JSH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | C8 | sing | 1.51Å | 1.51Å | |
| C17 | C15 | sing | 1.53Å | 1.55Å | |
| C11 | C9 | sing | 1.51Å | 1.51Å | |
| C8 | C9 | doub | 1.39Å | 1.40Å | Aromatic |
| C8 | C7 | sing | 1.39Å | 1.41Å | Aromatic |
| C9 | C10 | sing | 1.37Å | 1.39Å | Aromatic |
| C15 | C18 | sing | 1.54Å | 1.54Å | |
| C15 | C7 | sing | 1.50Å | 1.55Å | |
| C15 | C16 | sing | 1.52Å | 1.55Å | |
| C7 | C5 | doub | 1.40Å | 1.42Å | Aromatic |
| C16 | C14 | sing | 1.50Å | 1.52Å | |
| C10 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.43Å | Aromatic |
| C5 | N3 | sing | 1.41Å | 1.47Å | |
| C6 | N4 | sing | 1.40Å | 1.45Å | |
| C14 | N3 | sing | 1.49Å | 1.48Å | |
| C14 | C22 | sing | 1.54Å | 1.56Å | |
| N3 | C3 | sing | 1.48Å | 1.50Å | |
| O7 | C19 | sing | 1.43Å | 1.40Å | |
| N4 | C13 | sing | 1.47Å | 1.52Å | |
| N4 | C4 | sing | 1.35Å | 1.36Å | |
| C22 | C23 | sing | 1.56Å | 1.53Å | |
| C13 | C19 | sing | 1.53Å | 1.46Å | |
| C3 | C4 | sing | 1.49Å | 1.56Å | |
| C3 | C2 | sing | 1.51Å | 1.53Å | |
| C3 | C23 | sing | 1.54Å | 1.63Å | |
| C19 | C20 | sing | 1.53Å | 1.55Å | |
| O2 | C2 | doub | 1.21Å | 1.26Å | |
| C4 | N2 | doub | 1.31Å | 1.28Å | |
| C20 | C21 | sing | 1.53Å | 1.49Å | |
| C20 | O8 | sing | 1.43Å | 1.39Å | |
| C2 | N1 | sing | 1.35Å | 1.37Å | |
| C23 | C24 | sing | 1.51Å | 1.50Å | |
| C21 | O9 | sing | 1.43Å | 1.43Å | |
| C21 | C30 | sing | 1.53Å | 1.51Å | |
| C29 | C24 | doub | 1.38Å | 1.37Å | Aromatic |
| C29 | C28 | sing | 1.38Å | 1.40Å | Aromatic |
| N2 | C1 | sing | 1.34Å | 1.34Å | |
| O3 | C30 | sing | 1.43Å | 1.47Å | |
| O3 | P1 | sing | 1.61Å | 1.60Å | |
| N1 | C1 | sing | 1.34Å | 1.37Å | |
| C24 | C25 | sing | 1.38Å | 1.40Å | Aromatic |
| C1 | O1 | doub | 1.22Å | 1.24Å | |
| C28 | C27 | doub | 1.38Å | 1.36Å | Aromatic |
| O5 | P1 | doub | 1.48Å | 1.49Å | |
| P1 | O4 | sing | 1.61Å | 1.55Å | |
| P1 | O6 | sing | 1.61Å | 1.54Å | |
| C25 | C26 | doub | 1.38Å | 1.38Å | Aromatic |
| C27 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C10 | H4 | sing | 1.08Å | 1.08Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.10Å | 1.10Å | |
| C16 | H14 | sing | 1.10Å | 1.10Å | |
| C16 | H15 | sing | 1.10Å | 1.10Å | |
| C17 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C19 | H22 | sing | 1.09Å | 1.10Å | |
| C20 | H23 | sing | 1.09Å | 1.10Å | |
| C21 | H24 | sing | 1.09Å | 1.10Å | |
| O4 | H25 | sing | 0.97Å | 0.95Å | |
| O6 | H26 | sing | 0.97Å | 0.95Å | |
| O7 | H27 | sing | 0.97Å | 0.95Å | |
| O8 | H28 | sing | 0.97Å | 0.95Å | |
| O9 | H29 | sing | 0.97Å | 0.95Å | |
| C22 | H30 | sing | 1.09Å | 1.10Å | |
| C22 | H31 | sing | 1.09Å | 1.10Å | |
| C23 | H32 | sing | 1.10Å | 1.10Å | |
| C25 | H33 | sing | 1.08Å | 1.08Å | |
| C26 | H34 | sing | 1.08Å | 1.08Å | |
| C27 | H35 | sing | 1.08Å | 1.08Å | |
