Y36
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | C11 | doub | 1.39Å | 1.34Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.36Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C9 | sing | 1.53Å | 1.56Å | |
| C10 | C9 | sing | 1.51Å | 1.54Å | |
| C10 | N1 | doub | 1.32Å | 1.35Å | Aromatic |
| C14 | N1 | sing | 1.32Å | 1.34Å | Aromatic |
| C19 | C18 | doub | 1.39Å | 1.40Å | Aromatic |
| C19 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C18 | C17 | sing | 1.39Å | 1.36Å | Aromatic |
| C9 | C15 | sing | 1.51Å | 1.55Å | |
| C9 | N2 | sing | 1.47Å | 1.47Å | |
| C15 | N3 | doub | 1.32Å | 1.33Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.37Å | Aromatic |
| N3 | C16 | sing | 1.32Å | 1.36Å | Aromatic |
| N2 | C8 | sing | 1.37Å | 1.37Å | Aromatic |
| N2 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| C8 | C7 | doub | 1.34Å | 1.34Å | Aromatic |
| C5 | C4 | doub | 1.39Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.41Å | 1.40Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| C7 | C6 | sing | 1.46Å | 1.44Å | Aromatic |
| C28 | N5 | sing | 1.47Å | 1.42Å | |
| N5 | C25 | sing | 1.40Å | 1.39Å | |
| C6 | C1 | doub | 1.40Å | 1.42Å | Aromatic |
| C24 | C25 | doub | 1.37Å | 1.39Å | |
| C24 | C23 | sing | 1.41Å | 1.37Å | |
| C25 | C26 | sing | 1.41Å | 1.31Å | |
| C3 | C23 | sing | 1.48Å | 1.49Å | |
| C3 | C2 | doub | 1.40Å | 1.39Å | Aromatic |
| C23 | C27 | doub | 1.36Å | 1.32Å | |
| C26 | O3 | doub | 1.22Å | 1.26Å | |
| C26 | N6 | sing | 1.35Å | 1.36Å | |
| C1 | C2 | sing | 1.38Å | 1.41Å | Aromatic |
| C1 | N4 | sing | 1.40Å | 1.39Å | |
| C27 | N6 | sing | 1.36Å | 1.42Å | |
| N6 | C29 | sing | 1.46Å | 1.45Å | |
| N4 | S1 | sing | 1.66Å | 1.60Å | |
| S1 | O2 | doub | 1.42Å | 1.44Å | |
| S1 | O1 | doub | 1.42Å | 1.42Å | |
| S1 | C21 | sing | 1.81Å | 1.78Å | |
| C22 | C21 | sing | 1.53Å | 1.52Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C11 | H5 | sing | 1.08Å | 1.08Å | |
| C12 | H6 | sing | 1.08Å | 1.08Å | |
| C13 | H7 | sing | 1.08Å | 1.08Å | |
| C14 | H8 | sing | 1.08Å | 1.08Å | |
| C16 | H9 | sing | 1.08Å | 1.08Å | |
| C17 | H10 | sing | 1.08Å | 1.08Å | |
| C18 | H11 | sing | 1.08Å | 1.08Å | |
| C19 | H12 | sing | 1.08Å | 1.08Å | |
| C20 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å | |
| C21 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | H17 | sing | 1.09Å | 1.10Å | |
| C22 | H18 | sing | 1.09Å | 1.10Å | |
