6JQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C28 | C21 | sing | 1.39Å | 1.40Å | Aromatic |
| C28 | C29 | doub | 1.37Å | 1.35Å | Aromatic |
| C21 | N2 | doub | 1.31Å | 1.31Å | Aromatic |
| C29 | C30 | sing | 1.41Å | 1.41Å | Aromatic |
| N2 | C20 | sing | 1.34Å | 1.37Å | Aromatic |
| C30 | C20 | sing | 1.42Å | 1.41Å | Aromatic |
| C30 | C31 | doub | 1.40Å | 1.41Å | Aromatic |
| C20 | C19 | doub | 1.41Å | 1.41Å | Aromatic |
| C31 | C17 | sing | 1.39Å | 1.37Å | Aromatic |
| C19 | C18 | sing | 1.36Å | 1.36Å | Aromatic |
| C | C1 | sing | 1.51Å | 1.51Å | |
| C17 | C18 | doub | 1.41Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.48Å | 1.49Å | |
| N1 | C16 | sing | 1.35Å | 1.35Å | |
| N1 | C15 | sing | 1.40Å | 1.42Å | |
| C1 | C15 | doub | 1.39Å | 1.40Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | O3 | doub | 1.22Å | 1.22Å | |
| C15 | C14 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.38Å | Aromatic |
| C4 | N | sing | 1.40Å | 1.41Å | |
| N | C5 | sing | 1.35Å | 1.35Å | |
| C5 | O | doub | 1.22Å | 1.23Å | |
| C5 | C6 | sing | 1.48Å | 1.49Å | |
| C7 | C6 | doub | 1.40Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | C13 | sing | 1.40Å | 1.39Å | Aromatic |
| C8 | C9 | doub | 1.39Å | 1.38Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | C12 | sing | 1.39Å | 1.41Å | Aromatic |
| C9 | O1 | sing | 1.36Å | 1.38Å | |
| C12 | O2 | sing | 1.36Å | 1.38Å | |
| O1 | C10 | sing | 1.43Å | 1.45Å | |
| O2 | C11 | sing | 1.43Å | 1.45Å | |
| C10 | C11 | sing | 1.53Å | 1.58Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C18 | H2 | sing | 1.08Å | 1.08Å | |
| C29 | H4 | sing | 1.08Å | 1.08Å | |
| C31 | H5 | sing | 1.08Å | 1.08Å | |
| N1 | H6 | sing | 0.97Å | 1.00Å | |
| C14 | H7 | sing | 1.08Å | 1.08Å | |
| N | H8 | sing | 0.97Å | 1.00Å | |
| C13 | H9 | sing | 1.08Å | 1.08Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | H14 | sing | 1.08Å | 1.08Å | |
| C7 | H15 | sing | 1.08Å | 1.08Å | |
| C3 | H16 | sing | 1.08Å | 1.08Å | |
| C | H17 | sing | 1.09Å | 1.10Å | |
| C | H18 | sing | 1.09Å | 1.10Å | |
| C | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H20 | sing | 1.08Å | 1.08Å | |
| C28 | H21 | sing | 1.08Å | 1.08Å | |
| C21 | C22 | sing | 1.51Å | 107.53Å | |
| C22 | C23 | sing | 1.53Å | 0.00Å | |
| C23 | C24 | sing | 1.53Å | 0.00Å | |
| C24 | N3 | sing | 1.47Å | 0.00Å | |
| N3 | C26 | sing | 1.47Å | 0.00Å | |
| C26 | C27 | sing | 1.54Å | 0.00Å | |
| C27 | C32 | sing | 1.55Å | 0.00Å | |