| C28 | H36 | sing | 1.08Å | 1.08Å | |
| C29 | H37 | sing | 1.08Å | 1.08Å | |
| C30 | H38 | sing | 1.09Å | 1.10Å | |
| C30 | H39 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | C8 | C9 | 119.8° | 113.8° |
| C12 | C8 | C7 | 122.6° | 124.9° |
| C8 | C12 | H8 | 109.5° | 109.5° |
| C8 | C12 | H9 | 109.5° | 109.5° |
| C8 | C12 | H10 | 109.5° | 109.5° |
| C17 | C15 | C18 | 105.8° | 109.1° |
| C17 | C15 | C7 | 119.1° | 111.5° |
| C17 | C15 | C16 | 110.0° | 106.3° |
| C15 | C17 | H16 | 109.5° | 109.4° |
| C15 | C17 | H17 | 109.5° | 109.4° |
| C15 | C17 | H18 | 109.4° | 109.5° |
| C11 | C9 | C8 | 118.7° | 119.5° |
| C11 | C9 | C10 | 119.4° | 120.5° |
| C9 | C11 | H5 | 109.5° | 109.5° |
| C9 | C11 | H6 | 109.5° | 109.4° |
| C9 | C11 | H7 | 109.5° | 109.5° |
| C9 | C8 | C7 | 117.5° | 121.4° |
| C8 | C9 | C10 | 121.7° | 120.0° |
| C8 | C7 | C15 | 126.6° | 119.5° |
| C8 | C7 | C5 | 120.4° | 118.8° |
| C9 | C10 | C6 | 122.6° | 119.4° |
| C9 | C10 | H4 | 118.7° | 118.5° |
| C18 | C15 | C7 | 104.9° | 110.2° |
| C18 | C15 | C16 | 114.0° | 106.2° |
| C15 | C18 | H19 | 109.5° | 109.5° |
| C15 | C18 | H20 | 109.4° | 109.5° |
| C15 | C18 | H21 | 109.5° | 109.5° |
| C7 | C15 | C16 | 103.2° | 113.3° |
| C15 | C7 | C5 | 113.0° | 121.6° |
| C15 | C16 | C14 | 119.5° | 113.6° |
| C15 | C16 | H14 | 106.9° | 108.3° |
| C15 | C16 | H15 | 106.9° | 108.4° |
| C7 | C5 | C6 | 121.7° | 119.1° |
| C7 | C5 | N3 | 121.8° | 122.4° |
| C16 | C14 | N3 | 109.4° | 111.6° |
| C16 | C14 | C22 | 123.2° | 116.7° |
| C16 | C14 | H13 | 106.8° | 108.3° |
| C14 | C16 | H14 | 106.9° | 109.4° |
| C14 | C16 | H15 | 106.9° | 109.5° |
| C10 | C6 | C5 | 116.0° | 121.2° |
| C10 | C6 | N4 | 121.7° | 117.6° |
| C6 | C10 | H4 | 118.7° | 122.0° |
| C6 | C5 | N3 | 116.5° | 118.4° |
| C5 | C6 | N4 | 122.1° | 121.3° |
| C5 | N3 | C14 | 114.5° | 109.6° |
| C5 | N3 | C3 | 123.1° | 112.0° |
| C6 | N4 | C13 | 121.7° | 122.5° |
| C6 | N4 | C4 | 121.6° | 118.1° |
| N3 | C14 | C22 | 102.7° | 101.8° |
| C14 | N3 | C3 | 104.8° | 100.4° |
| N3 | C14 | H13 | 107.3° | 109.9° |
| C14 | C22 | C23 | 104.7° | 101.7° |
| C22 | C14 | H13 | 106.5° | 108.3° |
| C14 | C22 | H30 | 110.7° | 110.9° |
| C14 | C22 | H31 | 110.7° | 111.7° |
| N3 | C3 | C4 | 111.8° | 111.1° |
| N3 | C3 | C2 | 108.1° | 110.6° |
| N3 | C3 | C23 | 108.1° | 105.3° |
| O7 | C19 | C13 | 112.2° | 109.5° |
| O7 | C19 | C20 | 105.5° | 109.5° |
| O7 | C19 | H22 | 111.7° | 109.5° |
| C19 | O7 | H27 | 109.5° | 114.0° |
| C13 | N4 | C4 | 116.6° | 119.4° |
| N4 | C13 | C19 | 119.1° | 109.5° |
| N4 | C13 | H11 | 107.0° | 109.5° |
| N4 | C13 | H12 | 107.0° | 109.5° |
| N4 | C4 | C3 | 119.5° | 119.9° |
| N4 | C4 | N2 | 116.1° | 118.8° |
| C22 | C23 | C3 | 100.0° | 104.1° |
| C22 | C23 | C24 | 122.0° | 111.1° |
| C23 | C22 | H30 | 110.7° | 110.5° |
| C23 | C22 | H31 | 110.7° | 110.4° |