| C22 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| N4 | H21 | sing | 0.97Å | 1.00Å | |
| C24 | H22 | sing | 1.08Å | 1.08Å | |
| C27 | H23 | sing | 1.08Å | 1.08Å | |
| C28 | H24 | sing | 1.09Å | 1.10Å | |
| C28 | H25 | sing | 1.09Å | 1.10Å | |
| C28 | H26 | sing | 1.09Å | 1.10Å | |
| N5 | H27 | sing | 0.97Å | 1.00Å | |
| C29 | H28 | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H30 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C12 | C13 | 121.2° | 118.4° |
| C12 | C11 | C10 | 119.4° | 119.1° |
| C12 | C11 | H5 | 120.3° | 120.4° |
| C11 | C12 | H6 | 119.4° | 120.8° |
| C12 | C13 | C14 | 117.5° | 119.2° |
| C13 | C12 | H6 | 119.4° | 120.8° |
| C12 | C13 | H7 | 121.3° | 120.4° |
| C11 | C10 | C9 | 116.7° | 119.6° |
| C11 | C10 | N1 | 120.8° | 120.8° |
| C10 | C11 | H5 | 120.3° | 120.4° |
| C13 | C14 | N1 | 122.4° | 120.8° |
| C14 | C13 | H7 | 121.2° | 120.4° |
| C13 | C14 | H8 | 118.8° | 119.6° |
| C20 | C9 | C10 | 108.2° | 109.5° |
| C20 | C9 | C15 | 106.0° | 109.5° |
| C20 | C9 | N2 | 110.5° | 109.5° |
| C9 | C20 | H13 | 109.5° | 109.5° |
| C9 | C20 | H14 | 109.4° | 109.4° |
| C9 | C20 | H15 | 109.4° | 109.5° |
| C9 | C10 | N1 | 122.3° | 119.6° |
| C10 | C9 | C15 | 109.5° | 109.5° |
| C10 | C9 | N2 | 111.5° | 109.5° |
| C10 | N1 | C14 | 118.7° | 121.7° |
| N1 | C14 | H8 | 118.8° | 119.6° |
| C18 | C19 | C15 | 119.1° | 119.2° |
| C19 | C18 | C17 | 118.7° | 118.4° |
| C19 | C18 | H11 | 120.7° | 120.8° |
| C18 | C19 | H12 | 120.5° | 120.4° |
| C19 | C15 | C9 | 121.4° | 119.6° |
| C19 | C15 | N3 | 122.2° | 120.8° |
| C15 | C19 | H12 | 120.5° | 120.4° |
| C18 | C17 | C16 | 119.5° | 119.2° |
| C18 | C17 | H10 | 120.3° | 120.4° |
| C17 | C18 | H11 | 120.7° | 120.8° |
| C15 | C9 | N2 | 111.0° | 109.4° |
| C9 | C15 | N3 | 116.4° | 119.6° |
| C9 | N2 | C8 | 127.5° | 125.0° |
| C9 | N2 | C5 | 125.3° | 125.1° |
| C15 | N3 | C16 | 118.0° | 121.7° |
| C17 | C16 | N3 | 122.5° | 120.8° |
| C17 | C16 | H9 | 118.8° | 119.6° |
| C16 | C17 | H10 | 120.2° | 120.4° |
| N3 | C16 | H9 | 118.8° | 119.6° |
| C8 | N2 | C5 | 106.9° | 109.9° |
| N2 | C8 | C7 | 112.1° | 109.8° |
| N2 | C8 | H4 | 123.9° | 125.1° |
| N2 | C5 | C4 | 130.1° | 133.3° |
| N2 | C5 | C6 | 107.6° | 107.2° |
| C8 | C7 | C6 | 106.2° | 107.0° |
| C8 | C7 | H3 | 126.9° | 126.4° |
| C7 | C8 | H4 | 123.9° | 125.1° |
| C4 | C5 | C6 | 122.3° | 119.6° |
| C5 | C4 | C3 | 118.9° | 120.0° |
| C5 | C4 | H2 | 120.5° | 120.0° |
| C5 | C6 | C7 | 107.1° | 106.1° |