| C32 | C33 | sing | 1.55Å | 0.00Å | |
| C33 | N3 | sing | 1.48Å | 0.00Å | |
| C22 | H3 | sing | 1.09Å | 0.00Å | |
| C22 | H22 | sing | 1.09Å | 0.00Å | |
| C23 | H23 | sing | 1.09Å | 0.00Å | |
| C23 | H24 | sing | 1.09Å | 0.00Å | |
| C24 | H25 | sing | 1.09Å | 0.00Å | |
| C24 | H26 | sing | 1.09Å | 0.00Å | |
| C26 | H27 | sing | 1.09Å | 0.00Å | |
| C26 | H28 | sing | 1.09Å | 0.00Å | |
| C27 | H29 | sing | 1.09Å | 0.00Å | |
| C27 | H30 | sing | 1.09Å | 0.00Å | |
| C32 | H31 | sing | 1.09Å | 0.00Å | |
| C32 | H32 | sing | 1.09Å | 0.00Å | |
| C33 | H33 | sing | 1.09Å | 0.00Å | |
| C33 | H34 | sing | 1.09Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C21 | C28 | C29 | 117.7° | 119.9° |
| C28 | C21 | N2 | 125.9° | 121.8° |
| C21 | C28 | H21 | 121.2° | 120.0° |
| C28 | C21 | C22 | 32.3° | 119.1° |
| C28 | C29 | C30 | 120.0° | 118.1° |
| C28 | C29 | H4 | 120.0° | 120.9° |
| C29 | C28 | H21 | 121.2° | 120.1° |
| C21 | N2 | C20 | 116.3° | 121.3° |
| N2 | C21 | C22 | 97.2° | 119.1° |
| C29 | C30 | C20 | 117.8° | 119.0° |
| C29 | C30 | C31 | 123.6° | 121.2° |
| C30 | C29 | H4 | 120.0° | 121.0° |
| N2 | C20 | C30 | 122.3° | 119.8° |
| N2 | C20 | C19 | 118.8° | 120.8° |
| C20 | C30 | C31 | 118.6° | 119.7° |
| C30 | C20 | C19 | 118.8° | 119.4° |
| C30 | C31 | C17 | 121.3° | 119.4° |
| C30 | C31 | H5 | 119.4° | 120.3° |
| C20 | C19 | C18 | 120.9° | 120.1° |
| C20 | C19 | H20 | 119.5° | 119.9° |
| C31 | C17 | C18 | 119.5° | 120.4° |
| C31 | C17 | C16 | 121.4° | 119.8° |
| C17 | C31 | H5 | 119.3° | 120.3° |
| C19 | C18 | C17 | 120.9° | 120.9° |
| C19 | C18 | H2 | 119.6° | 119.6° |
| C18 | C19 | H20 | 119.6° | 120.0° |
| C | C1 | C15 | 121.7° | 120.0° |
| C | C1 | C2 | 120.7° | 120.0° |
| C1 | C | H17 | 109.5° | 109.5° |
| C1 | C | H18 | 109.5° | 109.5° |
| C1 | C | H19 | 109.5° | 109.5° |
| C18 | C17 | C16 | 119.1° | 119.8° |
| C17 | C18 | H2 | 119.6° | 119.5° |
| C17 | C16 | N1 | 115.9° | 120.0° |
| C17 | C16 | O3 | 120.9° | 120.1° |
| C16 | N1 | C15 | 126.2° | 120.0° |
| N1 | C16 | O3 | 123.2° | 119.9° |
| C16 | N1 | H6 | 116.9° | 120.0° |
| N1 | C15 | C1 | 118.5° | 120.0° |
| N1 | C15 | C14 | 120.7° | 120.0° |
| C15 | N1 | H6 | 116.9° | 120.0° |
| C15 | C1 | C2 | 117.6° | 120.1° |
| C1 | C15 | C14 | 120.8° | 120.0° |
| C1 | C2 | C3 | 121.9° | 120.1° |
| C1 | C2 | H1 | 119.0° | 119.9° |
| C15 | C14 | C4 | 120.1° | 119.9° |
| C15 | C14 | H7 | 119.9° | 120.1° |
| C2 | C3 | C4 | 120.1° | 120.1° |
