M9S
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N3 | C16 | sing | 1.49Å | 1.47Å | |
| N3 | C13 | sing | 1.48Å | 1.38Å | |
| C16 | C15 | sing | 1.54Å | 1.52Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C12 | N2 | sing | 1.47Å | 1.45Å | |
| C10 | C9 | doub | 1.36Å | 1.37Å | Aromatic |
| C10 | C11 | sing | 1.39Å | 1.37Å | Aromatic |
| C13 | C14 | sing | 1.54Å | 1.48Å | |
| C9 | C8 | sing | 1.40Å | 1.37Å | Aromatic |
| N2 | C11 | sing | 1.38Å | 1.37Å | Aromatic |
| N2 | C17 | sing | 1.37Å | 1.35Å | Aromatic |
| C11 | C19 | doub | 1.41Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.54Å | 1.47Å | |
| N1 | C6 | sing | 1.31Å | 1.34Å | Aromatic |
| N1 | C7 | doub | 1.30Å | 1.30Å | Aromatic |
| C8 | C7 | sing | 1.48Å | 1.46Å | |
| C8 | C20 | doub | 1.39Å | 1.38Å | Aromatic |
| C2 | C3 | sing | 1.55Å | 1.49Å | |
| C2 | C1 | sing | 1.55Å | 1.24Å | |
| C6 | C5 | doub | 1.34Å | 1.33Å | Aromatic |
| C17 | C18 | doub | 1.34Å | 1.34Å | Aromatic |
| C7 | S | sing | 1.76Å | 1.69Å | Aromatic |
| C3 | N | sing | 1.49Å | 1.46Å | |
| C19 | C20 | sing | 1.39Å | 1.38Å | Aromatic |
| C19 | C18 | sing | 1.47Å | 1.40Å | Aromatic |
| C1 | C | sing | 1.54Å | 1.48Å | |
| C5 | S | sing | 1.76Å | 1.69Å | Aromatic |
| C5 | C4 | sing | 1.51Å | 1.39Å | |
| N | C | sing | 1.48Å | 1.46Å | |
| N | C4 | sing | 1.47Å | 1.47Å | |
| C25 | C4 | sing | 1.53Å | 1.54Å | |
| C25 | C24 | sing | 1.53Å | 1.51Å | |
| C4 | C21 | sing | 1.53Å | 1.53Å | |
| C24 | C23 | sing | 1.53Å | 1.45Å | |
| C21 | C22 | sing | 1.53Å | 1.50Å | |
| C23 | C22 | sing | 1.53Å | 1.45Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.08Å | 1.08Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C17 | H16 | sing | 1.08Å | 1.08Å | |
| C18 | H17 | sing | 1.08Å | 1.08Å | |
| C2 | H18 | sing | 1.09Å | 1.10Å | |
| C2 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H22 | 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 | |
| C24 | H27 | sing | 1.09Å | 1.10Å | |
| C24 | H28 | sing | 1.09Å | 1.10Å | |
| C25 | H29 | sing | 1.09Å | 1.10Å | |
| C25 | H30 | sing | 1.09Å | 1.10Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C6 | H33 | sing | 1.08Å | 1.08Å | |
| C9 | H34 | sing | 1.08Å | 1.08Å | |
| N3 | H35 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | N3 | C13 | 103.8° | 104.2° |
| N3 | C16 | C15 | 104.6° | 104.6° |
| N3 | C16 | H14 | 110.7° | 110.5° |
| N3 | C16 | H15 | 110.7° | 110.5° |