| C22 | C23 | H32 | 108.9° | 109.5° |
| C13 | C19 | C20 | 106.8° | 109.5° |
| C19 | C13 | H11 | 107.0° | 109.5° |
| C19 | C13 | H12 | 107.0° | 109.5° |
| C13 | C19 | H22 | 110.8° | 109.5° |
| C4 | C3 | C2 | 104.4° | 108.5° |
| C4 | C3 | C23 | 117.9° | 113.9° |
| C3 | C4 | N2 | 124.4° | 121.3° |
| C2 | C3 | C23 | 106.0° | 107.3° |
| C3 | C2 | O2 | 121.7° | 121.9° |
| C3 | C2 | N1 | 117.7° | 119.1° |
| C3 | C23 | C24 | 107.8° | 112.4° |
| C3 | C23 | H32 | 107.7° | 109.9° |
| C19 | C20 | C21 | 112.2° | 109.5° |
| C19 | C20 | O8 | 107.6° | 109.5° |
| C20 | C19 | H22 | 109.6° | 109.4° |
| C19 | C20 | H23 | 110.6° | 109.5° |
| O2 | C2 | N1 | 120.2° | 119.1° |
| C4 | N2 | C1 | 120.2° | 121.4° |
| C21 | C20 | O8 | 101.4° | 109.5° |
| C20 | C21 | O9 | 109.9° | 109.4° |
| C20 | C21 | C30 | 113.2° | 109.4° |
| C21 | C20 | H23 | 111.5° | 109.5° |
| C20 | C21 | H24 | 108.5° | 109.5° |
| O8 | C20 | H23 | 113.2° | 109.4° |
| C20 | O8 | H28 | 109.5° | 114.0° |
| C2 | N1 | C1 | 124.0° | 120.9° |
| C2 | N1 | H1 | 118.0° | 119.3° |
| C23 | C24 | C29 | 123.5° | 120.0° |
| C23 | C24 | C25 | 117.4° | 120.0° |
| C24 | C23 | H32 | 109.4° | 109.8° |
| O9 | C21 | C30 | 107.4° | 109.4° |
| O9 | C21 | H24 | 109.4° | 109.5° |
| C21 | O9 | H29 | 109.5° | 114.0° |
| C21 | C30 | O3 | 107.7° | 109.5° |
| C30 | C21 | H24 | 108.3° | 109.4° |
| C21 | C30 | H38 | 109.9° | 109.5° |
| C21 | C30 | H39 | 109.9° | 109.5° |
| C24 | C29 | C28 | 121.9° | 120.0° |
| C29 | C24 | C25 | 117.3° | 120.0° |
| C24 | C29 | H37 | 119.0° | 120.0° |
| C29 | C28 | C27 | 120.2° | 120.0° |
| C29 | C28 | H36 | 119.9° | 120.0° |
| C28 | C29 | H37 | 119.0° | 120.0° |
| N2 | C1 | N1 | 119.2° | 121.0° |
| N2 | C1 | O1 | 122.3° | 119.4° |
| C30 | O3 | P1 | 120.0° | 123.0° |
| O3 | C30 | H38 | 109.9° | 109.4° |
| O3 | C30 | H39 | 109.9° | 109.5° |
| O3 | P1 | O5 | 106.6° | 109.5° |
| O3 | P1 | O4 | 105.6° | 109.5° |
| O3 | P1 | O6 | 109.0° | 109.5° |
| N1 | C1 | O1 | 118.4° | 119.6° |
| C1 | N1 | H1 | 118.0° | 119.8° |
| C24 | C25 | C26 | 120.9° | 120.0° |
| C24 | C25 | H33 | 119.6° | 120.0° |
| C28 | C27 | C26 | 118.9° | 120.0° |
| C28 | C27 | H35 | 120.6° | 120.0° |
| C27 | C28 | H36 | 119.9° | 120.0° |
| O5 | P1 | O4 | 110.7° | 109.5° |
| O5 | P1 | O6 | 111.0° | 109.5° |
| O4 | P1 | O6 | 113.5° | 109.5° |
| P1 | O4 | H25 | 109.5° | 114.0° |
| P1 | O6 | H26 | 109.5° | 114.0° |
| C25 | C26 | C27 | 120.5° | 120.0° |
| C26 | C25 | H33 | 119.5° | 120.0° |
| C25 | C26 | H34 | 119.7° | 120.0° |
| C27 | C26 | H34 | 119.7° | 119.9° |
| C26 | C27 | H35 | 120.6° | 120.0° |
| H5 | C11 | H6 | 109.5° | 109.5° |
| H5 | C11 | H7 | 109.5° | 109.5° |
| H6 | C11 | H7 | 109.4° | 109.5° |
| H8 | C12 | H9 | 109.5° | 109.4° |
| H8 | C12 | H10 | 109.5° | 109.4° |
| H9 | C12 | H10 | 109.5° | 109.5° |