| C5 | C6 | C1 | 118.6° | 120.1° |
| C4 | C3 | C23 | 118.7° | 119.8° |
| C4 | C3 | C2 | 120.8° | 120.4° |
| C3 | C4 | H2 | 120.6° | 120.0° |
| C7 | C6 | C1 | 134.3° | 133.8° |
| C6 | C7 | H3 | 126.9° | 126.5° |
| C28 | N5 | C25 | 121.6° | 120.0° |
| N5 | C28 | H24 | 109.5° | 109.4° |
| N5 | C28 | H25 | 109.5° | 109.4° |
| N5 | C28 | H26 | 109.5° | 109.5° |
| C28 | N5 | H27 | 106.4° | 120.0° |
| N5 | C25 | C24 | 123.5° | 120.3° |
| N5 | C25 | C26 | 115.7° | 120.3° |
| C25 | N5 | H27 | 106.3° | 120.0° |
| C6 | C1 | C2 | 119.0° | 119.7° |
| C6 | C1 | N4 | 119.5° | 120.2° |
| C25 | C24 | C23 | 121.0° | 119.1° |
| C24 | C25 | C26 | 120.8° | 119.3° |
| C25 | C24 | H22 | 119.5° | 120.4° |
| C24 | C23 | C3 | 117.9° | 120.1° |
| C24 | C23 | C27 | 119.9° | 119.8° |
| C23 | C24 | H22 | 119.5° | 120.5° |
| C25 | C26 | O3 | 121.3° | 119.9° |
| C25 | C26 | N6 | 117.8° | 120.2° |
| C23 | C3 | C2 | 120.3° | 119.8° |
| C3 | C23 | C27 | 122.0° | 120.1° |
| C3 | C2 | C1 | 120.4° | 120.2° |
| C3 | C2 | H1 | 119.8° | 119.9° |
| C23 | C27 | N6 | 117.3° | 120.6° |
| C23 | C27 | H23 | 121.4° | 119.7° |
| O3 | C26 | N6 | 120.9° | 119.8° |
| C26 | N6 | C27 | 123.1° | 120.9° |
| C26 | N6 | C29 | 118.2° | 119.6° |
| C2 | C1 | N4 | 121.5° | 120.1° |
| C1 | C2 | H1 | 119.8° | 119.9° |
| C1 | N4 | S1 | 125.3° | 120.0° |
| C1 | N4 | H21 | 105.4° | 120.0° |
| C27 | N6 | C29 | 118.7° | 119.5° |
| N6 | C27 | H23 | 121.3° | 119.7° |
| N6 | C29 | H28 | 109.5° | 109.5° |
| N6 | C29 | H29 | 109.4° | 109.5° |
| N6 | C29 | H30 | 109.5° | 109.4° |
| N4 | S1 | O2 | 109.2° | 104.3° |
| N4 | S1 | O1 | 106.0° | 104.3° |
| N4 | S1 | C21 | 107.3° | 104.5° |
| S1 | N4 | H21 | 105.4° | 120.0° |
| O2 | S1 | O1 | 117.9° | 121.0° |
| O2 | S1 | C21 | 107.4° | 110.5° |
| O1 | S1 | C21 | 108.7° | 110.5° |
| S1 | C21 | C22 | 110.2° | 109.5° |
| S1 | C21 | H16 | 109.3° | 109.4° |
| S1 | C21 | H17 | 109.3° | 109.5° |
| C22 | C21 | H16 | 109.3° | 109.5° |
| C22 | C21 | H17 | 109.3° | 109.5° |
| C21 | C22 | H18 | 109.5° | 109.5° |
| C21 | C22 | H19 | 109.4° | 109.5° |
| C21 | C22 | H20 | 109.5° | 109.5° |
| H13 | C20 | H14 | 109.5° | 109.5° |
| H13 | C20 | H15 | 109.5° | 109.5° |
| H14 | C20 | H15 | 109.5° | 109.4° |
| H16 | C21 | H17 | 109.5° | 109.5° |
| H18 | C22 | H19 | 109.4° | 109.5° |
| H18 | C22 | H20 | 109.5° | 109.4° |
| H19 | C22 | H20 | 109.5° | 109.5° |
| H24 | C28 | H25 | 109.5° | 109.5° |
| H24 | C28 | H26 | 109.5° | 109.5° |