| C3 | C2 | H1 | 119.0° | 119.9° |
| C2 | C3 | H16 | 120.0° | 120.0° |
| C14 | C4 | C3 | 119.4° | 119.9° |
| C14 | C4 | N | 119.8° | 120.1° |
| C4 | C14 | H7 | 119.9° | 120.1° |
| C3 | C4 | N | 120.8° | 120.0° |
| C4 | C3 | H16 | 120.0° | 119.9° |
| C4 | N | C5 | 126.1° | 120.0° |
| C4 | N | H8 | 117.0° | 120.0° |
| N | C5 | O | 123.0° | 120.0° |
| N | C5 | C6 | 116.2° | 120.0° |
| C5 | N | H8 | 117.0° | 119.9° |
| O | C5 | C6 | 120.8° | 120.0° |
| C5 | C6 | C7 | 122.4° | 120.1° |
| C5 | C6 | C13 | 117.8° | 120.1° |
| C6 | C7 | C8 | 120.9° | 120.0° |
| C7 | C6 | C13 | 119.7° | 119.8° |
| C6 | C7 | H15 | 119.6° | 120.0° |
| C7 | C8 | C9 | 119.5° | 120.2° |
| C7 | C8 | H14 | 120.3° | 119.9° |
| C8 | C7 | H15 | 119.5° | 120.0° |
| C6 | C13 | C12 | 120.0° | 120.0° |
| C6 | C13 | H9 | 120.0° | 120.0° |
| C8 | C9 | C12 | 120.0° | 120.1° |
| C8 | C9 | O1 | 117.7° | 119.2° |
| C9 | C8 | H14 | 120.2° | 119.9° |
| C13 | C12 | C9 | 120.0° | 119.9° |
| C13 | C12 | O2 | 117.7° | 119.3° |
| C12 | C13 | H9 | 120.0° | 120.1° |
| C12 | C9 | O1 | 122.3° | 120.7° |
| C9 | C12 | O2 | 122.4° | 120.8° |
| C9 | O1 | C10 | 117.6° | 116.8° |
| C12 | O2 | C11 | 116.8° | 116.7° |
| O1 | C10 | C11 | 113.1° | 108.2° |
| O1 | C10 | H12 | 108.5° | 109.7° |
| O1 | C10 | H13 | 108.6° | 109.8° |
| O2 | C11 | C10 | 111.9° | 108.2° |
| O2 | C11 | H10 | 108.9° | 109.7° |
| O2 | C11 | H11 | 108.9° | 109.7° |
| C10 | C11 | H10 | 108.9° | 109.7° |
| C10 | C11 | H11 | 108.8° | 109.8° |
| C11 | C10 | H12 | 108.6° | 109.7° |
| C11 | C10 | H13 | 108.6° | 109.7° |
| H10 | C11 | H11 | 109.5° | 109.7° |
| H12 | C10 | H13 | 109.5° | 109.7° |
| H17 | C | H18 | 109.5° | 109.5° |
| H17 | C | H19 | 109.4° | 109.5° |
| H18 | C | H19 | 109.5° | 109.4° |
| C21 | C22 | C23 | 90.0° | 109.5° |
| C21 | C22 | H3 | 90.0° | 109.4° |
| C21 | C22 | H22 | 90.0° | 109.5° |
| C22 | C23 | C24 | 90.0° | 109.5° |
| C23 | C22 | H3 | 90.0° | 109.5° |
| C23 | C22 | H22 | 90.0° | 109.5° |
| C22 | C23 | H23 | 90.0° | 109.5° |
| C22 | C23 | H24 | 90.0° | 109.5° |
| C23 | C24 | N3 | 90.0° | 109.5° |
| C24 | C23 | H23 | 90.0° | 109.4° |
| C24 | C23 | H24 | 90.0° | 109.5° |
| C23 | C24 | H25 | 90.0° | 109.4° |
| C23 | C24 | H26 | 90.0° | 109.5° |
| C24 | N3 | C26 | 90.0° | 111.0° |
| C24 | N3 | C33 | 90.0° | 111.0° |
| N3 | C24 | H25 | 90.0° | 109.5° |
| N3 | C24 | H26 | 90.0° | 109.5° |
| N3 | C26 | C27 | 90.0° | 107.3° |
| C26 | N3 | C33 | 90.0° | 108.6° |