| H11 | C13 | H12 | 109.5° | 109.4° |
| H14 | C16 | H15 | 109.5° | 107.4° |
| H16 | C17 | H17 | 109.5° | 109.5° |
| H16 | C17 | H18 | 109.5° | 109.4° |
| H17 | C17 | H18 | 109.5° | 109.5° |
| H19 | C18 | H20 | 109.4° | 109.5° |
| H19 | C18 | H21 | 109.4° | 109.5° |
| H20 | C18 | H21 | 109.5° | 109.4° |
| H30 | C22 | H31 | 109.5° | 111.3° |
| H38 | C30 | H39 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | C8 | C9 | C11 | 7.2° | 1.8° |
| C12 | C8 | C9 | C7 | 176.2° | 179.0° |
| C12 | C8 | C9 | C10 | 177.3° | 178.2° |
| C12 | C8 | C7 | C15 | 2.4° | 3.3° |
| C12 | C8 | C7 | C5 | 178.4° | 176.9° |
| C8 | C12 | H8 | H9 | 120.0° | 120.0° |
| C8 | C12 | H8 | H10 | 120.0° | 120.0° |
| C8 | C12 | H9 | H10 | 120.0° | 120.0° |
| C17 | C15 | C7 | C8 | 7.5° | 56.8° |
| C17 | C15 | C18 | C7 | 126.8° | 122.7° |
| C17 | C15 | C18 | C16 | 121.0° | 114.2° |
| C17 | C15 | C7 | C16 | 122.3° | 119.9° |
| C17 | C15 | C7 | C5 | 171.7° | 122.9° |
| C17 | C15 | C16 | C14 | 174.0° | 100.1° |
| C17 | C15 | C16 | H14 | 52.6° | 21.7° |
| C17 | C15 | C16 | H15 | 64.6° | 137.9° |
| C15 | C17 | H16 | H17 | 120.0° | 119.9° |
| C15 | C17 | H16 | H18 | 120.0° | 120.0° |
| C15 | C17 | H17 | H18 | 120.0° | 120.0° |
| C17 | C15 | C18 | H19 | 180.0° | 54.5° |
| C17 | C15 | C18 | H20 | 60.0° | 65.6° |
| C17 | C15 | C18 | H21 | 60.0° | 174.5° |
| C11 | C9 | C8 | C10 | 175.6° | 180.0° |
| C11 | C9 | C8 | C7 | 176.7° | 179.2° |
| C11 | C9 | C10 | C6 | 176.3° | 179.7° |
| C11 | C9 | C10 | H4 | 3.7° | 0.9° |
| C9 | C11 | H5 | H6 | 120.0° | 120.0° |
| C9 | C11 | H5 | H7 | 120.0° | 120.0° |
| C9 | C11 | H6 | H7 | 120.0° | 120.0° |
| C9 | C8 | C7 | C15 | 178.5° | 177.8° |
| C9 | C8 | C7 | C5 | 2.4° | 2.0° |
| C8 | C9 | C10 | C6 | 0.8° | 0.4° |
| C8 | C9 | C10 | H4 | 179.2° | 179.0° |
| C8 | C9 | C11 | H5 | 92.1° | 90.0° |
| C8 | C9 | C11 | H6 | 147.8° | 150.0° |
| C8 | C9 | C11 | H7 | 27.9° | 30.0° |
| C9 | C8 | C12 | H8 | 91.9° | 83.0° |
| C9 | C8 | C12 | H9 | 148.1° | 157.0° |
| C9 | C8 | C12 | H10 | 28.1° | 37.0° |
| C7 | C8 | C9 | C10 | 1.1° | 0.8° |
| C8 | C7 | C15 | C18 | 110.5° | 64.4° |
| C8 | C7 | C15 | C5 | 179.2° | 179.8° |
| C8 | C7 | C15 | C16 | 129.8° | 176.8° |
| C8 | C7 | C5 | C6 | 3.4° | 2.0° |
| C8 | C7 | C5 | N3 | 174.9° | 177.1° |
| C7 | C8 | C12 | H8 | 92.1° | 98.0° |
| C7 | C8 | C12 | H9 | 27.9° | 22.0° |
| C7 | C8 | C12 | H10 | 147.9° | 142.0° |
| C9 | C10 | C6 | H4 | 180.0° | 179.4° |
| C9 | C10 | C6 | C5 | 1.6° | 0.3° |
| C9 | C10 | C6 | N4 | 176.8° | 179.6° |
| C10 | C9 | C11 | H5 | 92.2° | 90.0° |
| C10 | C9 | C11 | H6 | 27.8° | 29.9° |
| C10 | C9 | C11 | H7 | 147.8° | 149.9° |
| C18 | C15 | C7 | C16 | 119.7° | 118.8° |
| C18 | C15 | C7 | C5 | 70.3° | 115.8° |
| C18 | C15 | C16 | C14 | 55.4° | 143.7° |
| C18 | C15 | C16 | H14 | 66.0° | 94.5° |
| C18 | C15 | C16 | H15 | 176.8° | 21.8° |