| C16 | N3 | H35 | 110.9° | 110.9° |
| N3 | C13 | C12 | 109.9° | 110.4° |
| N3 | C13 | C14 | 101.3° | 104.6° |
| N3 | C13 | H9 | 111.3° | 110.5° |
| C13 | N3 | H35 | 110.9° | 111.0° |
| C16 | C15 | C14 | 102.7° | 105.1° |
| C16 | C15 | H12 | 111.1° | 110.3° |
| C16 | C15 | H13 | 111.1° | 110.4° |
| C15 | C16 | H14 | 110.7° | 110.4° |
| C15 | C16 | H15 | 110.7° | 110.4° |
| C13 | C12 | N2 | 108.1° | 109.4° |
| C12 | C13 | C14 | 115.3° | 110.4° |
| C13 | C12 | H7 | 109.8° | 109.5° |
| C13 | C12 | H8 | 109.8° | 109.5° |
| C12 | C13 | H9 | 109.1° | 110.4° |
| C12 | N2 | C11 | 126.1° | 125.0° |
| C12 | N2 | C17 | 125.8° | 125.0° |
| N2 | C12 | H7 | 109.8° | 109.4° |
| N2 | C12 | H8 | 109.8° | 109.5° |
| C9 | C10 | C11 | 118.3° | 120.2° |
| C10 | C9 | C8 | 121.2° | 120.6° |
| C9 | C10 | H6 | 120.9° | 119.9° |
| C10 | C9 | H34 | 119.4° | 119.7° |
| C10 | C11 | N2 | 130.7° | 133.3° |
| C10 | C11 | C19 | 121.9° | 119.6° |
| C11 | C10 | H6 | 120.9° | 119.9° |
| C13 | C14 | C15 | 101.8° | 105.0° |
| C14 | C13 | H9 | 109.7° | 110.4° |
| C13 | C14 | H10 | 111.4° | 110.3° |
| C13 | C14 | H11 | 111.3° | 110.4° |
| C9 | C8 | C7 | 118.9° | 119.9° |
| C9 | C8 | C20 | 120.4° | 120.1° |
| C8 | C9 | H34 | 119.4° | 119.7° |
| C11 | N2 | C17 | 108.0° | 109.9° |
| N2 | C11 | C19 | 107.4° | 107.1° |
| N2 | C17 | C18 | 110.4° | 109.9° |
| N2 | C17 | H16 | 124.8° | 125.0° |
| C11 | C19 | C20 | 118.9° | 120.0° |
| C11 | C19 | C18 | 106.8° | 106.1° |
| C15 | C14 | H10 | 111.3° | 110.3° |
| C15 | C14 | H11 | 111.4° | 110.5° |
| C14 | C15 | H12 | 111.1° | 110.4° |
| C14 | C15 | H13 | 111.1° | 110.3° |
| C6 | N1 | C7 | 110.5° | 117.0° |
| N1 | C6 | C5 | 116.7° | 115.9° |
| N1 | C6 | H33 | 121.6° | 122.1° |
| N1 | C7 | C8 | 123.4° | 125.5° |
| N1 | C7 | S | 113.8° | 109.0° |
| C7 | C8 | C20 | 120.7° | 120.0° |
| C8 | C7 | S | 122.7° | 125.5° |
| C8 | C20 | C19 | 119.3° | 119.4° |
| C8 | C20 | H20 | 120.3° | 120.3° |
| C3 | C2 | C1 | 104.1° | 102.9° |
| C2 | C3 | N | 103.5° | 103.2° |
| C3 | C2 | H18 | 110.8° | 110.8° |
| C3 | C2 | H19 | 110.8° | 110.7° |
| C2 | C3 | H31 | 110.9° | 110.7° |
| C2 | C3 | H32 | 111.0° | 110.6° |
| C2 | C1 | C | 103.3° | 105.2° |
| C2 | C1 | H4 | 111.0° | 110.3° |
| C2 | C1 | H5 | 111.0° | 110.4° |
| C1 | C2 | H18 | 110.8° | 110.7° |
| C1 | C2 | H19 | 110.8° | 110.7° |
| C6 | C5 | S | 108.7° | 108.2° |
| C6 | C5 | C4 | 126.6° | 125.9° |
