.6° |
| C18 | C19 | H17 | 109.2° | 109.6° |
| C18 | C19 | H18 | 109.2° | 109.5° |
| O3 | C19 | H17 | 109.2° | 109.5° |
| O3 | C19 | H18 | 109.3° | 109.4° |
| H19 | C20 | H20 | 109.5° | 109.5° |
| H21 | C21 | H22 | 109.5° | 109.5° |
| H16 | C18 | H15 | 109.5° | 109.5° |
| H12 | C16 | H11 | 109.5° | 109.4° |
| H17 | C19 | H18 | 109.5° | 109.6° |
| H2 | C1 | H1 | 109.4° | 109.4° |
| H2 | C1 | H3 | 109.5° | 109.4° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H13 | C17 | H14 | 109.5° | 109.5° |
| H23 | C22 | H24 | 109.5° | 109.5° |
| H25 | C23 | H26 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | O1 | C2 | C8 | 176.0° | 180.0° |
| C1 | O1 | C2 | C3 | 3.2° | 0.1° |
| O1 | C1 | H2 | H1 | 120.0° | 120.0° |
| O1 | C1 | H2 | H3 | 120.0° | 120.0° |
| O1 | C1 | H1 | H3 | 120.0° | 120.1° |
| O1 | C2 | C8 | O2 | 3.0° | 0.1° |
| O1 | C2 | C8 | C3 | 179.1° | 179.9° |
| O1 | C2 | C8 | C7 | 175.4° | 179.8° |
| O1 | C2 | C3 | C4 | 177.0° | 180.0° |
| C2 | O1 | C1 | H2 | 180.0° | 180.0° |
| C2 | O1 | C1 | H1 | 60.0° | 60.1° |
| C2 | O1 | C1 | H3 | 60.0° | 60.0° |
| O1 | C2 | C3 | H4 | 3.0° | 0.0° |
| O2 | C8 | C2 | C7 | 178.4° | 179.9° |
| O2 | C8 | C2 | C3 | 177.9° | 179.8° |
| O2 | C8 | C7 | C6 | 179.4° | 180.0° |
| O2 | C8 | C7 | H7 | 0.6° | 0.1° |
| C24 | C23 | C22 | H25 | 120.1° | 120.0° |
| C24 | C23 | C22 | H26 | 120.1° | 120.0° |
| C23 | C24 | C29 | C25 | 179.7° | 180.0° |
| C23 | C24 | C29 | C28 | 179.9° | 179.8° |
| C24 | C23 | C22 | C15 | 65.1° | 180.0° |
| C23 | C24 | C25 | C26 | 179.2° | 180.0° |
| C24 | C23 | C22 | H23 | 55.1° | 60.0° |
| C24 | C23 | C22 | H24 | 174.6° | 60.0° |
| C24 | C23 | H25 | H26 | 119.8° | 120.0° |
| C23 | C24 | C25 | H27 | 0.8° | 0.1° |
| C23 | C24 | C29 | H31 | 0.1° | 0.0° |
| C22 | C23 | C24 | C29 | 106.6° | 90.0° |
| C23 | C22 | C15 | N1 | 49.6° | 89.9° |
| C22 | C23 | C24 | C25 | 73.1° | 90.0° |
| C23 | C22 | C15 | H23 | 120.2° | 120.0° |
| C23 | C22 | C15 | H24 | 120.2° | 120.0° |
| C23 | C22 | C15 | N2 | 133.5° | 89.7° |
| C23 | C22 | H23 | H24 | 119.4° | 120.1° |
| C22 | C23 | H25 | H26 | 119.8° | 120.0° |
| C8 | C2 | C3 | C4 | 2.0° | 0.1° |
| C2 | C8 | C7 | C6 | 1.1° | 0.1° |
| C2 | C8 | C7 | H7 | 178.9° | 179.7° |
| C8 | C2 | C3 | H4 | 178.0° | 179.9° |
| C3 | C2 | C8 | C7 | 3.7° | 0.3° |
| C2 | C3 | C4 | H4 | 180.0° | 180.0° |
| C2 | C3 | C4 | C9 | 179.7° | 180.0° |
| C2 | C3 | C4 | C5 | 1.0° | 0.3° |
| C24 | C29 | C28 | H31 | 180.0° | 179.7° |
| C24 | C29 | C28 | C27 | 0.9° | 0.3° |
| C29 | C24 | C25 | C26 | 0.6° | 0.0° |
| C29 | C24 | C23 | H25 | 133.3° | 150.0° |
