TKB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | S | doub | 1.42Å | 1.43Å | |
| S | O1 | doub | 1.42Å | 1.43Å | |
| S | C5 | sing | 1.81Å | 1.75Å | |
| S | N2 | sing | 1.66Å | 1.63Å | |
| C6 | N2 | sing | 1.47Å | 1.47Å | |
| C6 | C7 | sing | 1.53Å | 1.51Å | |
| N2 | C4 | sing | 1.47Å | 1.48Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| C8 | C3 | sing | 1.53Å | 1.52Å | |
| C3 | N1 | sing | 1.47Å | 1.47Å | |
| O3 | C2 | doub | 1.21Å | 1.23Å | |
| N1 | C2 | sing | 1.35Å | 1.34Å | |
| C2 | C1 | sing | 1.51Å | 1.53Å | |
| C1 | N | sing | 1.47Å | 1.45Å | |
| C1 | C9 | sing | 1.53Å | 1.53Å | |
| C10 | C9 | sing | 1.53Å | 1.52Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C16 | C15 | sing | 1.53Å | 1.53Å | |
| C16 | C11 | sing | 1.53Å | 1.53Å | |
| N | C | sing | 1.35Å | 1.34Å | |
| C15 | C14 | sing | 1.53Å | 1.51Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C | O | doub | 1.22Å | 1.23Å | |
| C | C17 | sing | 1.48Å | 1.49Å | |
| C18 | C17 | doub | 1.40Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C13 | sing | 1.53Å | 1.52Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C17 | C20 | sing | 1.40Å | 1.39Å | Aromatic |
| C19 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C22 | C23 | sing | 1.51Å | 1.51Å | |
| O4 | C24 | doub | 1.22Å | 1.23Å | |
| C23 | N3 | sing | 1.46Å | 1.45Å | |
| N4 | C26 | sing | 1.38Å | 1.34Å | |
| C24 | N3 | sing | 1.35Å | 1.33Å | |
| C24 | C25 | sing | 1.47Å | 1.49Å | |
| C26 | C25 | doub | 1.39Å | 1.39Å | Aromatic |
| C26 | N5 | sing | 1.35Å | 1.34Å | Aromatic |
| C25 | C28 | sing | 1.41Å | 1.40Å | Aromatic |
| N5 | C27 | sing | 1.46Å | 1.46Å | |
| N5 | N6 | sing | 1.40Å | 1.36Å | Aromatic |
| C28 | N6 | doub | 1.30Å | 1.32Å | Aromatic |
| 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 | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C5 | H10 | sing | 1.09Å | 1.10Å | |
| C5 | H11 | sing | 1.09Å | 1.10Å | |
| C6 | H12 | sing | 1.09Å | 1.10Å | |
| C6 | H13 | sing | 1.09Å | 1.10Å | |
| N3 | H14 | sing | 0.97Å | 1.00Å | |
| C4 | H15 | sing | 1.09Å | 1.10Å | |
| C4 | H16 | sing | 1.09Å | 1.10Å | |
| C3 | H17 | sing | 1.09Å | 1.10Å | |
| N4 | H18 | sing | 0.97Å | 1.00Å | |
| N4 | H19 | sing | 0.97Å | 1.00Å | |
| C28 | H20 | sing | 1.08Å | 1.08Å | |
| C27 | H21 | sing | 1.09Å | 1.10Å | |
| C27 | H22 | sing | 1.09Å | 1.10Å | |
| C27 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| C23 | H25 | sing | 1.09Å | 1.10Å | |
| C19 | H26 | sing | 1.08Å | 1.08Å | |
| C18 | H27 | sing | 1.08Å | 1.08Å | |
| C21 | H28 | sing | 1.08Å | 1.08Å | |
| C20 | H29 | sing | 1.08Å | 1.08Å | |
| N | H30 | sing | 0.97Å | 1.00Å | |
| C10 | H31 | sing | 1.09Å | 1.10Å | |
| C10 | H32 | sing | 1.09Å | 1.10Å | |
| C11 | H33 | sing | 1.09Å | 1.10Å | |
| C16 | H34 | sing | 1.09Å | 1.10Å | |
| C16 | H35 | sing | 1.09Å | 1.10Å | |
| C15 | H36 | sing | 1.09Å | 1.10Å | |