| C18 | C15 | C17 | H16 | 180.0° | 60.0° |
| C18 | C15 | C17 | H17 | 60.0° | 180.0° |
| C18 | C15 | C17 | H18 | 60.0° | 59.9° |
| C15 | C18 | H19 | H20 | 120.0° | 120.0° |
| C15 | C18 | H19 | H21 | 120.0° | 120.0° |
| C15 | C18 | H20 | H21 | 120.0° | 120.0° |
| C7 | C15 | C16 | C14 | 57.9° | 22.7° |
| C15 | C7 | C5 | C6 | 177.4° | 177.8° |
| C15 | C7 | C5 | N3 | 4.4° | 3.1° |
| C7 | C15 | C16 | H14 | 179.3° | 144.5° |
| C7 | C15 | C16 | H15 | 63.5° | 99.3° |
| C7 | C15 | C17 | H16 | 62.4° | 61.9° |
| C7 | C15 | C17 | H17 | 177.6° | 58.1° |
| C7 | C15 | C17 | H18 | 57.6° | 178.2° |
| C7 | C15 | C18 | H19 | 53.3° | 68.3° |
| C7 | C15 | C18 | H20 | 66.7° | 171.7° |
| C7 | C15 | C18 | H21 | 173.2° | 51.7° |
| C16 | C15 | C7 | C5 | 49.4° | 3.0° |
| C15 | C16 | C14 | H14 | 121.4° | 121.2° |
| C15 | C16 | C14 | H15 | 121.4° | 121.3° |
| C15 | C16 | C14 | N3 | 16.0° | 54.7° |
| C15 | C16 | C14 | C22 | 136.6° | 61.8° |
| C15 | C16 | C14 | H13 | 100.0° | 175.8° |
| C15 | C16 | H14 | H15 | 115.4° | 116.9° |
| C16 | C15 | C17 | H16 | 56.4° | 174.2° |
| C16 | C15 | C17 | H17 | 63.6° | 65.8° |
| C16 | C15 | C17 | H18 | 176.4° | 54.2° |
| C16 | C15 | C18 | H19 | 59.0° | 168.7° |
| C16 | C15 | C18 | H20 | 178.9° | 48.7° |
| C16 | C15 | C18 | H21 | 61.0° | 71.3° |
| C7 | C5 | C6 | C10 | 2.8° | 0.9° |
| C7 | C5 | C6 | N3 | 178.3° | 179.2° |
| C7 | C5 | C6 | N4 | 178.1° | 178.4° |
| C7 | C5 | N3 | C14 | 42.9° | 33.8° |
| C7 | C5 | N3 | C3 | 172.2° | 144.4° |
| C16 | C14 | N3 | C5 | 34.2° | 59.2° |
| C16 | C14 | N3 | C22 | 132.4° | 125.2° |
| C16 | C14 | N3 | H13 | 115.6° | 120.2° |
| C16 | C14 | C22 | H13 | 123.6° | 122.4° |
| C16 | C14 | N3 | C3 | 172.0° | 177.2° |
| C16 | C14 | C22 | C23 | 169.2° | 163.2° |
| C14 | C16 | H14 | H15 | 115.5° | 118.8° |
| C16 | C14 | C22 | H30 | 71.6° | 79.3° |
| C16 | C14 | C22 | H31 | 50.0° | 45.4° |
| C10 | C6 | C5 | N4 | 175.3° | 179.2° |
| C10 | C6 | C5 | N3 | 175.5° | 178.3° |
| C10 | C6 | N4 | C13 | 7.3° | 17.3° |
| C10 | C6 | N4 | C4 | 175.2° | 161.6° |
| C6 | C5 | N3 | C14 | 135.4° | 147.0° |
| C6 | C5 | N3 | C3 | 6.2° | 36.4° |
| C5 | C6 | N4 | C13 | 167.7° | 163.5° |
| C5 | C6 | N4 | C4 | 9.8° | 17.6° |
| C5 | C6 | C10 | H4 | 178.4° | 179.1° |
| N3 | C5 | C6 | N4 | 0.2° | 2.5° |
| C5 | N3 | C14 | C3 | 137.8° | 118.1° |
| C5 | N3 | C14 | C22 | 98.3° | 66.0° |
| C5 | N3 | C3 | C4 | 18.4° | 49.5° |
| C5 | N3 | C3 | C2 | 132.8° | 170.1° |
| C5 | N3 | C3 | C23 | 112.9° | 74.3° |
| C5 | N3 | C14 | H13 | 149.7° | 179.3° |
| C6 | N4 | C13 | C4 | 177.7° | 178.9° |
| C6 | N4 | C13 | C19 | 98.0° | 88.9° |
| C6 | N4 | C4 | C3 | 24.0° | 1.3° |
| C6 | N4 | C4 | N2 | 155.2° | 178.2° |
| N4 | C6 | C10 | H4 | 3.2° | 0.2° |
| C6 | N4 | C13 | H11 | 140.7° | 31.2° |
| C6 | N4 | C13 | H12 | 23.4° | 151.1° |