| C29 | C24 | C23 | H26 | 13.4° | 30.0° |
| C29 | C24 | C25 | H27 | 179.4° | 180.0° |
| C24 | C29 | C28 | H30 | 179.1° | 179.7° |
| C28 | C29 | C24 | C25 | 0.2° | 0.3° |
| C29 | C28 | C27 | H30 | 180.0° | 180.0° |
| C29 | C28 | C27 | C26 | 0.7° | 0.0° |
| C29 | C28 | C27 | H29 | 179.3° | 180.0° |
| C8 | C7 | C6 | H7 | 180.0° | 179.9° |
| C8 | C7 | C6 | C5 | 2.8° | 0.1° |
| C8 | C7 | C6 | H6 | 177.2° | 179.9° |
| C13 | N1 | C15 | C22 | 176.6° | 180.0° |
| N1 | C13 | C14 | C12 | 178.8° | 179.5° |
| N1 | C13 | C14 | C9 | 177.2° | 179.5° |
| C13 | N1 | C15 | N2 | 0.6° | 0.3° |
| N1 | C13 | C12 | N2 | 0.1° | 0.3° |
| N1 | C13 | C12 | C11 | 177.7° | 179.6° |
| N1 | C13 | C14 | H10 | 2.8° | 0.5° |
| N1 | C15 | C22 | N2 | 176.9° | 179.6° |
| C15 | N1 | C13 | C14 | 178.4° | 180.0° |
| C15 | N1 | C13 | C12 | 0.4° | 0.4° |
| N1 | C15 | N2 | C12 | 0.5° | 0.1° |
| N1 | C15 | N2 | C16 | 179.7° | 179.8° |
| N1 | C15 | C22 | H23 | 169.8° | 150.1° |
| N1 | C15 | C22 | H24 | 70.6° | 30.1° |
| C24 | C25 | C26 | H27 | 180.0° | 179.9° |
| C24 | C25 | C26 | C27 | 0.7° | 0.2° |
| C24 | C25 | C26 | H28 | 179.3° | 180.0° |
| C25 | C24 | C23 | H25 | 47.0° | 30.0° |
| C25 | C24 | C23 | H26 | 166.8° | 150.0° |
| C25 | C24 | C29 | H31 | 179.8° | 180.0° |
| C3 | C4 | C9 | C14 | 47.0° | 115.2° |
| C3 | C4 | C9 | C5 | 178.8° | 179.8° |
| C3 | C4 | C9 | C10 | 133.5° | 64.7° |
| C3 | C4 | C5 | C6 | 0.2° | 0.3° |
| C3 | C4 | C5 | H5 | 179.8° | 179.7° |
| C22 | C15 | N2 | C12 | 176.6° | 179.7° |
| C22 | C15 | N2 | C16 | 2.6° | 0.1° |
| C15 | C22 | H23 | H24 | 119.4° | 119.9° |
| C15 | C22 | C23 | H25 | 174.8° | 60.0° |
| C15 | C22 | C23 | H26 | 54.9° | 60.0° |
| C28 | C27 | C26 | C25 | 0.1° | 0.2° |
| C28 | C27 | C26 | H29 | 180.0° | 180.0° |
| C28 | C27 | C26 | H28 | 180.0° | 180.0° |
| C27 | C28 | C29 | H31 | 179.1° | 180.0° |
| C13 | C14 | C9 | H10 | 180.0° | 180.0° |
| C13 | C14 | C9 | C4 | 179.9° | 180.0° |
| C13 | C14 | C9 | C10 | 0.4° | 0.1° |
| C14 | C13 | C12 | N2 | 178.9° | 180.0° |
| C14 | C13 | C12 | C11 | 1.3° | 0.0° |
| C9 | C14 | C13 | C12 | 1.6° | 0.0° |
| C14 | C9 | C4 | C10 | 179.5° | 179.9° |
| C14 | C9 | C4 | C5 | 134.2° | 65.1° |
| C14 | C9 | C10 | C11 | 1.1° | 0.1° |
| C14 | C9 | C10 | H8 | 178.9° | 180.0° |
| C13 | C12 | N2 | C15 | 0.2° | 0.2° |
| C13 | C12 | N2 | C11 | 177.2° | 180.0° |
| C13 | C12 | N2 | C16 | 179.5° | 180.0° |
| C13 | C12 | C11 | C10 | 0.2° | 0.0° |
| C13 | C12 | C11 | H9 | 179.8° | 180.0° |
| C12 | C13 | C14 | H10 | 178.4° | 179.9° |
| C15 | N2 | C12 | C16 | 179.2° | 179.8° |
| C15 | N2 | C12 | C11 | 177.0° | 179.8° |