| C5 | C6 | H33 | 121.6° | 122.0° |
| C17 | C18 | C19 | 107.4° | 107.0° |
| C18 | C17 | H16 | 124.8° | 125.0° |
| C17 | C18 | H17 | 126.3° | 126.5° |
| C7 | S | C5 | 90.2° | 89.9° |
| C3 | N | C | 102.6° | 105.8° |
| C3 | N | C4 | 116.7° | 111.0° |
| N | C3 | H31 | 111.0° | 110.7° |
| N | C3 | H32 | 110.9° | 110.7° |
| C20 | C19 | C18 | 134.2° | 134.0° |
| C19 | C20 | H20 | 120.3° | 120.3° |
| C19 | C18 | H17 | 126.3° | 126.5° |
| C1 | C | N | 103.7° | 107.0° |
| C1 | C | H2 | 110.9° | 109.9° |
| C1 | C | H3 | 110.9° | 110.1° |
| C | C1 | H4 | 111.0° | 110.3° |
| C | C1 | H5 | 111.0° | 110.3° |
| S | C5 | C4 | 123.8° | 125.9° |
| C5 | C4 | N | 111.2° | 109.4° |
| C5 | C4 | C25 | 104.8° | 109.5° |
| C5 | C4 | C21 | 102.5° | 109.4° |
| C | N | C4 | 111.1° | 111.0° |
| N | C | H2 | 110.9° | 109.9° |
| N | C | H3 | 110.9° | 109.9° |
| N | C4 | C25 | 114.6° | 109.5° |
| N | C4 | C21 | 111.2° | 109.5° |
| C4 | C25 | C24 | 117.3° | 109.5° |
| C25 | C4 | C21 | 111.7° | 109.5° |
| C4 | C25 | H29 | 107.5° | 109.5° |
| C4 | C25 | H30 | 107.5° | 109.5° |
| C25 | C24 | C23 | 111.7° | 109.5° |
| C25 | C24 | H27 | 108.9° | 109.5° |
| C25 | C24 | H28 | 108.9° | 109.5° |
| C24 | C25 | H29 | 107.5° | 109.5° |
| C24 | C25 | H30 | 107.5° | 109.5° |
| C4 | C21 | C22 | 114.3° | 109.4° |
| C4 | C21 | H21 | 108.2° | 109.5° |
| C4 | C21 | H22 | 108.2° | 109.5° |
| C24 | C23 | C22 | 109.4° | 109.5° |
| C24 | C23 | H25 | 109.5° | 109.5° |
| C24 | C23 | H26 | 109.5° | 109.5° |
| C23 | C24 | H27 | 108.9° | 109.4° |
| C23 | C24 | H28 | 108.9° | 109.4° |
| C21 | C22 | C23 | 110.7° | 109.5° |
| C22 | C21 | H21 | 108.3° | 109.5° |
| C22 | C21 | H22 | 108.3° | 109.4° |
| C21 | C22 | H23 | 109.2° | 109.5° |
| C21 | C22 | H24 | 109.2° | 109.4° |
| C23 | C22 | H23 | 109.2° | 109.5° |
| C23 | C22 | H24 | 109.2° | 109.5° |
| C22 | C23 | H25 | 109.5° | 109.5° |
| C22 | C23 | H26 | 109.5° | 109.5° |
| H2 | C | H3 | 109.5° | 109.9° |
| H4 | C1 | H5 | 109.5° | 110.3° |
| H7 | C12 | H8 | 109.5° | 109.5° |
| H10 | C14 | H11 | 109.4° | 110.2° |
| H12 | C15 | H13 | 109.5° | 110.2° |
| H14 | C16 | H15 | 109.5° | 110.4° |
| H18 | C2 | H19 | 109.5° | 110.8° |
| H21 | C21 | H22 | 109.5° | 109.5° |
| H23 | C22 | H24 | 109.5° | 109.4° |
| H25 | C23 | H26 | 109.5° | 109.5° |
| H27 | C24 | H28 | 109.5° | 109.5° |
| H29 | C25 | H30 | 109.4° | 109.4° |
