N9O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C22 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| C22 | C23 | sing | 1.39Å | 1.39Å | Aromatic |
| C21 | C19 | sing | 1.39Å | 1.38Å | Aromatic |
| O1 | C20 | doub | 1.22Å | 1.21Å | |
| C24 | N4 | sing | 1.47Å | 1.46Å | |
| C23 | N4 | sing | 1.38Å | 1.46Å | |
| C23 | C17 | doub | 1.42Å | 1.44Å | Aromatic |
| N4 | C25 | sing | 1.47Å | 1.46Å | |
| C19 | C20 | sing | 1.47Å | 1.48Å | |
| C19 | C18 | doub | 1.41Å | 1.42Å | Aromatic |
| C20 | N3 | sing | 1.35Å | 1.40Å | |
| C17 | C18 | sing | 1.41Å | 1.42Å | Aromatic |
| C17 | C16 | sing | 1.40Å | 1.43Å | Aromatic |
| C18 | C13 | sing | 1.41Å | 1.42Å | Aromatic |
| N3 | C11 | sing | 1.47Å | 1.48Å | |
| N3 | C12 | sing | 1.35Å | 1.40Å | |
| C11 | C10 | sing | 1.53Å | 1.50Å | |
| O3 | C9 | doub | 1.21Å | 1.24Å | |
| C10 | N2 | sing | 1.46Å | 1.46Å | |
| C9 | N2 | sing | 1.35Å | 1.33Å | |
| C9 | C8 | sing | 1.51Å | 1.50Å | |
| C16 | C15 | doub | 1.38Å | 1.36Å | Aromatic |
| C13 | C12 | sing | 1.47Å | 1.48Å | |
| C13 | C14 | doub | 1.39Å | 1.38Å | Aromatic |
| C12 | O2 | doub | 1.22Å | 1.22Å | |
| C8 | C7 | sing | 1.53Å | 1.52Å | |
| C7 | C6 | sing | 1.53Å | 1.57Å | |
| C15 | C14 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| C5 | C4 | sing | 1.53Å | 1.52Å | |
| C4 | C1 | sing | 1.54Å | 1.54Å | |
| C4 | S | sing | 1.84Å | 1.84Å | |
| N | C1 | sing | 1.47Å | 1.46Å | |
| N | C | sing | 1.34Å | 1.37Å | |
| C1 | C2 | sing | 1.53Å | 1.57Å | |
| S | C3 | sing | 1.84Å | 1.79Å | |
| C | O | doub | 1.22Å | 1.24Å | |
| C | N1 | sing | 1.34Å | 1.37Å | |
| C2 | C3 | sing | 1.54Å | 1.52Å | |
| C2 | N1 | sing | 1.47Å | 1.46Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| N2 | H6 | sing | 0.97Å | 1.00Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C4 | H12 | sing | 1.09Å | 1.10Å | |
| C3 | H13 | sing | 1.09Å | 1.10Å | |
| C3 | H14 | sing | 1.09Å | 1.10Å | |
| C2 | H15 | sing | 1.09Å | 1.10Å | |
| N | H16 | sing | 0.97Å | 1.00Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C10 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C11 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C25 | H23 | sing | 1.09Å | 1.10Å | |
| 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 | |