| C15 | H37 | sing | 1.09Å | 1.10Å | |
| C14 | H38 | sing | 1.09Å | 1.10Å | |
| C14 | H39 | sing | 1.09Å | 1.10Å | |
| C13 | H40 | sing | 1.09Å | 1.10Å | |
| C13 | H41 | sing | 1.09Å | 1.10Å | |
| C12 | H42 | sing | 1.09Å | 1.10Å | |
| C12 | H43 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | S | O1 | 118.8° | 121.0° |
| O2 | S | C5 | 108.2° | 110.5° |
| O2 | S | N2 | 106.8° | 104.2° |
| O1 | S | C5 | 108.4° | 110.5° |
| O1 | S | N2 | 106.9° | 104.3° |
| C5 | S | N2 | 107.1° | 104.4° |
| S | C5 | H9 | 109.5° | 109.4° |
| S | C5 | H10 | 109.5° | 109.4° |
| S | C5 | H11 | 109.5° | 109.5° |
| S | N2 | C6 | 116.3° | 120.7° |
| S | N2 | C4 | 119.1° | 120.6° |
| N2 | C6 | C7 | 110.2° | 108.8° |
| C6 | N2 | C4 | 113.4° | 118.7° |
| N2 | C6 | H12 | 109.3° | 109.5° |
| N2 | C6 | H13 | 109.3° | 109.6° |
| C6 | C7 | C8 | 111.0° | 109.3° |
| C6 | C7 | H2 | 109.1° | 109.5° |
| C6 | C7 | H3 | 109.1° | 109.5° |
| C7 | C6 | H12 | 109.3° | 109.6° |
| C7 | C6 | H13 | 109.3° | 109.6° |
| N2 | C4 | C3 | 111.6° | 108.7° |
| N2 | C4 | H15 | 108.9° | 109.6° |
| N2 | C4 | H16 | 109.0° | 109.6° |
| C7 | C8 | C3 | 111.2° | 109.5° |
| C8 | C7 | H2 | 109.1° | 109.5° |
| C8 | C7 | H3 | 109.1° | 109.5° |
| C7 | C8 | H4 | 109.0° | 109.5° |
| C7 | C8 | H5 | 109.1° | 109.5° |
| C4 | C3 | C8 | 109.7° | 109.4° |
| C4 | C3 | N1 | 112.7° | 109.5° |
| C3 | C4 | H15 | 109.0° | 109.6° |
| C3 | C4 | H16 | 108.9° | 109.6° |
| C4 | C3 | H17 | 107.6° | 109.5° |
| C8 | C3 | N1 | 110.9° | 109.5° |
| C3 | C8 | H4 | 109.0° | 109.5° |
| C3 | C8 | H5 | 109.0° | 109.4° |
| C8 | C3 | H17 | 107.6° | 109.5° |
| C3 | N1 | C2 | 123.1° | 120.0° |
| C3 | N1 | H1 | 118.5° | 120.0° |
| N1 | C3 | H17 | 108.2° | 109.5° |
| O3 | C2 | N1 | 122.8° | 120.0° |
| O3 | C2 | C1 | 121.1° | 120.0° |
| N1 | C2 | C1 | 116.0° | 120.0° |
| C2 | N1 | H1 | 118.4° | 120.0° |
| C2 | C1 | N | 107.7° | 109.5° |
| C2 | C1 | C9 | 115.4° | 109.5° |
| C2 | C1 | H8 | 107.9° | 109.5° |
| N | C1 | C9 | 108.8° | 109.4° |
| C1 | N | C | 120.0° | 120.0° |
| N | C1 | H8 | 109.0° | 109.5° |
| C1 | N | H30 | 120.0° | 120.0° |
| C1 | C9 | C10 | 117.8° | 109.5° |
| C1 | C9 | H6 | 107.3° | 109.5° |
| C1 | C9 | H7 | 107.4° | 109.5° |
| C9 | C1 | H8 | 108.0° | 109.4° |
| C9 | C10 | C11 | 117.7° | 109.5° |
| C10 | C9 | H6 | 107.4° | 109.5° |
| C10 | C9 | H7 | 107.4° | 109.4° |
| C9 | C10 | H31 | 107.4° | 109.5° |
| C9 | C10 | H32 | 107.4° | 109.5° |
| C10 | C11 | C16 | 110.3° | 109.4° |
| C10 | C11 | C12 | 113.3° | 109.5° |
| C11 | C10 | H31 | 107.4° | 109.5° |
| C11 | C10 | H32 | 107.3° | 109.5° |
| C10 | C11 | H33 | 107.9° | 109.5° |
| C15 | C16 | C11 | 112.8° | 109.5° |
| C16 | C15 | C14 | 110.8° | 109.5° |
| C15 | C16 | H34 | 108.6° | 109.5° |
| C15 | C16 | H35 | 108.6° | 109.5° |
| C16 | C15 | H36 | 109.1° | 109.5° |
| C16 | C15 | H37 | 109.1° | 109.5° |
| C16 | C11 | C12 | 109.3° | 109.5° |