| N3 | C14 | C22 | H13 | 112.7° | 115.8° |
| N3 | C14 | C22 | C23 | 45.5° | 41.4° |
| C14 | N3 | C3 | C4 | 151.6° | 165.8° |
| C14 | N3 | C3 | C2 | 94.0° | 73.6° |
| C14 | N3 | C3 | C23 | 20.3° | 42.0° |
| N3 | C14 | C16 | H14 | 137.3° | 175.9° |
| N3 | C14 | C16 | H15 | 105.4° | 66.7° |
| N3 | C14 | C22 | H30 | 164.7° | 158.9° |
| N3 | C14 | C22 | H31 | 73.8° | 76.3° |
| C22 | C14 | N3 | C3 | 39.6° | 52.0° |
| C14 | C22 | C23 | H30 | 119.2° | 117.8° |
| C14 | C22 | C23 | H31 | 119.2° | 118.7° |
| C14 | C22 | C23 | C3 | 30.8° | 15.4° |
| C14 | C22 | C23 | C24 | 149.2° | 136.5° |
| C22 | C14 | C16 | H14 | 102.0° | 59.4° |
| C22 | C14 | C16 | H15 | 15.2° | 176.9° |
| C14 | C22 | H30 | H31 | 122.2° | 125.0° |
| C14 | C22 | C23 | H32 | 81.9° | 102.1° |
| N3 | C3 | C4 | N4 | 27.2° | 31.8° |
| N3 | C3 | C23 | C22 | 7.3° | 15.9° |
| N3 | C3 | C4 | C2 | 116.6° | 121.8° |
| N3 | C3 | C4 | C23 | 126.2° | 118.7° |
| N3 | C3 | C2 | C23 | 115.7° | 114.3° |
| N3 | C3 | C2 | O2 | 39.6° | 29.5° |
| N3 | C3 | C4 | N2 | 151.9° | 148.7° |
| N3 | C3 | C2 | N1 | 147.9° | 150.4° |
| N3 | C3 | C23 | C24 | 135.7° | 104.4° |
| C3 | N3 | C14 | H13 | 72.5° | 62.6° |
| N3 | C3 | C23 | H32 | 106.4° | 133.1° |
| O7 | C19 | C13 | N4 | 61.4° | 60.0° |
| O7 | C19 | C13 | C20 | 115.2° | 120.0° |
| O7 | C19 | C13 | H22 | 125.6° | 120.0° |
| O7 | C19 | C20 | H22 | 120.4° | 119.9° |
| O7 | C19 | C20 | C21 | 59.0° | 60.0° |
| O7 | C19 | C20 | O8 | 169.7° | 180.0° |
| O7 | C19 | C13 | H11 | 177.2° | 180.0° |
| O7 | C19 | C13 | H12 | 60.0° | 60.0° |
| O7 | C19 | C20 | H23 | 66.2° | 60.0° |
| N4 | C13 | C19 | H11 | 121.4° | 120.0° |
| N4 | C13 | C19 | H12 | 121.4° | 120.0° |
| C13 | N4 | C4 | C3 | 153.6° | 179.8° |
| N4 | C13 | C19 | C20 | 176.5° | 180.0° |
| C13 | N4 | C4 | N2 | 27.2° | 0.7° |
| N4 | C13 | H11 | H12 | 115.6° | 120.0° |
| N4 | C13 | C19 | H22 | 64.2° | 60.0° |
| C4 | N4 | C13 | C19 | 84.4° | 90.0° |
| N4 | C4 | C3 | N2 | 179.1° | 179.5° |
| N4 | C4 | C3 | C2 | 143.8° | 153.7° |
| N4 | C4 | C3 | C23 | 98.9° | 86.9° |
| N4 | C4 | N2 | C1 | 160.8° | 173.1° |
| C4 | N4 | C13 | H11 | 37.0° | 150.0° |
| C4 | N4 | C13 | H12 | 154.3° | 30.0° |
| C22 | C23 | C3 | C4 | 120.7° | 137.9° |
| C22 | C23 | C3 | C2 | 122.9° | 102.0° |
| C22 | C23 | C3 | C24 | 128.4° | 120.3° |
| C22 | C23 | C3 | H32 | 113.6° | 117.2° |
| C22 | C23 | C24 | H32 | 128.6° | 121.3° |
| C22 | C23 | C24 | C29 | 32.4° | 34.4° |
| C22 | C23 | C24 | C25 | 163.3° | 145.3° |
| C23 | C22 | C14 | H13 | 67.2° | 74.4° |
| C23 | C22 | H30 | H31 | 122.2° | 123.0° |
| C13 | C19 | C20 | H22 | 120.1° | 120.0° |
| C13 | C19 | C20 | C21 | 178.5° | 180.0° |
| C13 | C19 | C20 | O8 | 70.7° | 59.9° |
| C19 | C13 | H11 | H12 | 115.6° | 120.0° |
| C13 | C19 | C20 | H23 | 53.3° | 60.0° |
| C13 | C19 | O7 | H27 | 180.0° | 60.0° |