| C24 | H28 | sing | 1.09Å | 1.10Å | |
| C16 | H29 | sing | 1.08Å | 1.08Å | |
| C15 | H30 | sing | 1.08Å | 1.08Å | |
| C14 | H31 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C21 | C22 | C23 | 120.9° | 121.3° |
| C22 | C21 | C19 | 121.0° | 120.4° |
| C22 | C21 | H21 | 119.5° | 119.8° |
| C21 | C22 | H22 | 119.5° | 119.3° |
| C22 | C23 | N4 | 121.6° | 120.2° |
| C22 | C23 | C17 | 119.8° | 119.7° |
| C23 | C22 | H22 | 119.5° | 119.3° |
| C21 | C19 | C20 | 119.7° | 122.0° |
| C21 | C19 | C18 | 120.1° | 119.3° |
| C19 | C21 | H21 | 119.5° | 119.8° |
| O1 | C20 | C19 | 122.5° | 119.7° |
| O1 | C20 | N3 | 120.3° | 119.8° |
| C24 | N4 | C23 | 121.2° | 111.0° |
| C24 | N4 | C25 | 121.9° | 111.0° |
| N4 | C24 | H26 | 109.5° | 109.5° |
| N4 | C24 | H27 | 109.5° | 109.4° |
| N4 | C24 | H28 | 109.5° | 109.5° |
| N4 | C23 | C17 | 118.2° | 120.1° |
| C23 | N4 | C25 | 115.5° | 111.0° |
| C23 | C17 | C18 | 118.5° | 118.9° |
| C23 | C17 | C16 | 123.6° | 122.0° |
| N4 | C25 | H23 | 109.5° | 109.4° |
| N4 | C25 | H24 | 109.5° | 109.5° |
| N4 | C25 | H25 | 109.5° | 109.5° |
| C20 | C19 | C18 | 120.0° | 118.7° |
| C19 | C20 | N3 | 117.1° | 120.5° |
| C19 | C18 | C17 | 119.6° | 120.4° |
| C19 | C18 | C13 | 120.7° | 119.4° |
| C20 | N3 | C11 | 117.1° | 118.8° |
| C20 | N3 | C12 | 125.0° | 122.4° |
| C18 | C17 | C16 | 117.8° | 119.1° |
| C17 | C18 | C13 | 119.5° | 120.2° |
| C17 | C16 | C15 | 121.1° | 120.0° |
| C17 | C16 | H29 | 119.4° | 120.0° |
| C18 | C13 | C12 | 120.0° | 118.7° |
| C18 | C13 | C14 | 120.0° | 119.2° |
| C11 | N3 | C12 | 117.4° | 118.8° |
| N3 | C11 | C10 | 109.6° | 109.5° |
| N3 | C11 | H19 | 109.5° | 109.4° |
| N3 | C11 | H20 | 109.5° | 109.5° |
| N3 | C12 | C13 | 117.0° | 120.3° |
| N3 | C12 | O2 | 120.3° | 119.8° |
| C11 | C10 | N2 | 114.4° | 109.5° |
| C11 | C10 | H17 | 108.2° | 109.5° |
| C11 | C10 | H18 | 108.2° | 109.5° |
| C10 | C11 | H19 | 109.5° | 109.4° |
| C10 | C11 | H20 | 109.4° | 109.5° |
| O3 | C9 | N2 | 123.1° | 120.0° |
| O3 | C9 | C8 | 120.3° | 120.0° |
| C10 | N2 | C9 | 121.2° | 120.0° |
| C10 | N2 | H6 | 119.4° | 120.0° |
| N2 | C10 | H17 | 108.2° | 109.5° |
| N2 | C10 | H18 | 108.2° | 109.5° |
| N2 | C9 | C8 | 116.5° | 120.0° |
| C9 | N2 | H6 | 119.4° | 120.0° |