| C16 | C11 | H33 | 107.9° | 109.4° |
| C11 | C16 | H34 | 108.6° | 109.4° |
| C11 | C16 | H35 | 108.6° | 109.4° |
| N | C | O | 122.1° | 120.0° |
| N | C | C17 | 117.1° | 120.0° |
| C | N | H30 | 120.0° | 120.0° |
| C15 | C14 | C13 | 110.1° | 109.5° |
| C14 | C15 | H36 | 109.1° | 109.5° |
| C14 | C15 | H37 | 109.1° | 109.4° |
| C15 | C14 | H38 | 109.3° | 109.5° |
| C15 | C14 | H39 | 109.3° | 109.5° |
| C11 | C12 | C13 | 112.1° | 109.5° |
| C12 | C11 | H33 | 107.9° | 109.5° |
| C11 | C12 | H42 | 108.8° | 109.5° |
| C11 | C12 | H43 | 108.8° | 109.5° |
| O | C | C17 | 120.7° | 120.0° |
| C | C17 | C18 | 122.5° | 120.2° |
| C | C17 | C20 | 119.0° | 120.1° |
| C17 | C18 | C19 | 120.5° | 119.8° |
| C18 | C17 | C20 | 118.5° | 119.8° |
| C17 | C18 | H27 | 119.8° | 120.1° |
| C18 | C19 | C22 | 121.1° | 120.2° |
| C18 | C19 | H26 | 119.5° | 119.9° |
| C19 | C18 | H27 | 119.7° | 120.1° |
| C14 | C13 | C12 | 111.2° | 109.5° |
| C13 | C14 | H38 | 109.3° | 109.4° |
| C13 | C14 | H39 | 109.3° | 109.5° |
| C14 | C13 | H40 | 109.0° | 109.5° |
| C14 | C13 | H41 | 109.1° | 109.4° |
| C12 | C13 | H40 | 109.1° | 109.5° |
| C12 | C13 | H41 | 109.0° | 109.5° |
| C13 | C12 | H42 | 108.8° | 109.4° |
| C13 | C12 | H43 | 108.8° | 109.4° |
| C17 | C20 | C21 | 120.6° | 119.8° |
| C17 | C20 | H29 | 119.7° | 120.1° |
| C19 | C22 | C21 | 118.3° | 120.2° |
| C19 | C22 | C23 | 120.9° | 119.8° |
| C22 | C19 | H26 | 119.5° | 119.9° |
| C20 | C21 | C22 | 121.0° | 120.2° |
| C20 | C21 | H28 | 119.5° | 119.9° |
| C21 | C20 | H29 | 119.7° | 120.1° |
| C21 | C22 | C23 | 120.8° | 119.9° |
| C22 | C21 | H28 | 119.5° | 119.9° |
| C22 | C23 | N3 | 112.7° | 109.5° |
| C22 | C23 | H24 | 108.6° | 109.4° |
| C22 | C23 | H25 | 108.7° | 109.5° |
| O4 | C24 | N3 | 122.3° | 120.0° |
| O4 | C24 | C25 | 121.0° | 120.0° |
| C23 | N3 | C24 | 121.4° | 120.0° |
| C23 | N3 | H14 | 119.3° | 120.0° |
| N3 | C23 | H24 | 108.7° | 109.4° |
| N3 | C23 | H25 | 108.7° | 109.5° |
| N4 | C26 | C25 | 129.6° | 126.4° |
| N4 | C26 | N5 | 123.5° | 126.4° |
| C26 | N4 | H18 | 109.5° | 120.0° |
| C26 | N4 | H19 | 109.5° | 120.0° |
| N3 | C24 | C25 | 116.6° | 120.0° |
| C24 | N3 | H14 | 119.3° | 120.0° |
| C24 | C25 | C26 | 123.6° | 126.5° |
| C24 | C25 | C28 | 132.3° | 126.5° |
| C25 | C26 | N5 | 106.9° | 107.1° |
| C26 | C25 | C28 | 104.1° | 107.0° |
| C26 | N5 | C27 | 128.8° | 125.7° |
| C26 | N5 | N6 | 112.1° | 108.5° |
| C25 | C28 | N6 | 112.0° | 108.2° |
| C25 | C28 | H20 | 124.0° | 125.9° |
| C27 | N5 | N6 | 119.1° | 125.8° |
| N5 | C27 | H21 | 109.5° | 109.5° |
| N5 | C27 | H22 | 109.5° | 109.5° |
| N5 | C27 | H23 | 109.5° | 109.5° |
| N5 | N6 | C28 | 104.9° | 109.3° |
| N6 | C28 | H20 | 124.0° | 125.9° |
| H2 | C7 | H3 | 109.5° | 109.5° |
| H4 | C8 | H5 | 109.5° | 109.4° |
| H6 | C9 | H7 | 109.5° | 109.5° |
| H9 | C5 | H10 | 109.5° | 109.5° |