| N3 | C26 | H27 | 90.0° | 109.9° |
| N3 | C26 | H28 | 90.0° | 109.9° |
| C26 | C27 | C32 | 90.0° | 103.0° |
| C27 | C26 | H27 | 90.0° | 109.8° |
| C27 | C26 | H28 | 90.0° | 109.9° |
| C26 | C27 | H29 | 90.0° | 110.8° |
| C26 | C27 | H30 | 90.0° | 110.7° |
| C27 | C32 | C33 | 90.0° | 101.7° |
| C32 | C27 | H29 | 90.0° | 110.7° |
| C32 | C27 | H30 | 90.0° | 110.7° |
| C27 | C32 | H31 | 90.0° | 111.0° |
| C27 | C32 | H32 | 90.0° | 111.0° |
| C32 | C33 | N3 | 90.0° | 104.8° |
| C33 | C32 | H31 | 90.0° | 111.0° |
| C33 | C32 | H32 | 90.0° | 111.0° |
| C32 | C33 | H33 | 90.0° | 110.4° |
| C32 | C33 | H34 | 90.0° | 110.3° |
| N3 | C33 | H33 | 90.0° | 110.4° |
| N3 | C33 | H34 | 90.0° | 110.4° |
| H3 | C22 | H22 | 90.0° | 109.4° |
| H23 | C23 | H24 | 90.0° | 109.4° |
| H25 | C24 | H26 | 90.0° | 109.4° |
| H27 | C26 | H28 | 90.0° | 110.0° |
| H29 | C27 | H30 | 90.0° | 110.8° |
| H31 | C32 | H32 | 90.0° | 110.9° |
| H33 | C33 | H34 | 90.0° | 110.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C21 | C28 | C29 | H21 | 180.0° | 179.8° |
| C28 | C21 | N2 | C22 | 16.2° | 179.9° |
| C21 | C28 | C29 | C30 | 0.3° | 0.5° |
| C28 | C21 | N2 | C20 | 0.2° | 0.0° |
| C21 | C28 | C29 | H4 | 179.7° | 180.0° |
| C28 | C21 | C22 | C23 | 90.0° | 125.0° |
| C28 | C21 | C22 | H3 | 90.0° | 115.0° |
| C28 | C21 | C22 | H22 | 90.0° | 4.9° |
| C29 | C28 | C21 | N2 | 0.1° | 0.2° |
| C28 | C29 | C30 | H4 | 180.0° | 179.5° |
| C28 | C29 | C30 | C20 | 0.2° | 0.5° |
| C28 | C29 | C30 | C31 | 178.1° | 179.8° |
| C29 | C28 | C21 | C22 | 31.4° | 179.7° |
| C21 | N2 | C20 | C30 | 0.3° | 0.0° |
| C21 | N2 | C20 | C19 | 178.4° | 179.7° |
| N2 | C21 | C28 | H21 | 179.9° | 180.0° |
| N2 | C21 | C22 | C23 | 90.0° | 54.9° |
| N2 | C21 | C22 | H3 | 90.0° | 65.1° |
| N2 | C21 | C22 | H22 | 90.0° | 175.0° |
| C29 | C30 | C20 | N2 | 0.1° | 0.3° |
| C29 | C30 | C20 | C31 | 178.4° | 179.7° |
| C29 | C30 | C20 | C19 | 178.6° | 180.0° |
| C29 | C30 | C31 | C17 | 177.6° | 180.0° |
| C29 | C30 | C31 | H5 | 2.4° | 0.2° |
| C30 | C29 | C28 | H21 | 179.7° | 179.7° |
| N2 | C20 | C30 | C19 | 178.7° | 179.7° |
| N2 | C20 | C30 | C31 | 178.5° | 180.0° |
| N2 | C20 | C19 | C18 | 178.1° | 179.8° |
| N2 | C20 | C19 | H20 | 1.9° | 0.3° |
| C20 | N2 | C21 | C22 | 16.1° | 180.0° |
| C20 | C30 | C31 | C17 | 0.7° | 0.2° |
| C30 | C20 | C19 | C18 | 0.7° | 0.0° |
| C20 | C30 | C29 | H4 | 179.8° | 180.0° |
| C20 | C30 | C31 | H5 | 179.3° | 180.0° |