| H25 | C28 | H26 | 109.5° | 109.6° |
| H28 | C29 | H29 | 109.5° | 109.5° |
| H28 | C29 | H30 | 109.5° | 109.5° |
| H29 | C29 | H30 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C12 | C13 | H6 | 180.0° | 180.0° |
| C12 | C11 | C10 | H5 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.6° | 0.0° |
| C12 | C11 | C10 | C9 | 174.6° | 180.0° |
| C12 | C11 | C10 | N1 | 0.7° | 0.2° |
| C11 | C12 | C13 | H7 | 179.4° | 179.9° |
| C13 | C12 | C11 | C10 | 1.4° | 0.0° |
| C12 | C13 | C14 | H7 | 180.0° | 179.9° |
| C12 | C13 | C14 | N1 | 0.9° | 0.3° |
| C13 | C12 | C11 | H5 | 178.6° | 180.0° |
| C12 | C13 | C14 | H8 | 179.1° | 180.0° |
| C11 | C10 | C9 | C20 | 48.9° | 45.3° |
| C11 | C10 | C9 | N1 | 175.3° | 179.7° |
| C11 | C10 | N1 | C14 | 0.8° | 0.5° |
| C11 | C10 | C9 | C15 | 66.2° | 74.7° |
| C11 | C10 | C9 | N2 | 170.6° | 165.3° |
| C10 | C11 | C12 | H6 | 178.6° | 180.0° |
| C13 | C14 | N1 | C10 | 1.6° | 0.5° |
| C13 | C14 | N1 | H8 | 180.0° | 179.8° |
| C14 | C13 | C12 | H6 | 179.4° | 180.0° |
| C20 | C9 | C10 | C15 | 115.1° | 120.0° |
| C20 | C9 | C10 | N2 | 121.7° | 120.0° |
| C20 | C9 | C10 | N1 | 126.4° | 135.0° |
| C20 | C9 | C15 | C19 | 119.4° | 74.8° |
| C20 | C9 | C15 | N2 | 120.0° | 120.0° |
| C20 | C9 | C15 | N3 | 60.2° | 105.0° |
| C20 | C9 | N2 | C8 | 23.2° | 4.9° |
| C20 | C9 | N2 | C5 | 164.6° | 174.7° |
| C9 | C20 | H13 | H14 | 120.0° | 120.0° |
| C9 | C20 | H13 | H15 | 120.0° | 120.0° |
| C9 | C20 | H14 | H15 | 120.0° | 119.9° |
| C9 | C10 | N1 | C14 | 175.8° | 179.8° |
| C10 | C9 | C15 | C19 | 2.9° | 45.3° |
| C10 | C9 | C15 | N2 | 123.5° | 120.0° |
| C10 | C9 | C15 | N3 | 176.7° | 135.0° |
| C10 | C9 | N2 | C8 | 97.2° | 115.2° |
| C10 | C9 | N2 | C5 | 75.0° | 65.2° |
| C9 | C10 | C11 | H5 | 5.4° | 0.0° |
| C10 | C9 | C20 | H13 | 180.0° | 60.0° |
| C10 | C9 | C20 | H14 | 60.0° | 60.0° |
| C10 | C9 | C20 | H15 | 60.0° | 180.0° |
| N1 | C10 | C9 | C15 | 118.6° | 105.0° |
| N1 | C10 | C9 | N2 | 4.7° | 15.0° |
| N1 | C10 | C11 | H5 | 179.3° | 179.8° |
| C10 | N1 | C14 | H8 | 178.4° | 179.7° |
| N1 | C14 | C13 | H7 | 179.1° | 179.8° |
| C18 | C19 | C15 | H12 | 180.0° | 179.9° |
| C19 | C18 | C17 | H11 | 180.0° | 179.7° |
| C18 | C19 | C15 | C9 | 179.1° | 180.0° |
| C18 | C19 | C15 | N3 | 0.5° | 0.2° |
| C19 | C18 | C17 | C16 | 0.8° | 0.3° |
| C19 | C18 | C17 | H10 | 179.2° | 180.0° |
| C15 | C19 | C18 | C17 | 1.0° | 0.0° |
| C19 | C15 | C9 | N3 | 179.6° | 179.7° |