| C4 | C3 | C2 | C23 | 125.1° | 123.5° |
| C4 | C3 | C2 | O2 | 158.8° | 151.7° |
| C4 | C3 | C2 | N1 | 28.7° | 28.3° |
| C4 | C3 | C23 | C24 | 7.8° | 17.6° |
| C3 | C4 | N2 | C1 | 18.3° | 7.5° |
| C4 | C3 | C23 | H32 | 125.7° | 104.9° |
| C3 | C2 | O2 | N1 | 172.3° | 180.0° |
| C2 | C3 | C4 | N2 | 35.3° | 26.9° |
| C2 | C3 | C23 | C24 | 108.6° | 137.7° |
| C3 | C2 | N1 | C1 | 9.7° | 11.1° |
| C3 | C2 | N1 | H1 | 170.3° | 167.5° |
| C2 | C3 | C23 | H32 | 9.3° | 15.2° |
| C23 | C3 | C2 | O2 | 76.1° | 84.8° |
| C23 | C3 | C4 | N2 | 82.0° | 92.6° |
| C23 | C3 | C2 | N1 | 96.4° | 95.2° |
| C3 | C23 | C24 | H32 | 116.9° | 122.6° |
| C3 | C23 | C24 | C29 | 82.1° | 81.8° |
| C3 | C23 | C24 | C25 | 82.2° | 98.5° |
| C3 | C23 | C22 | H30 | 150.1° | 133.2° |
| C3 | C23 | C22 | H31 | 88.4° | 103.3° |
| C19 | C20 | C21 | O8 | 114.5° | 120.0° |
| C19 | C20 | C21 | H23 | 124.7° | 120.0° |
| C19 | C20 | O8 | H23 | 122.5° | 120.0° |
| C19 | C20 | C21 | O9 | 167.6° | 60.0° |
| C19 | C20 | C21 | C30 | 47.5° | 180.0° |
| C20 | C19 | C13 | H11 | 62.1° | 60.0° |
| C20 | C19 | C13 | H12 | 55.2° | 60.0° |
| C19 | C20 | C21 | H24 | 72.8° | 60.1° |
| C20 | C19 | O7 | H27 | 64.1° | 60.0° |
| C19 | C20 | O8 | H28 | 180.0° | 60.0° |
| O2 | C2 | N1 | C1 | 177.7° | 168.8° |
| O2 | C2 | N1 | H1 | 2.3° | 12.5° |
| C4 | N2 | C1 | N1 | 7.8° | 14.2° |
| C4 | N2 | C1 | O1 | 170.3° | 166.4° |
| C21 | C20 | O8 | H23 | 119.5° | 120.0° |
| C20 | C21 | O9 | C30 | 123.5° | 119.9° |
| C20 | C21 | O9 | H24 | 119.1° | 120.1° |
| C20 | C21 | C30 | H24 | 120.4° | 120.0° |
| C20 | C21 | C30 | O3 | 166.4° | 175.0° |
| C21 | C20 | C19 | H22 | 61.4° | 60.0° |
| C21 | C20 | O8 | H28 | 62.0° | 60.0° |
| C20 | C21 | O9 | H29 | 180.0° | 60.0° |
| C20 | C21 | C30 | H38 | 46.7° | 55.1° |
| C20 | C21 | C30 | H39 | 73.9° | 65.0° |
| O8 | C20 | C21 | O9 | 53.1° | 180.0° |
| O8 | C20 | C21 | C30 | 67.0° | 60.0° |
| O8 | C20 | C19 | H22 | 49.4° | 60.1° |
| O8 | C20 | C21 | H24 | 172.7° | 59.9° |
| C2 | N1 | C1 | N2 | 12.1° | 11.9° |
| C2 | N1 | C1 | H1 | 180.0° | 178.7° |
| C2 | N1 | C1 | O1 | 166.1° | 168.7° |
| C23 | C24 | C29 | C25 | 164.3° | 179.7° |
| C23 | C24 | C29 | C28 | 165.3° | 179.7° |
| C23 | C24 | C25 | C26 | 160.9° | 180.0° |
| C24 | C23 | C22 | H30 | 91.5° | 105.7° |
| C24 | C23 | C22 | H31 | 30.0° | 17.9° |
| C23 | C24 | C25 | H33 | 19.0° | 0.0° |
| C23 | C24 | C29 | H37 | 14.7° | 0.0° |
| O9 | C21 | C30 | H24 | 118.1° | 120.1° |
| O9 | C21 | C30 | O3 | 72.1° | 65.1° |
| O9 | C21 | C20 | H23 | 67.7° | 60.0° |
| O9 | C21 | C30 | H38 | 168.2° | 175.0° |
| O9 | C21 | C30 | H39 | 47.6° | 55.0° |
| C21 | C30 | O3 | H38 | 119.7° | 119.9° |
| C21 | C30 | O3 | H39 | 119.7° | 120.0° |
| C21 | C30 | O3 | P1 | 115.8° | 180.0° |
| C30 | C21 | C20 | H23 | 172.2° | 60.0° |
| C30 | C21 | O9 | H29 | 56.5° | 59.9° |