| C15 | N2 | C16 | C17 | 90.5° | 90.2° |
| C15 | N2 | C16 | H12 | 29.6° | 29.8° |
| C15 | N2 | C16 | H11 | 149.3° | 149.7° |
| N2 | C15 | C22 | H23 | 13.3° | 30.3° |
| N2 | C15 | C22 | H24 | 106.3° | 150.3° |
| C25 | C26 | C27 | H28 | 180.0° | 179.7° |
| C25 | C26 | C27 | H29 | 179.9° | 179.8° |
| C7 | C6 | C5 | C4 | 3.0° | 0.0° |
| C7 | C6 | C5 | H6 | 180.0° | 180.0° |
| C7 | C6 | C5 | H5 | 177.0° | 180.0° |
| C9 | C4 | C5 | C6 | 178.8° | 180.0° |
| C4 | C9 | C10 | C11 | 178.4° | 180.0° |
| C9 | C4 | C3 | H4 | 0.3° | 0.0° |
| C9 | C4 | C5 | H5 | 1.2° | 0.0° |
| C4 | C9 | C10 | H8 | 1.6° | 0.0° |
| C4 | C9 | C14 | H10 | 0.1° | 0.0° |
| C5 | C4 | C9 | C10 | 45.3° | 115.0° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | H6 | 177.0° | 180.0° |
| C5 | C4 | C3 | H4 | 179.0° | 179.7° |
| C27 | C26 | C25 | H27 | 179.3° | 179.7° |
| C26 | C27 | C28 | H30 | 179.3° | 180.0° |
| C9 | C10 | C11 | C12 | 1.4° | 0.0° |
| C9 | C10 | C11 | H8 | 180.0° | 180.0° |
| C9 | C10 | C11 | H9 | 178.6° | 179.9° |
| C10 | C9 | C14 | H10 | 179.6° | 179.9° |
| C5 | C6 | C7 | H7 | 177.2° | 180.0° |
| N2 | C12 | C11 | C10 | 176.6° | 180.0° |
| C12 | N2 | C16 | C17 | 90.4° | 90.0° |
| C12 | N2 | C16 | H12 | 149.4° | 150.0° |
| C12 | N2 | C16 | H11 | 29.7° | 30.1° |
| N2 | C12 | C11 | H9 | 3.4° | 0.0° |
| C16 | N2 | C12 | C11 | 2.2° | 0.0° |
| N2 | C16 | C17 | H12 | 120.1° | 120.0° |
| N2 | C16 | C17 | H11 | 120.2° | 120.0° |
| N2 | C16 | C17 | N3 | 152.9° | 180.0° |
| N2 | C16 | H12 | H11 | 119.6° | 119.9° |
| N2 | C16 | C17 | H13 | 33.3° | 60.0° |
| N2 | C16 | C17 | H14 | 87.5° | 60.0° |
| C12 | C11 | C10 | H9 | 180.0° | 180.0° |
| C12 | C11 | C10 | H8 | 178.6° | 180.0° |
| C16 | C17 | N3 | H13 | 119.6° | 120.0° |
| C16 | C17 | N3 | H14 | 119.6° | 120.0° |
| C16 | C17 | N3 | C21 | 79.5° | 170.0° |
| C16 | C17 | N3 | C18 | 157.3° | 66.4° |
| C17 | C16 | H12 | H11 | 119.6° | 120.1° |
| C16 | C17 | H13 | H14 | 121.1° | 120.0° |
| C17 | N3 | C21 | C18 | 125.1° | 123.8° |
| C17 | N3 | C21 | C20 | 75.4° | 177.6° |
| C17 | N3 | C18 | C19 | 74.1° | 177.6° |
| C17 | N3 | C21 | H21 | 45.1° | 62.5° |
| C17 | N3 | C21 | H22 | 164.0° | 57.6° |
| C17 | N3 | C18 | H16 | 165.5° | 57.7° |
| C17 | N3 | C18 | H15 | 46.4° | 62.4° |
| N3 | C17 | C16 | H12 | 87.0° | 60.0° |
| N3 | C17 | C16 | H11 | 32.7° | 60.0° |
| N3 | C17 | H13 | H14 | 121.1° | 120.0° |
| N3 | C21 | C20 | H21 | 120.6° | 119.9° |
| N3 | C21 | C20 | H22 | 120.6° | 120.0° |
| N3 | C21 | C20 | O3 | 52.9° | 56.8° |
| C21 | N3 | C18 | C19 | 51.2° | 58.6° |
| N3 | C21 | C20 | H19 | 67.3° | 176.8° |