| H9 | C5 | H11 | 109.5° | 109.5° |
| H10 | C5 | H11 | 109.5° | 109.5° |
| H12 | C6 | H13 | 109.5° | 109.7° |
| H15 | C4 | H16 | 109.5° | 109.8° |
| H18 | N4 | H19 | 109.5° | 120.0° |
| H21 | C27 | H22 | 109.4° | 109.4° |
| H21 | C27 | H23 | 109.5° | 109.4° |
| H22 | C27 | H23 | 109.5° | 109.5° |
| H24 | C23 | H25 | 109.5° | 109.4° |
| H31 | C10 | H32 | 109.5° | 109.4° |
| H34 | C16 | H35 | 109.5° | 109.5° |
| H36 | C15 | H37 | 109.5° | 109.5° |
| H38 | C14 | H39 | 109.5° | 109.5° |
| H40 | C13 | H41 | 109.4° | 109.5° |
| H42 | C12 | H43 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | S | O1 | C5 | 123.9° | 131.5° |
| O2 | S | O1 | N2 | 120.9° | 116.7° |
| O2 | S | C5 | N2 | 114.9° | 111.6° |
| O2 | S | N2 | C6 | 25.7° | 26.0° |
| O2 | S | N2 | C4 | 167.2° | 153.9° |
| O2 | S | C5 | H9 | 180.0° | 171.6° |
| O2 | S | C5 | H10 | 60.0° | 51.6° |
| O2 | S | C5 | H11 | 60.0° | 68.4° |
| O1 | S | C5 | N2 | 115.1° | 111.7° |
| O1 | S | N2 | C6 | 153.9° | 153.9° |
| O1 | S | N2 | C4 | 64.7° | 26.1° |
| O1 | S | C5 | H9 | 49.9° | 51.7° |
| O1 | S | C5 | H10 | 70.0° | 171.7° |
| O1 | S | C5 | H11 | 169.9° | 68.4° |
| C5 | S | N2 | C6 | 90.1° | 90.0° |
| C5 | S | N2 | C4 | 51.4° | 90.0° |
| S | C5 | H9 | H10 | 120.0° | 120.0° |
| S | C5 | H9 | H11 | 120.0° | 120.0° |
| S | C5 | H10 | H11 | 120.0° | 120.0° |
| S | N2 | C6 | C4 | 143.7° | 180.0° |
| S | N2 | C6 | C7 | 164.5° | 126.4° |
| S | N2 | C4 | C3 | 136.0° | 126.4° |
| N2 | S | C5 | H9 | 65.1° | 60.0° |
| N2 | S | C5 | H10 | 174.9° | 60.0° |
| N2 | S | C5 | H11 | 54.9° | 180.0° |
| S | N2 | C6 | H12 | 75.4° | 113.8° |
| S | N2 | C6 | H13 | 44.3° | 6.5° |
| S | N2 | C4 | H15 | 103.7° | 113.8° |
| S | N2 | C4 | H16 | 15.7° | 6.7° |
| N2 | C6 | C7 | H12 | 120.1° | 119.8° |
| N2 | C6 | C7 | H13 | 120.1° | 119.8° |
| N2 | C6 | C7 | C8 | 58.8° | 54.6° |
| C6 | N2 | C4 | C3 | 6.6° | 53.6° |
| N2 | C6 | C7 | H2 | 179.0° | 174.6° |
| N2 | C6 | C7 | H3 | 61.4° | 65.3° |
| N2 | C6 | H12 | H13 | 119.7° | 120.3° |
| C6 | N2 | C4 | H15 | 113.8° | 66.2° |
| C6 | N2 | C4 | H16 | 126.9° | 173.3° |
| C7 | C6 | N2 | C4 | 51.9° | 53.6° |
| C6 | C7 | C8 | H2 | 120.2° | 120.0° |
| C6 | C7 | C8 | H3 | 120.2° | 119.9° |
| C6 | C7 | C8 | C3 | 6.6° | 61.3° |
| C6 | C7 | H2 | H3 | 119.3° | 120.1° |
| C6 | C7 | C8 | H4 | 113.6° | 178.6° |
| C6 | C7 | C8 | H5 | 126.9° | 58.6° |
| C7 | C6 | H12 | H13 | 119.7° | 120.4° |
| N2 | C4 | C3 | H15 | 120.3° | 119.8° |
| N2 | C4 | C3 | H16 | 120.3° | 119.7° |
| N2 | C4 | C3 | C8 | 58.6° | 54.6° |
| N2 | C4 | C3 | N1 | 177.3° | 174.6° |
| C4 | N2 | C6 | H12 | 68.2° | 66.2° |
| C4 | N2 | C6 | H13 | 172.0° | 173.4° |
| N2 | C4 | H15 | H16 | 119.1° | 120.4° |
| N2 | C4 | C3 | H17 | 58.1° | 65.4° |
| C7 | C8 | C3 | C4 | 50.3° | 61.4° |
| C7 | C8 | C3 | H4 | 120.2° | 120.1° |
| C7 | C8 | C3 | H5 | 120.3° | 120.0° |
| C7 | C8 | C3 | N1 | 175.4° | 178.7° |