| H31 | C3 | H32 | 109.5° | 110.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C16 | N3 | C13 | H35 | 119.1° | 119.5° |
| N3 | C16 | C15 | H14 | 119.2° | 118.8° |
| N3 | C16 | C15 | H15 | 119.2° | 118.8° |
| C16 | N3 | C13 | C12 | 170.5° | 158.3° |
| C16 | N3 | C13 | C14 | 48.1° | 39.5° |
| N3 | C16 | C15 | C14 | 2.2° | 23.9° |
| C16 | N3 | C13 | H9 | 68.5° | 79.3° |
| N3 | C16 | C15 | H12 | 116.7° | 95.1° |
| N3 | C16 | C15 | H13 | 121.1° | 142.8° |
| N3 | C16 | H14 | H15 | 122.3° | 122.5° |
| C13 | N3 | C16 | C15 | 28.8° | 39.5° |
| N3 | C13 | C12 | C14 | 113.6° | 115.2° |
| N3 | C13 | C12 | H9 | 122.4° | 122.5° |
| N3 | C13 | C12 | N2 | 139.7° | 69.8° |
| N3 | C13 | C14 | H9 | 117.7° | 118.9° |
| N3 | C13 | C14 | C15 | 49.4° | 23.8° |
| N3 | C13 | C12 | H7 | 19.9° | 170.2° |
| N3 | C13 | C12 | H8 | 100.5° | 50.2° |
| N3 | C13 | C14 | H10 | 69.3° | 95.0° |
| N3 | C13 | C14 | H11 | 168.2° | 142.9° |
| C13 | N3 | C16 | H14 | 90.4° | 158.3° |
| C13 | N3 | C16 | H15 | 148.0° | 79.3° |
| C16 | C15 | C14 | C13 | 29.9° | 0.0° |
| C16 | C15 | C14 | H12 | 118.9° | 118.9° |
| C16 | C15 | C14 | H13 | 118.9° | 119.0° |
| C16 | C15 | C14 | H10 | 88.9° | 118.9° |
| C16 | C15 | C14 | H11 | 148.7° | 119.0° |
| C16 | C15 | H12 | H13 | 123.1° | 122.2° |
| C15 | C16 | H14 | H15 | 122.3° | 122.4° |
| C15 | C16 | N3 | H35 | 90.3° | 80.1° |
| C13 | C12 | N2 | H7 | 119.8° | 120.0° |
| C13 | C12 | N2 | H8 | 119.8° | 120.0° |
| C12 | C13 | C14 | H9 | 123.7° | 122.3° |
| C13 | C12 | N2 | C11 | 110.1° | 85.0° |
| C13 | C12 | N2 | C17 | 69.5° | 95.0° |
| C12 | C13 | C14 | C15 | 168.0° | 142.6° |
| C13 | C12 | H7 | H8 | 120.6° | 120.0° |
| C12 | C13 | C14 | H10 | 49.3° | 23.8° |
| C12 | C13 | C14 | H11 | 73.2° | 98.3° |
| C12 | C13 | N3 | H35 | 51.3° | 38.8° |
| C12 | N2 | C11 | C10 | 2.0° | 0.0° |
| N2 | C12 | C13 | C14 | 26.1° | 174.9° |
| C12 | N2 | C11 | C17 | 179.6° | 179.9° |
| C12 | N2 | C11 | C19 | 179.5° | 180.0° |
| C12 | N2 | C17 | C18 | 179.9° | 180.0° |
| N2 | C12 | H7 | H8 | 120.7° | 120.0° |
| N2 | C12 | C13 | H9 | 97.9° | 52.7° |
| C12 | N2 | C17 | H16 | 0.1° | 0.1° |
| C9 | C10 | C11 | H6 | 180.0° | 179.7° |
| C10 | C9 | C8 | H34 | 180.0° | 180.0° |
| C9 | C10 | C11 | N2 | 178.2° | 180.0° |
| C9 | C10 | C11 | C19 | 0.1° | 0.0° |
| C10 | C9 | C8 | C7 | 178.5° | 180.0° |
| C10 | C9 | C8 | C20 | 1.1° | 0.0° |
| C11 | C10 | C9 | C8 | 0.0° | 0.1° |
| C10 | C11 | N2 | C19 | 178.5° | 180.0° |