| C9 | C8 | C7 | 111.1° | 109.5° |
| C9 | C8 | H4 | 109.1° | 109.5° |
| C9 | C8 | H5 | 109.1° | 109.5° |
| C16 | C15 | C14 | 121.0° | 121.4° |
| C15 | C16 | H29 | 119.4° | 120.0° |
| C16 | C15 | H30 | 119.5° | 119.3° |
| C12 | C13 | C14 | 119.7° | 122.1° |
| C13 | C12 | O2 | 122.6° | 119.9° |
| C13 | C14 | C15 | 120.5° | 120.1° |
| C13 | C14 | H31 | 119.8° | 119.9° |
| C8 | C7 | C6 | 113.8° | 109.5° |
| C8 | C7 | H2 | 108.4° | 109.5° |
| C8 | C7 | H3 | 108.4° | 109.4° |
| C7 | C8 | H4 | 109.0° | 109.4° |
| C7 | C8 | H5 | 109.1° | 109.5° |
| C7 | C6 | C5 | 109.4° | 109.5° |
| C6 | C7 | H2 | 108.4° | 109.5° |
| C6 | C7 | H3 | 108.4° | 109.5° |
| C7 | C6 | H10 | 109.5° | 109.5° |
| C7 | C6 | H11 | 109.5° | 109.5° |
| C14 | C15 | H30 | 119.5° | 119.3° |
| C15 | C14 | H31 | 119.7° | 120.0° |
| C6 | C5 | C4 | 115.9° | 109.5° |
| C6 | C5 | H8 | 107.8° | 109.4° |
| C6 | C5 | H9 | 107.8° | 109.5° |
| C5 | C6 | H10 | 109.5° | 109.4° |
| C5 | C6 | H11 | 109.5° | 109.5° |
| C5 | C4 | C1 | 117.0° | 110.8° |
| C5 | C4 | S | 105.9° | 110.8° |
| C4 | C5 | H8 | 107.8° | 109.5° |
| C4 | C5 | H9 | 107.8° | 109.5° |
| C5 | C4 | H12 | 109.4° | 110.7° |
| C1 | C4 | S | 108.9° | 102.7° |
| C4 | C1 | N | 115.2° | 109.4° |
| C4 | C1 | C2 | 106.1° | 112.4° |
| C4 | C1 | H7 | 110.5° | 110.2° |
| C1 | C4 | H12 | 109.1° | 110.7° |
| C4 | S | C3 | 86.9° | 94.9° |
| S | C4 | H12 | 105.9° | 110.9° |
| C1 | N | C | 112.7° | 109.0° |
| N | C1 | C2 | 102.8° | 104.1° |
| N | C1 | H7 | 111.7° | 110.4° |
| C1 | N | H16 | 123.7° | 125.5° |
| N | C | O | 125.2° | 123.0° |
| N | C | N1 | 108.6° | 113.9° |
| C | N | H16 | 123.7° | 125.4° |
| C1 | C2 | C3 | 109.1° | 112.4° |
| C1 | C2 | N1 | 103.1° | 104.0° |
| C2 | C1 | H7 | 110.1° | 110.3° |
| C1 | C2 | H15 | 109.3° | 110.3° |
| S | C3 | C2 | 110.5° | 102.9° |
| S | C3 | H13 | 109.2° | 110.3° |
| S | C3 | H14 | 109.2° | 111.2° |
| O | C | N1 | 126.0° | 123.1° |
| C | N1 | C2 | 112.5° | 109.1° |
| C | N1 | H1 | 123.7° | 125.5° |
| C3 | C2 | N1 | 114.2° | 109.2° |
| C2 | C3 | H13 | 109.2° | 110.8° |
| C2 | C3 | H14 | 109.2° | 110.8° |
| C3 | C2 | H15 | 110.0° | 110.5° |
| C2 | N1 | H1 | 123.8° | 125.5° |
| N1 | C2 | H15 | 110.9° | 110.3° |
| H2 | C7 | H3 | 109.5° | 109.5° |