| C19 | C15 | C9 | N2 | 120.6° | 165.2° |
| C19 | C15 | N3 | C16 | 1.6° | 0.2° |
| C15 | C19 | C18 | H11 | 179.0° | 179.7° |
| C18 | C17 | C16 | H10 | 180.0° | 179.7° |
| C18 | C17 | C16 | N3 | 3.1° | 0.3° |
| C18 | C17 | C16 | H9 | 176.9° | 179.8° |
| C17 | C18 | C19 | H12 | 179.1° | 180.0° |
| C9 | C15 | N3 | C16 | 178.7° | 180.0° |
| C15 | C9 | N2 | C8 | 140.4° | 124.8° |
| C15 | C9 | N2 | C5 | 47.3° | 54.8° |
| C9 | C15 | C19 | H12 | 0.9° | 0.0° |
| C15 | C9 | C20 | H13 | 62.7° | 60.0° |
| C15 | C9 | C20 | H14 | 177.3° | 180.0° |
| C15 | C9 | C20 | H15 | 57.4° | 60.0° |
| N2 | C9 | C15 | N3 | 59.7° | 15.0° |
| C9 | N2 | C8 | C5 | 173.4° | 179.6° |
| C9 | N2 | C8 | C7 | 173.9° | 180.0° |
| C9 | N2 | C5 | C4 | 5.9° | 0.3° |
| C9 | N2 | C5 | C6 | 175.1° | 180.0° |
| C9 | N2 | C8 | H4 | 6.1° | 0.2° |
| N2 | C9 | C20 | H13 | 57.7° | 180.0° |
| N2 | C9 | C20 | H14 | 62.3° | 60.0° |
| N2 | C9 | C20 | H15 | 177.7° | 60.0° |
| C15 | N3 | C16 | C17 | 3.5° | 0.0° |
| C15 | N3 | C16 | H9 | 176.5° | 180.0° |
| N3 | C15 | C19 | H12 | 179.5° | 179.7° |
| C17 | C16 | N3 | H9 | 180.0° | 180.0° |
| C16 | C17 | C18 | H11 | 179.2° | 180.0° |
| N3 | C16 | C17 | H10 | 176.9° | 180.0° |
| N2 | C8 | C7 | H4 | 180.0° | 179.8° |
| C8 | N2 | C5 | C4 | 179.5° | 179.9° |
| C8 | N2 | C5 | C6 | 1.5° | 0.3° |
| N2 | C8 | C7 | C6 | 0.8° | 0.2° |
| N2 | C8 | C7 | H3 | 179.2° | 179.8° |
| C5 | N2 | C8 | C7 | 0.5° | 0.3° |
| N2 | C5 | C4 | C6 | 178.8° | 179.7° |
| N2 | C5 | C4 | C3 | 179.0° | 180.0° |
| N2 | C5 | C6 | C7 | 2.0° | 0.2° |
| N2 | C5 | C6 | C1 | 179.6° | 179.7° |
| N2 | C5 | C4 | H2 | 1.0° | 0.1° |
| C5 | N2 | C8 | H4 | 179.5° | 179.9° |
| C8 | C7 | C6 | C5 | 1.7° | 0.0° |
| C8 | C7 | C6 | H3 | 180.0° | 180.0° |
| C8 | C7 | C6 | C1 | 179.7° | 179.4° |
| C5 | C4 | C3 | H2 | 180.0° | 179.9° |
| C4 | C5 | C6 | C7 | 179.0° | 180.0° |
| C4 | C5 | C6 | C1 | 0.6° | 0.5° |
| C5 | C4 | C3 | C23 | 175.3° | 180.0° |
| C5 | C4 | C3 | C2 | 0.2° | 0.0° |
| C6 | C5 | C4 | C3 | 0.1° | 0.3° |
| C5 | C6 | C7 | C1 | 178.0° | 179.4° |
| C5 | C6 | C1 | C2 | 0.6° | 0.5° |
| C5 | C6 | C1 | N4 | 178.0° | 179.8° |
| C6 | C5 | C4 | H2 | 179.8° | 179.8° |
| C5 | C6 | C7 | H3 | 178.3° | 180.0° |
| C4 | C3 | C23 | C24 | 47.5° | 65.3° |
| C4 | C3 | C23 | C2 | 175.5° | 180.0° |
| C4 | C3 | C23 | C27 | 135.9° | 115.1° |
| C4 | C3 | C2 | C1 | 0.1° | 0.0° |
| C4 | C3 | C2 | H1 | 179.9° | 180.0° |
| C7 | C6 | C1 | C2 | 178.5° | 179.8° |
| C7 | C6 | C1 | N4 | 4.1° | 0.5° |