| C8 | C7 | H2 | H3 | 119.3° | 120.0° |
| C7 | C8 | H4 | H5 | 119.2° | 120.0° |
| C8 | C7 | C6 | H12 | 61.3° | 65.2° |
| C8 | C7 | C6 | H13 | 178.9° | 174.4° |
| C7 | C8 | C3 | H17 | 66.5° | 58.6° |
| C4 | C3 | C8 | N1 | 125.1° | 120.0° |
| C4 | C3 | C8 | H17 | 116.7° | 120.0° |
| C4 | C3 | N1 | H17 | 118.8° | 120.1° |
| C4 | C3 | N1 | C2 | 87.3° | 155.2° |
| C4 | C3 | N1 | H1 | 92.7° | 25.2° |
| C4 | C3 | C8 | H4 | 170.5° | 178.6° |
| C4 | C3 | C8 | H5 | 70.0° | 58.6° |
| C3 | C4 | H15 | H16 | 119.0° | 120.4° |
| C8 | C3 | N1 | H17 | 117.8° | 120.1° |
| C8 | C3 | N1 | C2 | 149.3° | 85.0° |
| C8 | C3 | N1 | H1 | 30.7° | 94.7° |
| C3 | C8 | C7 | H2 | 126.8° | 178.7° |
| C3 | C8 | C7 | H3 | 113.6° | 58.6° |
| C3 | C8 | H4 | H5 | 119.2° | 119.9° |
| C8 | C3 | C4 | H15 | 61.7° | 65.1° |
| C8 | C3 | C4 | H16 | 179.0° | 174.4° |
| C3 | N1 | C2 | O3 | 10.3° | 0.3° |
| C3 | N1 | C2 | H1 | 180.0° | 179.7° |
| C3 | N1 | C2 | C1 | 171.4° | 179.7° |
| N1 | C3 | C8 | H4 | 64.4° | 58.6° |
| N1 | C3 | C8 | H5 | 55.1° | 61.3° |
| N1 | C3 | C4 | H15 | 62.4° | 54.8° |
| N1 | C3 | C4 | H16 | 57.0° | 65.7° |
| O3 | C2 | N1 | C1 | 178.3° | 180.0° |
| O3 | C2 | C1 | N | 111.5° | 0.1° |
| O3 | C2 | C1 | C9 | 10.3° | 120.0° |
| O3 | C2 | N1 | H1 | 169.7° | 180.0° |
| O3 | C2 | C1 | H8 | 131.0° | 120.0° |
| N1 | C2 | C1 | N | 66.8° | 180.0° |
| N1 | C2 | C1 | C9 | 171.4° | 60.0° |
| N1 | C2 | C1 | H8 | 50.6° | 59.9° |
| C2 | N1 | C3 | H17 | 31.5° | 35.1° |
| C2 | C1 | N | C9 | 125.7° | 120.0° |
| C2 | C1 | N | H8 | 116.8° | 120.1° |
| C2 | C1 | C9 | H8 | 120.7° | 120.1° |
| C2 | C1 | C9 | C10 | 72.0° | 175.0° |
| C2 | C1 | N | C | 145.6° | 155.0° |
| C1 | C2 | N1 | H1 | 8.6° | 0.1° |
| C2 | C1 | C9 | H6 | 166.8° | 65.0° |
| C2 | C1 | C9 | H7 | 49.2° | 55.0° |
| C2 | C1 | N | H30 | 34.4° | 24.9° |
| N | C1 | C9 | H8 | 118.1° | 120.0° |
| N | C1 | C9 | C10 | 166.8° | 65.0° |
| C1 | N | C | H30 | 180.0° | 179.9° |
| C1 | N | C | O | 2.5° | 0.1° |
| C1 | N | C | C17 | 177.9° | 180.0° |
| N | C1 | C9 | H6 | 45.7° | 55.0° |
| N | C1 | C9 | H7 | 72.0° | 175.0° |
| C1 | C9 | C10 | H6 | 121.2° | 120.0° |
| C1 | C9 | C10 | H7 | 121.2° | 120.0° |
| C1 | C9 | C10 | C11 | 57.2° | 180.0° |
| C9 | C1 | N | C | 88.7° | 85.0° |
| C1 | C9 | H6 | H7 | 116.2° | 120.0° |
| C9 | C1 | N | H30 | 91.3° | 95.0° |
| C1 | C9 | C10 | H31 | 178.4° | 59.9° |
| C1 | C9 | C10 | H32 | 64.0° | 60.0° |
| C9 | C10 | C11 | H31 | 121.2° | 120.1° |
| C9 | C10 | C11 | H32 | 121.2° | 120.0° |
| C9 | C10 | C11 | C16 | 177.3° | 65.0° |
| C9 | C10 | C11 | C12 | 59.8° | 175.0° |
| C10 | C9 | H6 | H7 | 116.3° | 119.9° |
| C10 | C9 | C1 | H8 | 48.7° | 55.0° |
| C9 | C10 | H31 | H32 | 116.3° | 119.9° |
| C9 | C10 | C11 | H33 | 59.7° | 55.0° |
| C10 | C11 | C16 | C15 | 179.3° | 179.9° |
| C10 | C11 | C16 | C12 | 125.2° | 120.0° |
| C10 | C11 | C16 | H33 | 117.6° | 120.0° |