| H4 | C8 | H5 | 109.4° | 109.5° |
| H8 | C5 | H9 | 109.5° | 109.5° |
| H10 | C6 | H11 | 109.5° | 109.5° |
| H13 | C3 | H14 | 109.5° | 110.7° |
| H17 | C10 | H18 | 109.5° | 109.4° |
| H19 | C11 | H20 | 109.4° | 109.5° |
| H23 | C25 | H24 | 109.5° | 109.5° |
| H23 | C25 | H25 | 109.5° | 109.5° |
| H24 | C25 | H25 | 109.5° | 109.4° |
| H26 | C24 | H27 | 109.5° | 109.5° |
| H26 | C24 | H28 | 109.5° | 109.5° |
| H27 | C24 | H28 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C21 | C22 | C23 | H22 | 180.0° | 179.9° |
| C22 | C21 | C19 | H21 | 180.0° | 180.0° |
| C21 | C22 | C23 | N4 | 171.4° | 180.0° |
| C21 | C22 | C23 | C17 | 1.3° | 0.0° |
| C22 | C21 | C19 | C20 | 175.1° | 180.0° |
| C22 | C21 | C19 | C18 | 0.1° | 0.0° |
| C23 | C22 | C21 | C19 | 0.1° | 0.0° |
| C22 | C23 | N4 | C24 | 58.5° | 63.9° |
| C22 | C23 | N4 | C17 | 172.8° | 180.0° |
| C22 | C23 | N4 | C25 | 108.0° | 60.0° |
| C22 | C23 | C17 | C18 | 2.5° | 0.0° |
| C22 | C23 | C17 | C16 | 177.3° | 180.0° |
| C23 | C22 | C21 | H21 | 179.9° | 180.0° |
| C21 | C19 | C20 | O1 | 9.3° | 0.0° |
| C21 | C19 | C20 | C18 | 175.0° | 180.0° |
| C21 | C19 | C20 | N3 | 171.7° | 180.0° |
| C21 | C19 | C18 | C17 | 1.3° | 0.0° |
| C21 | C19 | C18 | C13 | 173.5° | 180.0° |
| C19 | C21 | C22 | H22 | 179.9° | 179.9° |
| O1 | C20 | C19 | N3 | 178.9° | 180.0° |
| O1 | C20 | C19 | C18 | 175.7° | 180.0° |
| O1 | C20 | N3 | C11 | 14.0° | 0.0° |
| O1 | C20 | N3 | C12 | 174.8° | 179.7° |
| C24 | N4 | C23 | C25 | 166.5° | 123.9° |
| C24 | N4 | C23 | C17 | 128.7° | 116.1° |
| C24 | N4 | C25 | H23 | 180.0° | 64.0° |
| C24 | N4 | C25 | H24 | 60.0° | 56.1° |
| C24 | N4 | C25 | H25 | 60.0° | 176.0° |
| N4 | C24 | H26 | H27 | 120.0° | 120.0° |
| N4 | C24 | H26 | H28 | 120.0° | 120.0° |
| N4 | C24 | H27 | H28 | 120.0° | 120.0° |
| N4 | C23 | C17 | C18 | 170.4° | 180.0° |
| N4 | C23 | C17 | C16 | 4.4° | 0.1° |
| N4 | C23 | C22 | H22 | 8.7° | 0.1° |
| C23 | N4 | C25 | H23 | 13.6° | 60.0° |
| C23 | N4 | C25 | H24 | 106.4° | 180.0° |
| C23 | N4 | C25 | H25 | 133.6° | 60.0° |
| C23 | N4 | C24 | H26 | 180.0° | 60.0° |
| C23 | N4 | C24 | H27 | 60.0° | 60.0° |
| C23 | N4 | C24 | H28 | 60.0° | 180.0° |
| C17 | C23 | N4 | C25 | 64.8° | 120.0° |