| C10 | C11 | N2 | C17 | 178.4° | 180.0° |
| C10 | C11 | C19 | C20 | 0.8° | 0.0° |
| C10 | C11 | C19 | C18 | 178.2° | 180.0° |
| C11 | C10 | C9 | H34 | 180.0° | 180.0° |
| C13 | C14 | C15 | H10 | 118.8° | 118.8° |
| C13 | C14 | C15 | H11 | 118.8° | 119.0° |
| C14 | C13 | C12 | H7 | 93.7° | 55.0° |
| C14 | C13 | C12 | H8 | 145.9° | 65.1° |
| C13 | C14 | H10 | H11 | 123.5° | 122.2° |
| C13 | C14 | C15 | H12 | 89.0° | 118.9° |
| C13 | C14 | C15 | H13 | 148.8° | 119.0° |
| C14 | C13 | N3 | H35 | 71.0° | 80.0° |
| C9 | C8 | C7 | N1 | 17.2° | 180.0° |
| C9 | C8 | C7 | C20 | 179.6° | 180.0° |
| C9 | C8 | C7 | S | 166.9° | 0.0° |
| C9 | C8 | C20 | C19 | 1.9° | 0.0° |
| C8 | C9 | C10 | H6 | 180.0° | 179.7° |
| C9 | C8 | C20 | H20 | 178.1° | 180.0° |
| C11 | N2 | C17 | C18 | 0.2° | 0.1° |
| N2 | C11 | C19 | C20 | 179.5° | 180.0° |
| N2 | C11 | C19 | C18 | 0.5° | 0.0° |
| N2 | C11 | C10 | H6 | 1.8° | 0.3° |
| C11 | N2 | C12 | H7 | 9.6° | 35.0° |
| C11 | N2 | C12 | H8 | 130.1° | 155.0° |
| C11 | N2 | C17 | H16 | 179.7° | 179.9° |
| C17 | N2 | C11 | C19 | 0.2° | 0.1° |
| N2 | C17 | C18 | H16 | 180.0° | 179.9° |
| N2 | C17 | C18 | C19 | 0.5° | 0.0° |
| C17 | N2 | C12 | H7 | 170.8° | 145.0° |
| C17 | N2 | C12 | H8 | 50.3° | 25.0° |
| N2 | C17 | C18 | H17 | 179.5° | 179.9° |
| C11 | C19 | C20 | C8 | 1.8° | 0.1° |
| C11 | C19 | C18 | C17 | 0.6° | 0.0° |
| C11 | C19 | C20 | C18 | 178.6° | 179.9° |
| C19 | C11 | C10 | H6 | 179.9° | 179.7° |
| C11 | C19 | C18 | H17 | 179.4° | 180.0° |
| C11 | C19 | C20 | H20 | 178.2° | 179.9° |
| C15 | C14 | C13 | H9 | 68.3° | 95.1° |
| C15 | C14 | H10 | H11 | 123.6° | 122.2° |
| C14 | C15 | H12 | H13 | 123.1° | 122.1° |
| C14 | C15 | C16 | H14 | 121.5° | 142.7° |
| C14 | C15 | C16 | H15 | 116.9° | 95.0° |
| C6 | N1 | C7 | C8 | 175.1° | 180.0° |
| N1 | C6 | C5 | H33 | 180.0° | 180.0° |
| C6 | N1 | C7 | S | 1.1° | 0.0° |
| N1 | C6 | C5 | S | 1.6° | 0.1° |
| N1 | C6 | C5 | C4 | 168.2° | 179.7° |
| N1 | C7 | C8 | S | 175.9° | 180.0° |
| N1 | C7 | C8 | C20 | 163.2° | 0.0° |
| C7 | N1 | C6 | C5 | 0.4° | 0.1° |
| N1 | C7 | S | C5 | 1.7° | 0.0° |
| C7 | N1 | C6 | H33 | 179.6° | 179.9° |
| C7 | C8 | C20 | C19 | 177.6° | 180.0° |
| C8 | C7 | S | C5 | 174.5° | 180.0° |
| C7 | C8 | C20 | H20 | 2.3° | 0.0° |
| C7 | C8 | C9 | H34 | 1.5° | 0.0° |
| C20 | C8 | C7 | S | 12.7° | 180.0° |
| C8 | C20 | C19 | H20 | 180.0° | 180.0° |