| C21 | C30 | H38 | H39 | 120.8° | 120.0° |
| C24 | C29 | C28 | H37 | 180.0° | 179.8° |
| C24 | C29 | C28 | C27 | 4.9° | 0.5° |
| C29 | C24 | C25 | C26 | 4.3° | 0.3° |
| C29 | C24 | C23 | H32 | 161.1° | 155.7° |
| C29 | C24 | C25 | H33 | 175.7° | 179.8° |
| C24 | C29 | C28 | H36 | 175.1° | 179.8° |
| C28 | C29 | C24 | C25 | 1.1° | 0.5° |
| C29 | C28 | C27 | H36 | 180.0° | 179.7° |
| C29 | C28 | C27 | C26 | 3.3° | 0.3° |
| C29 | C28 | C27 | H35 | 176.7° | 179.7° |
| N2 | C1 | N1 | O1 | 178.2° | 179.4° |
| N2 | C1 | N1 | H1 | 167.9° | 169.4° |
| C30 | O3 | P1 | O5 | 168.1° | 55.0° |
| C30 | O3 | P1 | O4 | 74.2° | 65.0° |
| C30 | O3 | P1 | O6 | 48.1° | 175.0° |
| O3 | C30 | C21 | H24 | 46.0° | 55.0° |
| O3 | C30 | H38 | H39 | 120.8° | 120.0° |
| O3 | P1 | O5 | O4 | 114.3° | 120.0° |
| O3 | P1 | O5 | O6 | 118.6° | 120.0° |
| O3 | P1 | O4 | O6 | 119.4° | 120.0° |
| O3 | P1 | O4 | H25 | 115.0° | 60.0° |
| O3 | P1 | O6 | H26 | 117.2° | 180.0° |
| P1 | O3 | C30 | H38 | 124.5° | 60.0° |
| P1 | O3 | C30 | H39 | 3.9° | 60.0° |
| C24 | C25 | C26 | H33 | 180.0° | 180.0° |
| C24 | C25 | C26 | C27 | 5.9° | 0.0° |
| C25 | C24 | C23 | H32 | 34.7° | 24.1° |
| C24 | C25 | C26 | H34 | 174.1° | 180.0° |
| C25 | C24 | C29 | H37 | 178.9° | 179.7° |
| O1 | C1 | N1 | H1 | 13.9° | 10.0° |
| C28 | C27 | C26 | C25 | 2.0° | 0.0° |
| C28 | C27 | C26 | H35 | 180.0° | 180.0° |
| C28 | C27 | C26 | H34 | 178.0° | 180.0° |
| C27 | C28 | C29 | H37 | 175.1° | 179.7° |
| O5 | P1 | O4 | O6 | 125.6° | 120.0° |
| O5 | P1 | O4 | H25 | 0.0° | 180.0° |
| O5 | P1 | O6 | H26 | 0.0° | 60.0° |
| O4 | P1 | O6 | H26 | 125.5° | 60.0° |
| O6 | P1 | O4 | H25 | 125.6° | 60.0° |
| C25 | C26 | C27 | H34 | 180.0° | 179.9° |
| C25 | C26 | C27 | H35 | 178.0° | 180.0° |
| C27 | C26 | C25 | H33 | 174.1° | 180.0° |
| C26 | C27 | C28 | H36 | 176.7° | 180.0° |
| H5 | C11 | H6 | H7 | 120.0° | 120.0° |
| H8 | C12 | H9 | H10 | 120.0° | 119.9° |
| H11 | C13 | C19 | H22 | 57.2° | 60.0° |
| H12 | C13 | C19 | H22 | 174.5° | 180.0° |
| H13 | C14 | C16 | H14 | 21.4° | 63.0° |
| H13 | C14 | C16 | H15 | 138.7° | 54.5° |
| H13 | C14 | C22 | H30 | 52.0° | 43.1° |
| H13 | C14 | C22 | H31 | 173.6° | 167.9° |
| H16 | C17 | H17 | H18 | 120.0° | 120.0° |
| H19 | C18 | H20 | H21 | 120.0° | 120.0° |
| H22 | C19 | C20 | H23 | 173.4° | 180.0° |
| H22 | C19 | O7 | H27 | 54.9° | 179.9° |
| H23 | C20 | C21 | H24 | 51.9° | 179.9° |
| H23 | C20 | O8 | H28 | 57.5° | 180.0° |
| H24 | C21 | O9 | H29 | 60.9° | 179.9° |
| H24 | C21 | C30 | H38 | 73.8° | 64.9° |
| H24 | C21 | C30 | H39 | 165.7° | 175.0° |
| H30 | C22 | C23 | H32 | 37.3° | 15.7° |
| H31 | C22 | C23 | H32 | 158.8° | 139.3° |
| H33 | C25 | C26 | H34 | 5.9° | 0.0° |
| H34 | C26 | C27 | H35 | 2.0° | 0.0° |
| H35 | C27 | C28 | H36 | 3.3° | 0.0° |
| H36 | C28 | C29 | H37 | 4.9° | 0.0° |