| C30 | C20 | C19 | H20 | 179.4° | 180.0° |
| C31 | C30 | C20 | C19 | 0.2° | 0.3° |
| C30 | C31 | C17 | H5 | 180.0° | 179.8° |
| C30 | C31 | C17 | C18 | 1.1° | 0.0° |
| C30 | C31 | C17 | C16 | 176.1° | 180.0° |
| C31 | C30 | C29 | H4 | 1.9° | 0.2° |
| C20 | C19 | C18 | H20 | 180.0° | 179.9° |
| C20 | C19 | C18 | C17 | 0.3° | 0.2° |
| C20 | C19 | C18 | H2 | 179.7° | 180.0° |
| C31 | C17 | C18 | C19 | 0.6° | 0.3° |
| C31 | C17 | C18 | C16 | 177.3° | 180.0° |
| C31 | C17 | C16 | N1 | 14.4° | 180.0° |
| C31 | C17 | C16 | O3 | 165.0° | 0.1° |
| C31 | C17 | C18 | H2 | 179.4° | 180.0° |
| C19 | C18 | C17 | H2 | 180.0° | 179.8° |
| C19 | C18 | C17 | C16 | 176.7° | 179.8° |
| C | C1 | C15 | N1 | 0.6° | 0.3° |
| C | C1 | C15 | C2 | 179.7° | 179.7° |
| C | C1 | C15 | C14 | 179.2° | 179.7° |
| C | C1 | C2 | C3 | 179.8° | 179.7° |
| C | C1 | C2 | H1 | 0.2° | 0.3° |
| C1 | C | H17 | H18 | 120.0° | 120.0° |
| C1 | C | H17 | H19 | 120.0° | 120.0° |
| C1 | C | H18 | H19 | 120.0° | 120.0° |
| C18 | C17 | C16 | N1 | 168.4° | 0.0° |
| C18 | C17 | C16 | O3 | 12.3° | 180.0° |
| C18 | C17 | C31 | H5 | 178.9° | 179.8° |
| C17 | C18 | C19 | H20 | 179.7° | 179.7° |
| C17 | C16 | N1 | O3 | 179.3° | 180.0° |
| C17 | C16 | N1 | C15 | 157.1° | 175.3° |
| C16 | C17 | C18 | H2 | 3.3° | 0.0° |
| C16 | C17 | C31 | H5 | 3.8° | 0.2° |
| C17 | C16 | N1 | H6 | 22.9° | 4.6° |
| C16 | N1 | C15 | H6 | 180.0° | 180.0° |
| C16 | N1 | C15 | C1 | 175.5° | 145.2° |
| C16 | N1 | C15 | C14 | 4.3° | 34.8° |
| N1 | C15 | C1 | C14 | 179.8° | 180.0° |
| N1 | C15 | C1 | C2 | 179.7° | 180.0° |
| C15 | N1 | C16 | O3 | 22.2° | 4.7° |
| N1 | C15 | C14 | C4 | 179.1° | 180.0° |
| N1 | C15 | C14 | H7 | 0.9° | 0.1° |
| C15 | C1 | C2 | C3 | 0.1° | 0.0° |
| C1 | C15 | C14 | C4 | 1.1° | 0.0° |
| C15 | C1 | C2 | H1 | 179.9° | 180.0° |
| C1 | C15 | N1 | H6 | 4.5° | 34.8° |
| C1 | C15 | C14 | H7 | 178.9° | 179.9° |
| C15 | C1 | C | H17 | 90.1° | 90.0° |
| C15 | C1 | C | H18 | 149.9° | 150.0° |
| C15 | C1 | C | H19 | 29.8° | 30.0° |
| C2 | C1 | C15 | C14 | 0.5° | 0.0° |
| C1 | C2 | C3 | H1 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.2° | 0.0° |
| C1 | C2 | C3 | H16 | 179.8° | 179.9° |
| C2 | C1 | C | H17 | 90.2° | 89.7° |
| C2 | C1 | C | H18 | 29.8° | 30.3° |
| C2 | C1 | C | H19 | 149.9° | 150.3° |
| O3 | C16 | N1 | H6 | 157.8° | 175.3° |
| C15 | C14 | C4 | H7 | 180.0° | 179.9° |
| C15 | C14 | C4 | C3 | 1.0° | 0.0° |
| C15 | C14 | C4 | N | 178.5° | 180.0° |