| C23 | C17 | C18 | C19 | 2.5° | 0.0° |
| C23 | C17 | C18 | C16 | 175.1° | 179.9° |
| C23 | C17 | C18 | C13 | 172.4° | 179.9° |
| C23 | C17 | C16 | C15 | 169.6° | 180.0° |
| C17 | C23 | C22 | H22 | 178.7° | 179.9° |
| C23 | C17 | C16 | H29 | 10.4° | 0.0° |
| N4 | C25 | H23 | H24 | 120.0° | 120.1° |
| N4 | C25 | H23 | H25 | 120.0° | 120.0° |
| N4 | C25 | H24 | H25 | 120.0° | 120.0° |
| C25 | N4 | C24 | H26 | 14.3° | 64.0° |
| C25 | N4 | C24 | H27 | 105.6° | 176.0° |
| C25 | N4 | C24 | H28 | 134.3° | 56.0° |
| C20 | C19 | C18 | C17 | 176.3° | 180.0° |
| C20 | C19 | C18 | C13 | 1.5° | 0.1° |
| C19 | C20 | N3 | C11 | 167.1° | 180.0° |
| C19 | C20 | N3 | C12 | 4.2° | 0.3° |
| C20 | C19 | C21 | H21 | 4.9° | 0.0° |
| C18 | C19 | C20 | N3 | 3.3° | 0.0° |
| C19 | C18 | C17 | C13 | 174.9° | 180.0° |
| C19 | C18 | C17 | C16 | 177.6° | 180.0° |
| C19 | C18 | C13 | C12 | 0.4° | 0.2° |
| C19 | C18 | C13 | C14 | 173.6° | 180.0° |
| C18 | C19 | C21 | H21 | 179.9° | 180.0° |
| C20 | N3 | C11 | C12 | 172.0° | 179.7° |
| C20 | N3 | C11 | C10 | 107.9° | 89.7° |
| C20 | N3 | C12 | C13 | 3.1° | 0.5° |
| C20 | N3 | C12 | O2 | 179.9° | 179.7° |
| C20 | N3 | C11 | H19 | 12.1° | 30.2° |
| C20 | N3 | C11 | H20 | 132.1° | 150.2° |
| C18 | C17 | C16 | C15 | 5.2° | 0.1° |
| C17 | C18 | C13 | C12 | 175.2° | 179.8° |
| C17 | C18 | C13 | C14 | 1.2° | 0.0° |
| C18 | C17 | C16 | H29 | 174.7° | 180.0° |
| C16 | C17 | C18 | C13 | 2.8° | 0.0° |
| C17 | C16 | C15 | H29 | 180.0° | 180.0° |
| C17 | C16 | C15 | C14 | 3.7° | 0.1° |
| C17 | C16 | C15 | H30 | 176.3° | 179.9° |
| C18 | C13 | C12 | N3 | 1.1° | 0.5° |
| C18 | C13 | C12 | C14 | 174.0° | 179.8° |
| C18 | C13 | C12 | O2 | 177.7° | 179.8° |
| C18 | C13 | C14 | C15 | 3.0° | 0.0° |
| C18 | C13 | C14 | H31 | 177.0° | 180.0° |
| N3 | C11 | C10 | H19 | 120.0° | 119.9° |
| N3 | C11 | C10 | H20 | 120.0° | 120.1° |
| N3 | C11 | C10 | N2 | 166.8° | 180.0° |
| C11 | N3 | C12 | C13 | 168.1° | 179.8° |
| C11 | N3 | C12 | O2 | 8.6° | 0.0° |
| N3 | C11 | C10 | H17 | 46.1° | 59.9° |
| N3 | C11 | C10 | H18 | 72.5° | 60.0° |
| N3 | C11 | H19 | H20 | 120.0° | 120.0° |
| C12 | N3 | C11 | C10 | 80.1° | 90.0° |
| N3 | C12 | C13 | O2 | 176.7° | 179.8° |
| N3 | C12 | C13 | C14 | 172.9° | 179.7° |