| C6 | C7 | C8 | H4 | 179.3° | 180.0° |
| C28 | N5 | C25 | H27 | 121.7° | 179.9° |
| C28 | N5 | C25 | C24 | 26.3° | 180.0° |
| C28 | N5 | C25 | C26 | 156.2° | 0.1° |
| N5 | C28 | H24 | H25 | 120.0° | 119.9° |
| N5 | C28 | H24 | H26 | 120.0° | 120.0° |
| N5 | C28 | H25 | H26 | 120.0° | 120.1° |
| N5 | C25 | C24 | C26 | 177.3° | 180.0° |
| N5 | C25 | C24 | C23 | 177.5° | 180.0° |
| N5 | C25 | C26 | O3 | 2.1° | 0.0° |
| N5 | C25 | C26 | N6 | 179.7° | 179.9° |
| N5 | C25 | C24 | H22 | 2.5° | 0.0° |
| C25 | N5 | C28 | H24 | 180.0° | 60.0° |
| C25 | N5 | C28 | H25 | 60.0° | 59.9° |
| C25 | N5 | C28 | H26 | 60.0° | 180.0° |
| C6 | C1 | C2 | C3 | 0.3° | 0.2° |
| C6 | C1 | C2 | N4 | 177.3° | 179.7° |
| C6 | C1 | N4 | S1 | 148.0° | 144.6° |
| C6 | C1 | C2 | H1 | 179.7° | 179.8° |
| C1 | C6 | C7 | H3 | 0.3° | 0.6° |
| C6 | C1 | N4 | H21 | 89.9° | 35.3° |
| C25 | C24 | C23 | H22 | 180.0° | 180.0° |
| C25 | C24 | C23 | C3 | 180.0° | 180.0° |
| C25 | C24 | C23 | C27 | 3.3° | 0.3° |
| C24 | C25 | C26 | O3 | 175.4° | 180.0° |
| C24 | C25 | C26 | N6 | 2.7° | 0.1° |
| C24 | C25 | N5 | H27 | 148.0° | 0.1° |
| C23 | C24 | C25 | C26 | 0.1° | 0.1° |
| C24 | C23 | C3 | C27 | 176.6° | 179.6° |
| C24 | C23 | C3 | C2 | 128.0° | 114.7° |
| C24 | C23 | C27 | N6 | 3.8° | 0.7° |
| C24 | C23 | C27 | H23 | 176.2° | 179.7° |
| C25 | C26 | O3 | N6 | 178.1° | 179.9° |
| C25 | C26 | N6 | C27 | 2.1° | 0.5° |
| C25 | C26 | N6 | C29 | 176.1° | 180.0° |
| C26 | C25 | C24 | H22 | 179.9° | 180.0° |
| C26 | C25 | N5 | H27 | 34.5° | 180.0° |
| C23 | C3 | C2 | C1 | 175.3° | 180.0° |
| C3 | C23 | C27 | N6 | 179.7° | 179.7° |
| C23 | C3 | C2 | H1 | 4.7° | 0.0° |
| C23 | C3 | C4 | H2 | 4.7° | 0.0° |
| C3 | C23 | C24 | H22 | 0.0° | 0.1° |
| C3 | C23 | C27 | H23 | 0.3° | 0.1° |
| C2 | C3 | C23 | C27 | 48.6° | 65.0° |
| C3 | C2 | C1 | H1 | 180.0° | 180.0° |
| C3 | C2 | C1 | N4 | 177.6° | 179.9° |
| C2 | C3 | C4 | H2 | 179.8° | 179.9° |
| C23 | C27 | N6 | C26 | 1.2° | 0.8° |
| C23 | C27 | N6 | H23 | 180.0° | 179.6° |
| C23 | C27 | N6 | C29 | 179.4° | 179.7° |
| C27 | C23 | C24 | H22 | 176.7° | 179.7° |
| O3 | C26 | N6 | C27 | 176.0° | 179.6° |
| O3 | C26 | N6 | C29 | 5.8° | 0.1° |
| C26 | N6 | C27 | C29 | 178.2° | 179.5° |
| C26 | N6 | C27 | H23 | 178.8° | 179.7° |
| C26 | N6 | C29 | H28 | 180.0° | 0.1° |
| C26 | N6 | C29 | H29 | 60.0° | 120.0° |
| C26 | N6 | C29 | H30 | 60.0° | 120.0° |
| C2 | C1 | N4 | S1 | 29.3° | 35.7° |