| C14 | C15 | N1 | H6 | 175.7° | 145.2° |
| C2 | C3 | C4 | C14 | 0.3° | 0.0° |
| C2 | C3 | C4 | H16 | 180.0° | 180.0° |
| C2 | C3 | C4 | N | 179.1° | 180.0° |
| C14 | C4 | C3 | N | 179.5° | 180.0° |
| C14 | C4 | N | C5 | 31.4° | 154.0° |
| C14 | C4 | N | H8 | 148.6° | 26.0° |
| C14 | C4 | C3 | H16 | 179.7° | 180.0° |
| C3 | C4 | N | C5 | 149.1° | 26.1° |
| C4 | C3 | C2 | H1 | 179.8° | 180.0° |
| C3 | C4 | C14 | H7 | 179.0° | 179.9° |
| C3 | C4 | N | H8 | 30.9° | 154.0° |
| C4 | N | C5 | H8 | 180.0° | 179.9° |
| C4 | N | C5 | O | 1.5° | 5.7° |
| C4 | N | C5 | C6 | 178.4° | 174.2° |
| N | C4 | C14 | H7 | 1.5° | 0.0° |
| N | C4 | C3 | H16 | 0.9° | 0.1° |
| N | C5 | O | C6 | 179.8° | 179.9° |
| N | C5 | C6 | C7 | 6.5° | 0.2° |
| N | C5 | C6 | C13 | 172.3° | 180.0° |
| O | C5 | C6 | C7 | 173.3° | 179.7° |
| O | C5 | C6 | C13 | 7.9° | 0.1° |
| O | C5 | N | H8 | 178.5° | 174.2° |
| C5 | C6 | C7 | C13 | 178.8° | 179.8° |
| C5 | C6 | C7 | C8 | 178.0° | 179.7° |
| C5 | C6 | C13 | C12 | 177.8° | 180.0° |
| C6 | C5 | N | H8 | 1.6° | 5.9° |
| C5 | C6 | C13 | H9 | 2.2° | 0.0° |
| C5 | C6 | C7 | H15 | 2.0° | 0.3° |
| C6 | C7 | C8 | H15 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 0.1° | 0.5° |
| C7 | C6 | C13 | C12 | 1.0° | 0.2° |
| C7 | C6 | C13 | H9 | 179.0° | 179.8° |
| C6 | C7 | C8 | H14 | 179.9° | 179.8° |
| C8 | C7 | C6 | C13 | 0.8° | 0.1° |
| C7 | C8 | C9 | H14 | 180.0° | 179.3° |
| C7 | C8 | C9 | C12 | 0.8° | 0.6° |
| C7 | C8 | C9 | O1 | 176.9° | 179.4° |
| C6 | C13 | C12 | H9 | 180.0° | 180.0° |
| C6 | C13 | C12 | C9 | 0.3° | 0.0° |
| C6 | C13 | C12 | O2 | 180.0° | 179.3° |
| C13 | C6 | C7 | H15 | 179.2° | 180.0° |
| C8 | C9 | C12 | C13 | 0.6° | 0.4° |
| C8 | C9 | C12 | O1 | 177.5° | 180.0° |
| C8 | C9 | C12 | O2 | 179.1° | 179.7° |
| C8 | C9 | O1 | C10 | 171.1° | 162.7° |
| C9 | C8 | C7 | H15 | 179.9° | 179.5° |
| C13 | C12 | C9 | O2 | 179.7° | 179.3° |
| C13 | C12 | C9 | O1 | 177.0° | 179.7° |
| C13 | C12 | O2 | C11 | 161.5° | 163.5° |
| C12 | C9 | O1 | C10 | 11.3° | 17.3° |
| C9 | C12 | O2 | C11 | 18.9° | 17.2° |
| C9 | C12 | C13 | H9 | 179.7° | 179.9° |
| C12 | C9 | C8 | H14 | 179.2° | 179.9° |
| O1 | C9 | C12 | O2 | 3.4° | 0.3° |
| C9 | O1 | C10 | C11 | 31.7° | 46.3° |
| C9 | O1 | C10 | H12 | 152.2° | 73.3° |
| C9 | O1 | C10 | H13 | 88.9° | 166.0° |
| O1 | C9 | C8 | H14 | 3.1° | 0.1° |
| C12 | O2 | C11 | C10 | 38.6° | 46.2° |
| O2 | C12 | C13 | H9 | 0.0° | 0.7° |
| C12 | O2 | C11 | H10 | 158.9° | 165.9° |