| C12 | N3 | C11 | H19 | 159.9° | 150.0° |
| C12 | N3 | C11 | H20 | 39.9° | 30.0° |
| C11 | C10 | N2 | H17 | 120.7° | 120.1° |
| C11 | C10 | N2 | H18 | 120.7° | 120.0° |
| C11 | C10 | N2 | C9 | 165.5° | 180.0° |
| C11 | C10 | N2 | H6 | 14.5° | 0.1° |
| C11 | C10 | H17 | H18 | 117.8° | 120.0° |
| C10 | C11 | H19 | H20 | 119.9° | 120.0° |
| O3 | C9 | N2 | C10 | 11.5° | 0.1° |
| O3 | C9 | N2 | C8 | 177.6° | 180.0° |
| O3 | C9 | C8 | C7 | 35.0° | 0.0° |
| O3 | C9 | C8 | H4 | 85.2° | 120.0° |
| O3 | C9 | C8 | H5 | 155.3° | 120.0° |
| O3 | C9 | N2 | H6 | 168.5° | 180.0° |
| C10 | N2 | C9 | H6 | 180.0° | 179.9° |
| C10 | N2 | C9 | C8 | 166.1° | 180.0° |
| N2 | C10 | H17 | H18 | 117.7° | 120.0° |
| N2 | C10 | C11 | H19 | 73.2° | 60.1° |
| N2 | C10 | C11 | H20 | 46.7° | 59.9° |
| N2 | C9 | C8 | C7 | 142.6° | 180.0° |
| N2 | C9 | C8 | H4 | 97.1° | 60.0° |
| N2 | C9 | C8 | H5 | 22.3° | 60.0° |
| C9 | N2 | C10 | H17 | 73.8° | 59.9° |
| C9 | N2 | C10 | H18 | 44.8° | 60.0° |
| C9 | C8 | C7 | H4 | 120.3° | 120.0° |
| C9 | C8 | C7 | H5 | 120.3° | 120.0° |
| C9 | C8 | C7 | C6 | 74.7° | 180.0° |
| C9 | C8 | C7 | H2 | 46.0° | 60.0° |
| C9 | C8 | C7 | H3 | 164.7° | 60.0° |
| C9 | C8 | H4 | H5 | 119.2° | 120.0° |
| C8 | C9 | N2 | H6 | 14.0° | 0.1° |
| C16 | C15 | C14 | C13 | 0.6° | 0.0° |
| C16 | C15 | C14 | H30 | 180.0° | 179.9° |
| C16 | C15 | C14 | H31 | 179.4° | 179.9° |
| C12 | C13 | C14 | C15 | 177.0° | 179.8° |
| C12 | C13 | C14 | H31 | 3.0° | 0.2° |
| C14 | C13 | C12 | O2 | 3.7° | 0.0° |
| C13 | C14 | C15 | H31 | 180.0° | 180.0° |
| C13 | C14 | C15 | H30 | 179.4° | 179.9° |
| C8 | C7 | C6 | H2 | 120.6° | 120.0° |
| C8 | C7 | C6 | H3 | 120.7° | 120.0° |
| C8 | C7 | C6 | C5 | 172.2° | 179.9° |
| C8 | C7 | H2 | H3 | 118.0° | 120.0° |
| C7 | C8 | H4 | H5 | 119.2° | 120.0° |
| C8 | C7 | C6 | H10 | 67.8° | 60.0° |
| C8 | C7 | C6 | H11 | 52.3° | 60.0° |
| C7 | C6 | C5 | H10 | 120.0° | 120.0° |
| C7 | C6 | C5 | H11 | 120.0° | 120.0° |
| C7 | C6 | C5 | C4 | 173.0° | 180.0° |
| C6 | C7 | H2 | H3 | 118.0° | 120.0° |
| C6 | C7 | C8 | H4 | 165.1° | 60.0° |
| C6 | C7 | C8 | H5 | 45.6° | 60.0° |
| C7 | C6 | C5 | H8 | 52.1° | 60.0° |
| C7 | C6 | C5 | H9 | 66.0° | 60.0° |
| C7 | C6 | H10 | H11 | 120.1° | 120.0° |