| C10 | C11 | C12 | H33 | 119.4° | 120.1° |
| C10 | C11 | C12 | C13 | 177.3° | 180.0° |
| C11 | C10 | C9 | H6 | 64.0° | 60.0° |
| C11 | C10 | C9 | H7 | 178.4° | 60.0° |
| C11 | C10 | H31 | H32 | 116.3° | 120.0° |
| C10 | C11 | C16 | H34 | 60.2° | 60.1° |
| C10 | C11 | C16 | H35 | 58.8° | 60.0° |
| C10 | C11 | C12 | H42 | 62.3° | 60.0° |
| C10 | C11 | C12 | H43 | 56.9° | 60.0° |
| C15 | C16 | C11 | H34 | 120.5° | 120.0° |
| C15 | C16 | C11 | H35 | 120.5° | 120.0° |
| C16 | C15 | C14 | H36 | 120.2° | 120.0° |
| C16 | C15 | C14 | H37 | 120.2° | 120.0° |
| C15 | C16 | C11 | C12 | 54.1° | 60.0° |
| C16 | C15 | C14 | C13 | 56.7° | 60.0° |
| C15 | C16 | C11 | H33 | 63.0° | 60.0° |
| C15 | C16 | H34 | H35 | 118.5° | 120.0° |
| C16 | C15 | H36 | H37 | 119.4° | 120.0° |
| C16 | C15 | C14 | H38 | 63.3° | 60.0° |
| C16 | C15 | C14 | H39 | 176.8° | 180.0° |
| C11 | C16 | C15 | C14 | 56.6° | 60.0° |
| C16 | C11 | C12 | H33 | 117.2° | 120.0° |
| C16 | C11 | C12 | C13 | 53.9° | 60.0° |
| C16 | C11 | C10 | H31 | 61.5° | 174.9° |
| C16 | C11 | C10 | H32 | 56.2° | 55.1° |
| C11 | C16 | H34 | H35 | 118.5° | 120.0° |
| C11 | C16 | C15 | H36 | 176.8° | 180.0° |
| C11 | C16 | C15 | H37 | 63.6° | 60.0° |
| C16 | C11 | C12 | H42 | 174.3° | 180.0° |
| C16 | C11 | C12 | H43 | 66.5° | 60.0° |
| N | C | O | C17 | 179.6° | 180.0° |
| N | C | C17 | C18 | 27.1° | 180.0° |
| N | C | C17 | C20 | 154.9° | 0.3° |
| C | N | C1 | H8 | 28.8° | 34.9° |
| C15 | C14 | C13 | H38 | 120.1° | 120.0° |
| C15 | C14 | C13 | H39 | 120.1° | 120.0° |
| C15 | C14 | C13 | C12 | 57.2° | 59.9° |
| C14 | C15 | C16 | H34 | 177.1° | 60.0° |
| C14 | C15 | C16 | H35 | 63.9° | 180.0° |
| C14 | C15 | H36 | H37 | 119.4° | 120.0° |
| C15 | C14 | H38 | H39 | 119.7° | 120.0° |
| C15 | C14 | C13 | H40 | 177.5° | 180.0° |
| C15 | C14 | C13 | H41 | 63.1° | 60.0° |
| C11 | C12 | C13 | C14 | 56.6° | 60.0° |
| C11 | C12 | C13 | H42 | 120.4° | 120.0° |
| C11 | C12 | C13 | H43 | 120.4° | 120.1° |
| C12 | C11 | C10 | H31 | 61.4° | 55.0° |
| C12 | C11 | C10 | H32 | 179.1° | 64.9° |
| C12 | C11 | C16 | H34 | 174.6° | 60.0° |
| C12 | C11 | C16 | H35 | 66.4° | 180.0° |
| C11 | C12 | C13 | H40 | 176.9° | 180.0° |
| C11 | C12 | C13 | H41 | 63.7° | 59.9° |
| C11 | C12 | H42 | H43 | 118.8° | 120.0° |
| O | C | C17 | C18 | 153.2° | 0.0° |
| O | C | C17 | C20 | 24.7° | 179.8° |
| O | C | N | H30 | 177.5° | 180.0° |
| C | C17 | C18 | C20 | 178.0° | 179.7° |
| C | C17 | C18 | C19 | 176.9° | 180.0° |
| C | C17 | C20 | C21 | 177.1° | 179.8° |
| C | C17 | C18 | H27 | 3.0° | 0.0° |
| C | C17 | C20 | H29 | 2.9° | 0.3° |
| C17 | C | N | H30 | 2.1° | 0.0° |
| C17 | C18 | C19 | H27 | 180.0° | 180.0° |
| C17 | C18 | C19 | C22 | 0.0° | 0.0° |
| C18 | C17 | C20 | C21 | 0.9° | 0.5° |
| C17 | C18 | C19 | H26 | 180.0° | 180.0° |
| C18 | C17 | C20 | H29 | 179.0° | 180.0° |
| C19 | C18 | C17 | C20 | 1.0° | 0.2° |