| C8 | C20 | C19 | C18 | 176.9° | 180.0° |
| C20 | C8 | C9 | H34 | 178.9° | 180.0° |
| C3 | C2 | C1 | H18 | 119.1° | 118.4° |
| C3 | C2 | C1 | H19 | 119.1° | 118.3° |
| C2 | C3 | N | H31 | 119.0° | 118.5° |
| C2 | C3 | N | H32 | 119.1° | 118.4° |
| C3 | C2 | C1 | C | 48.3° | 22.0° |
| C2 | C3 | N | C | 9.7° | 39.2° |
| C2 | C3 | N | C4 | 131.3° | 159.7° |
| C3 | C2 | C1 | H4 | 167.3° | 97.0° |
| C3 | C2 | C1 | H5 | 70.7° | 140.9° |
| C3 | C2 | H18 | H19 | 122.5° | 123.2° |
| C2 | C3 | H31 | H32 | 122.8° | 123.0° |
| C1 | C2 | C3 | N | 37.9° | 37.4° |
| C2 | C1 | C | H4 | 119.0° | 119.0° |
| C2 | C1 | C | H5 | 119.0° | 119.0° |
| C2 | C1 | C | N | 42.1° | 1.2° |
| C2 | C1 | C | H2 | 76.9° | 118.1° |
| C2 | C1 | C | H3 | 161.2° | 120.7° |
| C2 | C1 | H4 | H5 | 122.8° | 122.2° |
| C1 | C2 | H18 | H19 | 122.5° | 123.3° |
| C1 | C2 | C3 | H31 | 81.1° | 155.9° |
| C1 | C2 | C3 | H32 | 157.0° | 81.0° |
| C6 | C5 | S | C7 | 1.8° | 0.0° |
| C6 | C5 | S | C4 | 170.2° | 179.8° |
| C6 | C5 | C4 | N | 93.0° | 174.8° |
| C6 | C5 | C4 | C25 | 31.3° | 65.2° |
| C6 | C5 | C4 | C21 | 148.0° | 54.8° |
| C17 | C18 | C19 | C20 | 179.4° | 179.9° |
| C17 | C18 | C19 | H17 | 180.0° | 180.0° |
| C7 | S | C5 | C4 | 168.4° | 179.8° |
| C3 | N | C | C1 | 16.1° | 25.3° |
| C3 | N | C4 | C5 | 48.3° | 62.6° |
| C3 | N | C | C4 | 125.4° | 120.5° |
| C3 | N | C4 | C25 | 70.3° | 57.5° |
| C3 | N | C4 | C21 | 161.9° | 177.5° |
| C3 | N | C | H2 | 103.0° | 94.1° |
| C3 | N | C | H3 | 135.2° | 144.9° |
| N | C3 | C2 | H18 | 81.2° | 155.7° |
| N | C3 | C2 | H19 | 157.0° | 80.9° |
| N | C3 | H31 | H32 | 122.8° | 123.1° |
| C20 | C19 | C18 | H17 | 0.6° | 0.1° |
| C19 | C18 | C17 | H16 | 179.4° | 179.9° |
| C18 | C19 | C20 | H20 | 3.1° | 0.0° |
| C1 | C | N | H2 | 119.1° | 119.4° |
| C1 | C | N | H3 | 119.1° | 119.6° |
| C1 | C | N | C4 | 109.3° | 145.8° |
| C1 | C | H2 | H3 | 122.7° | 121.4° |
| C | C1 | H4 | H5 | 122.8° | 122.0° |
| C | C1 | C2 | H18 | 70.9° | 140.3° |
| C | C1 | C2 | H19 | 167.4° | 96.4° |
| S | C5 | C4 | N | 98.6° | 5.0° |
| S | C5 | C4 | C25 | 137.1° | 115.0° |
| S | C5 | C4 | C21 | 20.3° | 125.0° |
| S | C5 | C6 | H33 | 178.4° | 180.0° |
| C5 | C4 | N | C | 68.8° | 54.8° |
| C5 | C4 | N | C25 | 118.6° | 120.0° |
| C5 | C4 | N | C21 | 113.6° | 120.0° |
| C5 | C4 | C25 | C21 | 110.3° | 120.0° |
| C5 | C4 | C25 | C24 | 141.5° | 180.0° |