| C14 | C15 | C16 | H29 | 176.3° | 179.9° |
| C6 | C5 | C4 | H8 | 120.9° | 119.9° |
| C6 | C5 | C4 | H9 | 120.9° | 120.1° |
| C6 | C5 | C4 | C1 | 177.7° | 175.0° |
| C6 | C5 | C4 | S | 60.7° | 71.7° |
| C5 | C6 | C7 | H2 | 51.6° | 60.0° |
| C5 | C6 | C7 | H3 | 67.1° | 60.0° |
| C6 | C5 | H8 | H9 | 117.0° | 120.0° |
| C5 | C6 | H10 | H11 | 120.0° | 120.0° |
| C6 | C5 | C4 | H12 | 53.0° | 51.7° |
| C5 | C4 | C1 | S | 120.0° | 118.3° |
| C5 | C4 | C1 | H12 | 124.8° | 123.2° |
| C5 | C4 | S | H12 | 116.1° | 123.4° |
| C5 | C4 | C1 | N | 38.4° | 27.9° |
| C5 | C4 | C1 | C2 | 151.4° | 142.9° |
| C5 | C4 | S | C3 | 166.4° | 152.8° |
| C5 | C4 | C1 | H7 | 89.3° | 93.6° |
| C4 | C5 | H8 | H9 | 117.1° | 120.0° |
| C4 | C5 | C6 | H10 | 67.0° | 60.0° |
| C4 | C5 | C6 | H11 | 53.0° | 59.9° |
| C1 | C4 | S | H12 | 117.3° | 118.4° |
| C4 | C1 | N | C2 | 114.8° | 120.3° |
| C4 | C1 | N | H7 | 127.1° | 121.4° |
| C4 | C1 | N | C | 118.0° | 120.3° |
| C4 | C1 | C2 | H7 | 119.5° | 123.4° |
| C1 | C4 | S | C3 | 39.7° | 34.5° |
| C4 | C1 | C2 | C3 | 4.6° | 0.4° |
| C4 | C1 | C2 | N1 | 126.4° | 118.3° |
| C1 | C4 | C5 | H8 | 56.7° | 55.0° |
| C1 | C4 | C5 | H9 | 61.4° | 65.0° |
| C4 | C1 | C2 | H15 | 115.7° | 123.4° |
| C4 | C1 | N | H16 | 62.0° | 59.7° |
| S | C4 | C1 | N | 81.6° | 90.4° |
| S | C4 | C1 | C2 | 31.4° | 24.6° |
| C4 | S | C3 | C2 | 36.9° | 34.3° |
| S | C4 | C1 | H7 | 150.7° | 148.1° |
| S | C4 | C5 | H8 | 178.3° | 168.3° |
| S | C4 | C5 | H9 | 60.2° | 48.3° |
| C4 | S | C3 | H13 | 157.1° | 83.9° |
| C4 | S | C3 | H14 | 83.2° | 152.9° |
| C1 | N | C | H16 | 180.0° | 179.9° |
| N | C1 | C2 | H7 | 119.2° | 118.3° |
| C1 | N | C | O | 175.1° | 180.0° |
| C1 | N | C | N1 | 0.3° | 0.2° |
| N | C1 | C2 | C3 | 116.7° | 117.9° |
| N | C1 | C2 | N1 | 5.1° | 0.1° |
| N | C1 | C4 | H12 | 163.2° | 151.1° |
| N | C1 | C2 | H15 | 123.1° | 118.3° |
| C | N | C1 | C2 | 3.2° | 0.0° |
| N | C | O | N1 | 174.6° | 179.8° |
| N | C | N1 | C2 | 4.1° | 0.3° |
| N | C | N1 | H1 | 175.9° | 179.9° |
| C | N | C1 | H7 | 114.9° | 118.3° |
| C1 | C2 | C3 | S | 24.8° | 24.2° |
| C1 | C2 | N1 | C | 5.8° | 0.2° |
| C1 | C2 | C3 | N1 | 114.8° | 114.9° |
| C1 | C2 | C3 | H15 | 119.9° | 123.7° |
| C1 | C2 | N1 | H15 | 116.8° | 118.2° |