| C18 | C19 | C22 | H26 | 180.0° | 179.9° |
| C18 | C19 | C22 | C21 | 1.2° | 0.0° |
| C18 | C19 | C22 | C23 | 177.0° | 179.7° |
| C14 | C13 | C12 | H40 | 120.3° | 120.1° |
| C14 | C13 | C12 | H41 | 120.3° | 119.9° |
| C13 | C14 | C15 | H36 | 176.9° | 180.0° |
| C13 | C14 | C15 | H37 | 63.4° | 60.0° |
| C13 | C14 | H38 | H39 | 119.7° | 120.0° |
| C14 | C13 | H40 | H41 | 119.2° | 119.9° |
| C14 | C13 | C12 | H42 | 177.0° | 180.0° |
| C14 | C13 | C12 | H43 | 63.7° | 60.1° |
| C13 | C12 | C11 | H33 | 63.3° | 59.9° |
| C12 | C13 | C14 | H38 | 62.9° | 60.0° |
| C12 | C13 | C14 | H39 | 177.3° | 180.0° |
| C12 | C13 | H40 | H41 | 119.2° | 120.0° |
| C13 | C12 | H42 | H43 | 118.9° | 119.9° |
| C17 | C20 | C21 | H29 | 180.0° | 179.5° |
| C17 | C20 | C21 | C22 | 0.2° | 0.5° |
| C20 | C17 | C18 | H27 | 179.0° | 179.7° |
| C17 | C20 | C21 | H28 | 179.8° | 179.5° |
| C19 | C22 | C21 | C20 | 1.3° | 0.3° |
| C19 | C22 | C21 | C23 | 178.2° | 179.7° |
| C19 | C22 | C23 | N3 | 168.5° | 89.8° |
| C19 | C22 | C23 | H24 | 71.1° | 150.3° |
| C19 | C22 | C23 | H25 | 48.0° | 30.3° |
| C22 | C19 | C18 | H27 | 180.0° | 180.0° |
| C19 | C22 | C21 | H28 | 178.7° | 179.8° |
| C20 | C21 | C22 | H28 | 180.0° | 179.9° |
| C20 | C21 | C22 | C23 | 176.9° | 180.0° |
| C21 | C22 | C23 | N3 | 9.7° | 89.9° |
| C21 | C22 | C23 | H24 | 110.8° | 30.0° |
| C21 | C22 | C23 | H25 | 130.1° | 150.0° |
| C21 | C22 | C19 | H26 | 178.8° | 179.9° |
| C22 | C21 | C20 | H29 | 179.8° | 180.0° |
| C22 | C23 | N3 | H24 | 120.5° | 119.9° |
| C22 | C23 | N3 | H25 | 120.5° | 120.1° |
| C22 | C23 | N3 | C24 | 86.4° | 180.0° |
| C22 | C23 | N3 | H14 | 93.6° | 0.0° |
| C22 | C23 | H24 | H25 | 118.5° | 120.0° |
| C23 | C22 | C19 | H26 | 3.0° | 0.2° |
| C23 | C22 | C21 | H28 | 3.1° | 0.1° |
| O4 | C24 | N3 | C23 | 1.3° | 0.1° |
| O4 | C24 | N3 | C25 | 177.8° | 180.0° |
| O4 | C24 | C25 | C26 | 6.9° | 0.3° |
| O4 | C24 | C25 | C28 | 175.5° | 180.0° |
| O4 | C24 | N3 | H14 | 178.7° | 180.0° |
| C23 | N3 | C24 | H14 | 180.0° | 180.0° |
| C23 | N3 | C24 | C25 | 179.1° | 180.0° |
| N3 | C23 | H24 | H25 | 118.5° | 120.0° |
| N4 | C26 | C25 | C24 | 3.1° | 0.1° |
| N4 | C26 | C25 | N5 | 179.5° | 179.9° |
| N4 | C26 | C25 | C28 | 178.7° | 179.7° |
| N4 | C26 | N5 | C27 | 2.7° | 0.0° |
| N4 | C26 | N5 | N6 | 178.6° | 179.7° |
| C26 | N4 | H18 | H19 | 120.0° | 179.9° |
| N3 | C24 | C25 | C26 | 170.9° | 179.8° |
| N3 | C24 | C25 | C28 | 6.7° | 0.0° |
| C24 | N3 | C23 | H24 | 34.0° | 60.1° |
| C24 | N3 | C23 | H25 | 153.1° | 59.9° |
| C24 | C25 | C26 | C28 | 178.2° | 179.8° |
| C24 | C25 | C26 | N5 | 177.5° | 179.9° |
| C24 | C25 | C28 | N6 | 177.6° | 180.0° |
| C25 | C24 | N3 | H14 | 0.9° | 0.0° |
| C24 | C25 | C28 | H20 | 2.4° | 0.0° |
| C25 | C26 | N5 | C27 | 177.8° | 179.9° |
| C25 | C26 | N5 | N6 | 0.9° | 0.4° |
| C26 | C25 | C28 | N6 | 0.4° | 0.2° |