| C5 | C4 | C21 | C22 | 147.9° | 180.0° |
| C5 | C4 | C21 | H21 | 91.3° | 60.0° |
| C5 | C4 | C21 | H22 | 27.2° | 60.0° |
| C5 | C4 | C25 | H29 | 20.4° | 60.0° |
| C5 | C4 | C25 | H30 | 97.3° | 60.0° |
| C4 | C5 | C6 | H33 | 11.8° | 0.3° |
| C | N | C4 | C25 | 172.7° | 174.9° |
| C | N | C4 | C21 | 44.8° | 65.1° |
| N | C | H2 | H3 | 122.7° | 121.1° |
| N | C | C1 | H4 | 161.2° | 120.2° |
| N | C | C1 | H5 | 76.9° | 117.8° |
| C | N | C3 | H31 | 109.3° | 157.6° |
| C | N | C3 | H32 | 128.8° | 79.2° |
| N | C4 | C25 | C21 | 127.6° | 120.0° |
| N | C4 | C25 | C24 | 96.3° | 60.0° |
| N | C4 | C21 | C22 | 93.2° | 60.0° |
| C4 | N | C | H2 | 131.7° | 26.5° |
| C4 | N | C | H3 | 9.8° | 94.6° |
| N | C4 | C21 | H21 | 27.6° | 180.0° |
| N | C4 | C21 | H22 | 146.1° | 59.9° |
| N | C4 | C25 | H29 | 142.5° | 60.0° |
| N | C4 | C25 | H30 | 24.8° | 180.0° |
| C4 | N | C3 | H31 | 12.3° | 81.8° |
| C4 | N | C3 | H32 | 109.6° | 41.3° |
| C4 | C25 | C24 | H29 | 121.1° | 120.0° |
| C4 | C25 | C24 | H30 | 121.1° | 120.0° |
| C4 | C25 | C24 | C23 | 43.9° | 60.0° |
| C25 | C4 | C21 | C22 | 36.3° | 60.0° |
| C25 | C4 | C21 | H21 | 157.0° | 60.0° |
| C25 | C4 | C21 | H22 | 84.5° | 180.0° |
| C4 | C25 | C24 | H27 | 164.2° | 60.0° |
| C4 | C25 | C24 | H28 | 76.5° | 180.0° |
| C4 | C25 | H29 | H30 | 116.4° | 120.0° |
| C24 | C25 | C4 | C21 | 31.3° | 60.0° |
| C25 | C24 | C23 | H27 | 120.3° | 120.0° |
| C25 | C24 | C23 | H28 | 120.4° | 120.0° |
| C25 | C24 | C23 | C22 | 60.5° | 60.0° |
| C25 | C24 | C23 | H25 | 59.4° | 180.0° |
| C25 | C24 | C23 | H26 | 179.5° | 60.0° |
| C25 | C24 | H27 | H28 | 119.0° | 120.1° |
| C24 | C25 | H29 | H30 | 116.4° | 120.0° |
| C4 | C21 | C22 | H21 | 120.7° | 120.0° |
| C4 | C21 | C22 | H22 | 120.7° | 120.0° |
| C4 | C21 | C22 | C23 | 55.0° | 60.0° |
| C4 | C21 | H21 | H22 | 117.8° | 120.0° |
| C4 | C21 | C22 | H23 | 65.2° | 60.0° |
| C4 | C21 | C22 | H24 | 175.2° | 180.0° |
| C21 | C4 | C25 | H29 | 89.9° | 180.0° |
| C21 | C4 | C25 | H30 | 152.4° | 60.0° |
| C24 | C23 | C22 | C21 | 66.8° | 60.0° |
| C24 | C23 | C22 | H25 | 120.0° | 120.0° |
| C24 | C23 | C22 | H26 | 120.0° | 120.0° |
| C24 | C23 | C22 | H23 | 53.4° | 60.0° |
| C24 | C23 | C22 | H24 | 173.0° | 180.0° |
| C24 | C23 | H25 | H26 | 120.1° | 120.0° |
| C23 | C24 | H27 | H28 | 119.0° | 120.0° |
| C23 | C24 | C25 | H29 | 77.2° | 180.0° |
| C23 | C24 | C25 | H30 | 165.0° | 60.0° |