| C12 | O2 | C11 | H11 | 81.8° | 73.6° |
| O1 | C10 | C11 | O2 | 45.2° | 59.8° |
| O1 | C10 | C11 | H12 | 120.5° | 119.7° |
| O1 | C10 | C11 | H13 | 120.6° | 119.8° |
| O1 | C10 | C11 | H10 | 165.6° | 179.5° |
| O1 | C10 | C11 | H11 | 75.2° | 59.8° |
| O1 | C10 | H12 | H13 | 118.3° | 120.7° |
| O2 | C11 | C10 | H10 | 120.4° | 119.7° |
| O2 | C11 | C10 | H11 | 120.4° | 119.7° |
| O2 | C11 | H10 | H11 | 118.9° | 120.5° |
| O2 | C11 | C10 | H12 | 165.7° | 59.8° |
| O2 | C11 | C10 | H13 | 75.4° | 179.6° |
| C10 | C11 | H10 | H11 | 118.9° | 120.7° |
| C11 | C10 | H12 | H13 | 118.4° | 120.5° |
| H1 | C2 | C3 | H16 | 0.2° | 0.0° |
| H2 | C18 | C19 | H20 | 0.3° | 0.1° |
| H4 | C29 | C28 | H21 | 0.3° | 0.2° |
| H10 | C11 | C10 | H12 | 73.9° | 59.9° |
| H10 | C11 | C10 | H13 | 45.0° | 60.7° |
| H11 | C11 | C10 | H12 | 45.3° | 179.5° |
| H11 | C11 | C10 | H13 | 164.3° | 59.9° |
| H14 | C8 | C7 | H15 | 0.1° | 0.3° |
| H17 | C | H18 | H19 | 120.0° | 120.0° |
| H21 | C28 | C21 | C22 | 148.6° | 0.1° |
| C21 | C22 | C23 | H3 | 90.0° | 119.9° |
| C21 | C22 | C23 | H22 | 90.0° | 120.1° |
| C21 | C22 | C23 | C24 | 90.0° | 180.0° |
| C21 | C22 | H3 | H22 | 90.0° | 120.0° |
| C21 | C22 | C23 | H23 | 90.0° | 60.1° |
| C21 | C22 | C23 | H24 | 90.0° | 59.9° |
| C22 | C23 | C24 | H23 | 90.0° | 120.0° |
| C22 | C23 | C24 | H24 | 90.0° | 120.1° |
| C22 | C23 | C24 | N3 | 90.0° | 180.0° |
| C23 | C22 | H3 | H22 | 90.0° | 120.0° |
| C22 | C23 | H23 | H24 | 90.0° | 120.0° |
| C22 | C23 | C24 | H25 | 90.0° | 60.0° |
| C22 | C23 | C24 | H26 | 90.0° | 59.9° |
| C23 | C24 | N3 | H25 | 90.0° | 120.0° |
| C23 | C24 | N3 | H26 | 90.0° | 120.0° |
| C23 | C24 | N3 | C26 | 90.0° | 170.0° |
| C23 | C24 | N3 | C33 | 90.0° | 69.2° |
| C24 | C23 | C22 | H3 | 90.0° | 60.1° |
| C24 | C23 | C22 | H22 | 90.0° | 59.9° |
| C24 | C23 | H23 | H24 | 90.0° | 120.0° |
| C23 | C24 | H25 | H26 | 90.0° | 120.0° |
| C24 | N3 | C26 | C33 | 90.0° | 122.3° |
| C24 | N3 | C26 | C27 | 90.0° | 123.3° |
| C24 | N3 | C33 | C32 | 90.0° | 146.4° |
| N3 | C24 | C23 | H23 | 90.0° | 60.0° |
| N3 | C24 | C23 | H24 | 90.0° | 60.0° |
| N3 | C24 | H25 | H26 | 90.0° | 120.0° |
| C24 | N3 | C26 | H27 | 90.0° | 117.4° |
| C24 | N3 | C26 | H28 | 90.0° | 3.8° |
| C24 | N3 | C33 | H33 | 90.0° | 27.5° |
| C24 | N3 | C33 | H34 | 90.0° | 94.8° |
| N3 | C26 | C27 | H27 | 90.0° | 119.4° |
| N3 | C26 | C27 | H28 | 90.0° | 119.5° |
| N3 | C26 | C27 | C32 | 90.0° | 22.2° |