| C1 | C2 | N1 | H1 | 174.2° | 179.9° |
| C2 | C1 | C4 | H12 | 83.8° | 93.8° |
| C1 | C2 | C3 | H13 | 145.0° | 93.7° |
| C1 | C2 | C3 | H14 | 95.3° | 143.1° |
| C2 | C1 | N | H16 | 176.8° | 179.9° |
| S | C3 | C2 | H13 | 120.2° | 117.9° |
| S | C3 | C2 | H14 | 120.1° | 118.9° |
| S | C3 | C2 | N1 | 89.9° | 90.7° |
| C3 | S | C4 | H12 | 77.6° | 83.9° |
| S | C3 | H13 | H14 | 119.5° | 123.5° |
| S | C3 | C2 | H15 | 144.7° | 147.8° |
| O | C | N1 | C2 | 171.2° | 179.9° |
| O | C | N1 | H1 | 8.8° | 0.0° |
| O | C | N | H16 | 4.9° | 0.1° |
| C | N1 | C2 | C3 | 112.5° | 120.0° |
| C | N1 | C2 | H1 | 180.0° | 179.8° |
| C | N1 | C2 | H15 | 122.7° | 118.5° |
| N1 | C | N | H16 | 179.7° | 179.9° |
| C3 | C2 | N1 | H15 | 124.9° | 121.6° |
| C3 | C2 | N1 | H1 | 67.6° | 59.9° |
| C3 | C2 | C1 | H7 | 124.2° | 123.8° |
| C2 | C3 | H13 | H14 | 119.5° | 123.3° |
| N1 | C2 | C1 | H7 | 114.1° | 118.2° |
| N1 | C2 | C3 | H13 | 30.2° | 151.4° |
| N1 | C2 | C3 | H14 | 149.9° | 28.2° |
| H1 | N1 | C2 | H15 | 57.3° | 61.7° |
| H2 | C7 | C8 | H4 | 74.3° | 60.0° |
| H2 | C7 | C8 | H5 | 166.3° | 180.0° |
| H2 | C7 | C6 | H10 | 171.6° | 180.0° |
| H2 | C7 | C6 | H11 | 68.4° | 60.0° |
| H3 | C7 | C8 | H4 | 44.4° | 180.0° |
| H3 | C7 | C8 | H5 | 75.0° | 60.0° |
| H3 | C7 | C6 | H10 | 52.9° | 60.0° |
| H3 | C7 | C6 | H11 | 172.9° | 179.9° |
| H6 | N2 | C10 | H17 | 106.3° | 120.0° |
| H6 | N2 | C10 | H18 | 135.2° | 120.1° |
| H7 | C1 | C4 | H12 | 35.5° | 29.6° |
| H7 | C1 | C2 | H15 | 3.9° | 0.0° |
| H7 | C1 | N | H16 | 65.1° | 61.8° |
| H8 | C5 | C6 | H10 | 172.1° | NaN° |
| H8 | C5 | C6 | H11 | 67.9° | 60.0° |
| H8 | C5 | C4 | H12 | 68.0° | 68.2° |
| H9 | C5 | C6 | H10 | 54.0° | 60.0° |
| H9 | C5 | C6 | H11 | 174.0° | 180.0° |
| H9 | C5 | C4 | H12 | 173.9° | 171.8° |
| H13 | C3 | C2 | H15 | 95.1° | 30.0° |
| H14 | C3 | C2 | H15 | 24.6° | 93.2° |
| H17 | C10 | C11 | H19 | 166.1° | 60.0° |
| H17 | C10 | C11 | H20 | 73.9° | 180.0° |
| H18 | C10 | C11 | H19 | 47.5° | 180.0° |
| H18 | C10 | C11 | H20 | 167.5° | 60.0° |
| H21 | C21 | C22 | H22 | 0.1° | 0.1° |
| H23 | C25 | H24 | H25 | 120.0° | 120.0° |
| H26 | C24 | H27 | H28 | 120.0° | 120.0° |
| H29 | C16 | C15 | H30 | 3.7° | 0.1° |
| H30 | C15 | C14 | H31 | 0.6° | 0.1° |