| C25 | C26 | N4 | H18 | 180.0° | 0.1° |
| C25 | C26 | N4 | H19 | 60.0° | 180.0° |
| C26 | C25 | C28 | H20 | 179.6° | 179.8° |
| N5 | C26 | C25 | C28 | 0.7° | 0.4° |
| C26 | N5 | C27 | N6 | 178.6° | 179.7° |
| C26 | N5 | N6 | C28 | 0.6° | 0.3° |
| N5 | C26 | N4 | H18 | 0.6° | 179.8° |
| N5 | C26 | N4 | H19 | 119.4° | 0.1° |
| C26 | N5 | C27 | H21 | 178.7° | 89.7° |
| C26 | N5 | C27 | H22 | 61.4° | 30.2° |
| C26 | N5 | C27 | H23 | 58.6° | 150.3° |
| C25 | C28 | N6 | N5 | 0.1° | 0.0° |
| C25 | C28 | N6 | H20 | 180.0° | 180.0° |
| C27 | N5 | N6 | C28 | 178.2° | 180.0° |
| N5 | C27 | H21 | H22 | 120.0° | 120.0° |
| N5 | C27 | H21 | H23 | 120.0° | 120.0° |
| N5 | C27 | H22 | H23 | 120.0° | 120.0° |
| N5 | N6 | C28 | H20 | 179.9° | 180.0° |
| N6 | N5 | C27 | H21 | 0.0° | 90.0° |
| N6 | N5 | C27 | H22 | 120.0° | 150.1° |
| N6 | N5 | C27 | H23 | 120.0° | 30.0° |
| H1 | N1 | C3 | H17 | 148.5° | 145.2° |
| H2 | C7 | C8 | H4 | 6.6° | 58.6° |
| H2 | C7 | C8 | H5 | 112.9° | 61.3° |
| H2 | C7 | C6 | H12 | 58.9° | 54.8° |
| H2 | C7 | C6 | H13 | 60.8° | 65.6° |
| H3 | C7 | C8 | H4 | 126.1° | 61.5° |
| H3 | C7 | C8 | H5 | 6.7° | 178.6° |
| H3 | C7 | C6 | H12 | 178.5° | 174.9° |
| H3 | C7 | C6 | H13 | 58.7° | 54.5° |
| H4 | C8 | C3 | H17 | 53.8° | 61.4° |
| H5 | C8 | C3 | H17 | 173.3° | 178.6° |
| H6 | C9 | C1 | H8 | 72.5° | 175.0° |
| H6 | C9 | C10 | H31 | 57.2° | 180.0° |
| H6 | C9 | C10 | H32 | 174.9° | 60.1° |
| H7 | C9 | C1 | H8 | 169.9° | 65.0° |
| H7 | C9 | C10 | H31 | 60.4° | 60.1° |
| H7 | C9 | C10 | H32 | 57.2° | 180.0° |
| H8 | C1 | N | H30 | 151.2° | 145.0° |
| H9 | C5 | H10 | H11 | 120.0° | 120.1° |
| H14 | N3 | C23 | H24 | 146.0° | 120.0° |
| H14 | N3 | C23 | H25 | 26.9° | 120.0° |
| H15 | C4 | C3 | H17 | 178.4° | 174.9° |
| H16 | C4 | C3 | H17 | 62.2° | 54.4° |
| H21 | C27 | H22 | H23 | 120.0° | 120.0° |
| H26 | C19 | C18 | H27 | 0.0° | 0.1° |
| H28 | C21 | C20 | H29 | 0.2° | 0.0° |
| H31 | C10 | C11 | H33 | 179.2° | 65.1° |
| H32 | C10 | C11 | H33 | 61.5° | 175.0° |
| H33 | C11 | C16 | H34 | 57.4° | 179.9° |
| H33 | C11 | C16 | H35 | 176.5° | 60.0° |
| H33 | C11 | C12 | H42 | 57.1° | 60.0° |
| H33 | C11 | C12 | H43 | 176.3° | 180.0° |
| H34 | C16 | C15 | H36 | 62.7° | 60.0° |
| H34 | C16 | C15 | H37 | 56.9° | 179.9° |
| H35 | C16 | C15 | H36 | 56.3° | 60.0° |
| H35 | C16 | C15 | H37 | 175.9° | 60.0° |
| H36 | C15 | C14 | H38 | 56.8° | 60.0° |
| H36 | C15 | C14 | H39 | 63.0° | 60.0° |
| H37 | C15 | C14 | H38 | 176.5° | 180.0° |
| H37 | C15 | C14 | H39 | 56.7° | 60.0° |
| H38 | C14 | C13 | H40 | 57.4° | 60.0° |
| H38 | C14 | C13 | H41 | 176.8° | 180.0° |
| H39 | C14 | C13 | H40 | 62.5° | 60.0° |
| H39 | C14 | C13 | H41 | 57.0° | 60.0° |
| H40 | C13 | C12 | H42 | 62.7° | 60.0° |
| H40 | C13 | C12 | H43 | 56.5° | 59.9° |
| H41 | C13 | C12 | H42 | 56.7° | 60.1° |
| H41 | C13 | C12 | H43 | 176.0° | 180.0° |