| C26 | N3 | C33 | C32 | 90.0° | 24.1° |
| C26 | N3 | C24 | H25 | 90.0° | 50.0° |
| C26 | N3 | C24 | H26 | 90.0° | 70.0° |
| N3 | C26 | H27 | H28 | 90.0° | 121.2° |
| N3 | C26 | C27 | H29 | 90.0° | 140.6° |
| N3 | C26 | C27 | H30 | 90.0° | 96.1° |
| C26 | N3 | C33 | H33 | 90.0° | 94.7° |
| C26 | N3 | C33 | H34 | 90.0° | 142.9° |
| C26 | C27 | C32 | H29 | 90.0° | 118.4° |
| C26 | C27 | C32 | H30 | 90.0° | 118.3° |
| C26 | C27 | C32 | C33 | 90.0° | 35.6° |
| C27 | C26 | N3 | C33 | 90.0° | 1.0° |
| C27 | C26 | H27 | H28 | 90.0° | 121.1° |
| C26 | C27 | H29 | H30 | 90.0° | 123.2° |
| C26 | C27 | C32 | H31 | 90.0° | 82.5° |
| C26 | C27 | C32 | H32 | 90.0° | 153.7° |
| C27 | C32 | C33 | H31 | 90.0° | 118.1° |
| C27 | C32 | C33 | H32 | 90.0° | 118.1° |
| C27 | C32 | C33 | N3 | 90.0° | 37.1° |
| C32 | C27 | C26 | H27 | 90.0° | 97.2° |
| C32 | C27 | C26 | H28 | 90.0° | 141.7° |
| C32 | C27 | H29 | H30 | 90.0° | 123.2° |
| C27 | C32 | H31 | H32 | 90.0° | 123.9° |
| C27 | C32 | C33 | H33 | 90.0° | 81.8° |
| C27 | C32 | C33 | H34 | 90.0° | 155.9° |
| C32 | C33 | N3 | H33 | 90.0° | 118.9° |
| C32 | C33 | N3 | H34 | 90.0° | 118.8° |
| C33 | C32 | C27 | H29 | 90.0° | 154.0° |
| C33 | C32 | C27 | H30 | 90.0° | 82.7° |
| C33 | C32 | H31 | H32 | 90.0° | 123.9° |
| C32 | C33 | H33 | H34 | 90.0° | 122.3° |
| C33 | N3 | C24 | H25 | 90.0° | 170.8° |
| C33 | N3 | C24 | H26 | 90.0° | 50.8° |
| C33 | N3 | C26 | H27 | 90.0° | 120.4° |
| C33 | N3 | C26 | H28 | 90.0° | 118.4° |
| N3 | C33 | C32 | H31 | 90.0° | 81.0° |
| N3 | C33 | C32 | H32 | 90.0° | 155.2° |
| N3 | C33 | H33 | H34 | 90.0° | 122.3° |
| H3 | C22 | C23 | H23 | 90.0° | 180.0° |
| H3 | C22 | C23 | H24 | 90.0° | 60.0° |
| H22 | C22 | C23 | H23 | 90.0° | 60.0° |
| H22 | C22 | C23 | H24 | 90.0° | 180.0° |
| H23 | C23 | C24 | H25 | 90.0° | 180.0° |
| H23 | C23 | C24 | H26 | 90.0° | 60.1° |
| H24 | C23 | C24 | H25 | 90.0° | 60.0° |
| H24 | C23 | C24 | H26 | 90.0° | 180.0° |
| H27 | C26 | C27 | H29 | 90.0° | 21.2° |
| H27 | C26 | C27 | H30 | 90.0° | 144.5° |
| H28 | C26 | C27 | H29 | 90.0° | 99.9° |
| H28 | C26 | C27 | H30 | 90.0° | 23.4° |
| H29 | C27 | C32 | H31 | 90.0° | 36.0° |
| H29 | C27 | C32 | H32 | 90.0° | 87.8° |
| H30 | C27 | C32 | H31 | 90.0° | 159.2° |
| H30 | C27 | C32 | H32 | 90.0° | 35.4° |
| H31 | C32 | C33 | H33 | 90.0° | 160.1° |
| H31 | C32 | C33 | H34 | 90.0° | 37.8° |
| H32 | C32 | C33 | H33 | 90.0° | 36.3° |
| H32 | C32 | C33 | H34 | 90.0° | 86.0° |