| N3 | C21 | C20 | H20 | 173.1° | 63.1° |
| N3 | C21 | H21 | H22 | 118.2° | 120.1° |
| C21 | N3 | C18 | H16 | 69.2° | 178.5° |
| C21 | N3 | C18 | H15 | 171.6° | 61.4° |
| C21 | N3 | C17 | H13 | 160.9° | 50.0° |
| C21 | N3 | C17 | H14 | 40.1° | 70.0° |
| C18 | N3 | C21 | C20 | 49.7° | 58.6° |
| N3 | C18 | C19 | H16 | 120.4° | 119.9° |
| N3 | C18 | C19 | H15 | 120.4° | 119.9° |
| N3 | C18 | C19 | O3 | 56.4° | 56.9° |
| C18 | N3 | C21 | H21 | 170.2° | 61.4° |
| C18 | N3 | C21 | H22 | 70.9° | 178.6° |
| N3 | C18 | H16 | H15 | 118.7° | 120.1° |
| N3 | C18 | C19 | H17 | 176.5° | 63.1° |
| N3 | C18 | C19 | H18 | 63.7° | 176.7° |
| C18 | N3 | C17 | H13 | 37.6° | 173.7° |
| C18 | N3 | C17 | H14 | 83.1° | 53.6° |
| C21 | C20 | O3 | H19 | 120.2° | 120.0° |
| C21 | C20 | O3 | H20 | 120.2° | 119.9° |
| C21 | C20 | O3 | C19 | 57.6° | 58.7° |
| C21 | C20 | H19 | H20 | 119.4° | 120.1° |
| C20 | C21 | H21 | H22 | 118.2° | 120.2° |
| C20 | O3 | C19 | C18 | 59.5° | 58.7° |
| O3 | C20 | H19 | H20 | 119.4° | 120.1° |
| O3 | C20 | C21 | H21 | 173.5° | 63.1° |
| O3 | C20 | C21 | H22 | 67.7° | 176.8° |
| C20 | O3 | C19 | H17 | 179.6° | 61.3° |
| C20 | O3 | C19 | H18 | 60.6° | 178.6° |
| C18 | C19 | O3 | H17 | 120.1° | 120.0° |
| C18 | C19 | O3 | H18 | 120.1° | 119.9° |
| C19 | C18 | H16 | H15 | 118.7° | 120.2° |
| C18 | C19 | H17 | H18 | 119.6° | 120.2° |
| C19 | O3 | C20 | H19 | 62.6° | 178.6° |
| C19 | O3 | C20 | H20 | 177.8° | 61.2° |
| O3 | C19 | C18 | H16 | 64.0° | 176.8° |
| O3 | C19 | C18 | H15 | 176.8° | 63.0° |
| O3 | C19 | H17 | H18 | 119.6° | 120.1° |
| H7 | C7 | C6 | H6 | 2.8° | 0.0° |
| H6 | C6 | C5 | H5 | 3.0° | 0.0° |
| H19 | C20 | C21 | H21 | 53.3° | 56.9° |
| H19 | C20 | C21 | H22 | 172.1° | 63.3° |
| H20 | C20 | C21 | H21 | 66.3° | 177.0° |
| H20 | C20 | C21 | H22 | 52.5° | 56.9° |
| H16 | C18 | C19 | H17 | 56.1° | 56.8° |
| H16 | C18 | C19 | H18 | 175.8° | 63.4° |
| H15 | C18 | C19 | H17 | 63.0° | 177.0° |
| H15 | C18 | C19 | H18 | 56.7° | 56.8° |
| H12 | C16 | C17 | H13 | 153.4° | 60.0° |
| H12 | C16 | C17 | H14 | 32.6° | 180.0° |
| H11 | C16 | C17 | H13 | 86.9° | 180.0° |
| H11 | C16 | C17 | H14 | 152.4° | 59.9° |
| H28 | C26 | C25 | H27 | 0.7° | 0.0° |
| H28 | C26 | C27 | H29 | 0.0° | 0.0° |
| H2 | C1 | H1 | H3 | 119.9° | 120.0° |
| H8 | C10 | C11 | H9 | 1.4° | 0.0° |
| H23 | C22 | C23 | H25 | 65.0° | 180.0° |
| H23 | C22 | C23 | H26 | 175.2° | 60.0° |
| H24 | C22 | C23 | H25 | 54.6° | 59.9° |
| H24 | C22 | C23 | H26 | 65.3° | 180.0° |
| H29 | C27 | C28 | H30 | 0.7° | 0.0° |
| H30 | C28 | C29 | H31 | 0.9° | 0.0° |