| C21 | C22 | C23 | H23 | 120.2° | 120.0° |
| C21 | C22 | C23 | H24 | 120.2° | 120.0° |
| C22 | C21 | H21 | H22 | 117.8° | 120.0° |
| C21 | C22 | H23 | H24 | 119.4° | 119.9° |
| C21 | C22 | C23 | H25 | 53.1° | 180.0° |
| C21 | C22 | C23 | H26 | 173.2° | 60.0° |
| C23 | C22 | C21 | H21 | 175.7° | 60.0° |
| C23 | C22 | C21 | H22 | 65.7° | 180.0° |
| C23 | C22 | H23 | H24 | 119.4° | 120.0° |
| C22 | C23 | H25 | H26 | 120.1° | 120.0° |
| C22 | C23 | C24 | H27 | 179.2° | 60.0° |
| C22 | C23 | C24 | H28 | 59.8° | 180.0° |
| H2 | C | C1 | H4 | 42.1° | 0.8° |
| H2 | C | C1 | H5 | 164.1° | 122.9° |
| H3 | C | C1 | H4 | 79.8° | 120.4° |
| H3 | C | C1 | H5 | 42.2° | 1.7° |
| H4 | C1 | C2 | H18 | 48.2° | 21.4° |
| H4 | C1 | C2 | H19 | 73.5° | 144.7° |
| H5 | C1 | C2 | H18 | 170.1° | 100.7° |
| H5 | C1 | C2 | H19 | 48.4° | 22.6° |
| H6 | C10 | C9 | H34 | 0.0° | 0.3° |
| H7 | C12 | C13 | H9 | 142.3° | 67.3° |
| H8 | C12 | C13 | H9 | 21.9° | 172.7° |
| H9 | C13 | C14 | H10 | 172.9° | 146.1° |
| H9 | C13 | C14 | H11 | 50.5° | 24.0° |
| H9 | C13 | N3 | H35 | 172.4° | 161.2° |
| H10 | C14 | C15 | H12 | 152.2° | 0.1° |
| H10 | C14 | C15 | H13 | 30.0° | 122.1° |
| H11 | C14 | C15 | H12 | 29.8° | 122.1° |
| H11 | C14 | C15 | H13 | 92.5° | 0.0° |
| H12 | C15 | C16 | H14 | 2.6° | 23.7° |
| H12 | C15 | C16 | H15 | 124.1° | 146.1° |
| H13 | C15 | C16 | H14 | 119.6° | 98.4° |
| H13 | C15 | C16 | H15 | 1.9° | 23.9° |
| H14 | C16 | N3 | H35 | 150.5° | 38.7° |
| H15 | C16 | N3 | H35 | 28.9° | 161.1° |
| H16 | C17 | C18 | H17 | 0.6° | 0.1° |
| H18 | C2 | C3 | H31 | 159.7° | 85.8° |
| H18 | C2 | C3 | H32 | 37.8° | 37.3° |
| H19 | C2 | C3 | H31 | 38.0° | 37.5° |
| H19 | C2 | C3 | H32 | 83.9° | 160.6° |
| H21 | C21 | C22 | H23 | 55.5° | 179.9° |
| H21 | C21 | C22 | H24 | 64.1° | 60.0° |
| H22 | C21 | C22 | H23 | 174.1° | 59.9° |
| H22 | C21 | C22 | H24 | 54.5° | 60.0° |
| H23 | C22 | C23 | H25 | 173.3° | 60.0° |
| H23 | C22 | C23 | H26 | 66.6° | 180.0° |
| H24 | C22 | C23 | H25 | 67.0° | 60.0° |
| H24 | C22 | C23 | H26 | 53.0° | 60.0° |
| H25 | C23 | C24 | H27 | 60.9° | 60.0° |
| H25 | C23 | C24 | H28 | 179.8° | 60.0° |
| H26 | C23 | C24 | H27 | 59.2° | 180.0° |
| H26 | C23 | C24 | H28 | 60.1° | 60.0° |
| H27 | C24 | C25 | H29 | 43.1° | 60.0° |
| H27 | C24 | C25 | H30 | 74.6° | 180.0° |
| H28 | C24 | C25 | H29 | 162.4° | 60.0° |
| H28 | C24 | C25 | H30 | 44.7° | 59.9° |