| C2 | C1 | N4 | H21 | 92.8° | 144.4° |
| C1 | N4 | S1 | H21 | 122.2° | 179.9° |
| C1 | N4 | S1 | O2 | 28.4° | 175.0° |
| C1 | N4 | S1 | O1 | 156.3° | 57.1° |
| C1 | N4 | S1 | C21 | 87.7° | 58.9° |
| N4 | C1 | C2 | H1 | 2.4° | 0.0° |
| C27 | N6 | C29 | H28 | 1.7° | 179.7° |
| C27 | N6 | C29 | H29 | 118.3° | 59.6° |
| C27 | N6 | C29 | H30 | 121.7° | 60.4° |
| C29 | N6 | C27 | H23 | 0.6° | 0.1° |
| N6 | C29 | H28 | H29 | 120.0° | 120.0° |
| N6 | C29 | H28 | H30 | 120.0° | 119.9° |
| N6 | C29 | H29 | H30 | 120.0° | 120.0° |
| N4 | S1 | O2 | O1 | 120.9° | 116.8° |
| N4 | S1 | O2 | C21 | 116.0° | 111.8° |
| N4 | S1 | O1 | C21 | 115.1° | 111.7° |
| N4 | S1 | C21 | C22 | 61.9° | 180.0° |
| N4 | S1 | C21 | H16 | 178.0° | 60.0° |
| N4 | S1 | C21 | H17 | 58.2° | 60.0° |
| O2 | S1 | O1 | C21 | 122.4° | 131.5° |
| O2 | S1 | C21 | C22 | 179.1° | 68.3° |
| O2 | S1 | C21 | H16 | 60.8° | 51.7° |
| O2 | S1 | C21 | H17 | 59.0° | 171.7° |
| O2 | S1 | N4 | H21 | 150.5° | 4.9° |
| O1 | S1 | C21 | C22 | 52.3° | 68.4° |
| O1 | S1 | C21 | H16 | 67.8° | 171.6° |
| O1 | S1 | C21 | H17 | 172.4° | 51.6° |
| O1 | S1 | N4 | H21 | 81.6° | 122.9° |
| S1 | C21 | C22 | H16 | 120.1° | 120.0° |
| S1 | C21 | C22 | H17 | 120.1° | 120.0° |
| S1 | C21 | H16 | H17 | 119.7° | 120.0° |
| S1 | C21 | C22 | H18 | 180.0° | 60.0° |
| S1 | C21 | C22 | H19 | 60.0° | 180.0° |
| S1 | C21 | C22 | H20 | 60.0° | 60.0° |
| C21 | S1 | N4 | H21 | 34.5° | 121.0° |
| C22 | C21 | H16 | H17 | 119.7° | 120.0° |
| C21 | C22 | H18 | H19 | 120.0° | 120.0° |
| C21 | C22 | H18 | H20 | 120.0° | 120.0° |
| C21 | C22 | H19 | H20 | 120.0° | 120.0° |
| H3 | C7 | C8 | H4 | 0.8° | 0.0° |
| H5 | C11 | C12 | H6 | 1.4° | 0.0° |
| H6 | C12 | C13 | H7 | 0.7° | 0.0° |
| H7 | C13 | C14 | H8 | 0.9° | 0.0° |
| H9 | C16 | C17 | H10 | 3.1° | 0.0° |
| H10 | C17 | C18 | H11 | 0.8° | 0.3° |
| H11 | C18 | C19 | H12 | 1.0° | 0.3° |
| H13 | C20 | H14 | H15 | 120.0° | 120.1° |
| H16 | C21 | C22 | H18 | 59.9° | NaN° |
| H16 | C21 | C22 | H19 | 179.9° | 60.0° |
| H16 | C21 | C22 | H20 | 60.1° | 60.0° |
| H17 | C21 | C22 | H18 | 59.9° | 60.0° |
| H17 | C21 | C22 | H19 | 60.1° | 60.0° |
| H17 | C21 | C22 | H20 | 179.9° | 180.0° |
| H18 | C22 | H19 | H20 | 120.0° | 120.0° |
| H24 | C28 | H25 | H26 | 120.0° | 120.1° |
| H24 | C28 | N5 | H27 | 58.3° | 120.0° |
| H25 | C28 | N5 | H27 | 61.7° | 120.0° |
| H26 | C28 | N5 | H27 | 178.3° | 0.0° |
| H28 | C29 | H29 | H30 | 120.0° | 120.0° |
