UUR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | C4 | sing | 1.53Å | 1.52Å | |
| C18 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C17 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | C6 | sing | 1.53Å | 1.52Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| S1 | C17 | sing | 1.76Å | 1.76Å | |
| S1 | C16 | sing | 1.81Å | 1.82Å | |
| C19 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | C22 | doub | 1.39Å | 1.39Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.37Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C16 | C15 | sing | 1.53Å | 1.50Å | |
| N1 | C2 | sing | 1.46Å | 1.45Å | |
| N1 | C1 | sing | 1.35Å | 1.34Å | |
| O5 | C1 | sing | 1.35Å | 1.34Å | |
| O5 | C15 | sing | 1.45Å | 1.45Å | |
| C2 | C7 | sing | 1.51Å | 1.53Å | |
| C1 | O1 | doub | 1.22Å | 1.21Å | |
| C7 | O4 | doub | 1.21Å | 1.23Å | |
| C7 | N2 | sing | 1.35Å | 1.33Å | |
| N2 | C8 | sing | 1.46Å | 1.46Å | |
| S2 | C14 | sing | 1.81Å | 1.81Å | |
| C8 | C14 | sing | 1.53Å | 1.52Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C14 | O3 | sing | 1.43Å | 1.42Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C10 | C13 | sing | 1.55Å | 1.52Å | |
| C10 | C11 | sing | 1.51Å | 1.52Å | |
| C13 | C12 | sing | 1.54Å | 1.52Å | |
| C11 | O2 | doub | 1.21Å | 1.24Å | |
| C11 | N3 | sing | 1.34Å | 1.33Å | |
| C12 | N3 | sing | 1.47Å | 1.46Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C2 | H15 | sing | 1.09Å | 1.10Å | |
| C3 | H16 | sing | 1.09Å | 1.10Å | |
| C3 | H17 | sing | 1.09Å | 1.10Å | |
| C9 | H18 | sing | 1.09Å | 1.10Å | |
| C9 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C15 | H21 | sing | 1.09Å | 1.10Å | |
| C15 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| C18 | H25 | sing | 1.08Å | 1.08Å | |
| C19 | H26 | sing | 1.08Å | 1.08Å | |
| C20 | H27 | sing | 1.08Å | 1.08Å | |
| C21 | H28 | sing | 1.08Å | 1.08Å | |
| C22 | H29 | sing | 1.08Å | 1.08Å | |
| N2 | H30 | sing | 0.97Å | 1.00Å | |
| N3 | H31 | sing | 0.97Å | 1.00Å | |
| O3 | H32 | sing | 0.97Å | 0.95Å | |
| S2 | O6 | doub | 1.42Å | 1.81Å | |
| S2 | O7 | sing | 1.52Å | 35.08Å | |
| S2 | O8 | doub | 1.42Å | 35.08Å | |
| O7 | H34 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C4 | C6 | 110.4° | 109.5° |
| C5 | C4 | C3 | 111.2° | 109.5° |
| C5 | C4 | H2 | 108.2° | 109.5° |
| C4 | C5 | H3 | 109.5° | 109.5° |
| C4 | C5 | H4 | 109.5° | 109.5° |
| C4 | C5 | H5 | 109.5° | 109.5° |
| C19 | C18 | C17 | 120.1° | 119.9° |
| C18 | C19 | C20 | 120.4° | 120.1° |
| C19 | C18 | H25 | 119.9° | 120.1° |
| C18 | C19 | H26 | 119.8° | 119.9° |
| C18 | C17 | S1 | 120.2° | 120.1° |
| C18 | C17 | C22 | 119.1° | 119.8° |
| C17 | C18 | H25 | 119.9° | 120.0° |
| C6 | C4 | C3 | 110.5° | 109.5° |
| C6 | C4 | H2 | 108.3° | 109.4° |
| C4 | C6 | H6 | 109.5° | 109.5° |
| C4 | C6 | H7 | 109.4° | 109.5° |
| C4 | C6 | H8 | 109.5° | 109.4° |
| C4 | C3 | C2 | 113.7° | 109.5° |
| C3 | C4 | H2 | 108.1° | 109.5° |
| C4 | C3 | H16 | 108.4° | 109.5° |
| C4 | C3 | H17 | 108.4° | 109.5° |
| C17 | S1 | C16 | 103.5° | 103.0° |
| S1 | C17 | C22 | 120.7° | 120.1° |
| S1 | C16 | C15 | 112.6° | 109.5° |
| S1 | C16 | H23 | 108.7° | 109.5° |
| S1 | C16 | H24 | 108.7° | 109.4° |
| C19 | C20 | C21 | 119.9° | 120.2° |
| C20 | C19 | H26 | 119.8° | 120.0° |
| C19 | C20 | H27 | 120.1° | 119.9° |
| C17 | C22 | C21 | 120.1° | 120.0° |
| C17 | C22 | H29 | 119.9° | 120.0° |
| C20 | C21 | C22 | 120.4° | 120.1° |
| C21 | C20 | H27 | 120.0° | 119.9° |
| C20 | C21 | H28 | 119.8° | 119.9° |
| C22 | C21 | H28 | 119.8° | 120.0° |
| C21 | C22 | H29 | 120.0° | 120.0° |
| C3 | C2 | N1 | 109.3° | 109.5° |
| C3 | C2 | C7 | 111.7° | 109.5° |
| C3 | C2 | H15 | 107.8° | 109.5° |
| C2 | C3 | H16 | 108.4° | 109.4° |
| C2 | C3 | H17 | 108.4° | 109.4° |
| C16 | C15 | O5 | 105.3° | 109.5° |
| C16 | C15 | H21 | 110.5° | 109.4° |
| C16 | C15 | H22 | 110.5° | 109.5° |
| C15 | C16 | H23 | 108.7° | 109.5° |
| C15 | C16 | H24 | 108.7° | 109.5° |
| C2 | N1 | C1 | 120.0° | 120.0° |
| N1 | C2 | C7 | 111.3° | 109.5° |
| C2 | N1 | H1 | 120.0° | 120.0° |
| N1 | C2 | H15 | 108.8° | 109.4° |
| N1 | C1 | O5 | 109.7° | 120.0° |
| N1 | C1 | O1 | 124.6° | 120.0° |
| C1 | N1 | H1 | 120.0° | 120.0° |
| C1 | O5 | C15 | 116.4° | 117.0° |
| O5 | C1 | O1 | 125.7° | 120.0° |
| O5 | C15 | H21 | 110.5° | 109.5° |
| O5 | C15 | H22 | 110.5° | 109.5° |
| C2 | C7 | O4 | 120.4° | 120.0° |
| C2 | C7 | N2 | 117.1° | 120.0° |
| C7 | C2 | H15 | 107.8° | 109.5° |
| O4 | C7 | N2 | 122.5° | 120.0° |
| C7 | N2 | C8 | 122.3° | 120.0° |
| C7 | N2 | H30 | 118.8° | 120.0° |
| N2 | C8 | C14 | 110.1° | 109.5° |
| N2 | C8 | C9 | 110.3° | 109.5° |
| N2 | C8 | H9 | 108.7° | 109.5° |
| C8 | N2 | H30 | 118.8° | 120.0° |
| S2 | C14 | C8 | 108.3° | 109.5° |
| S2 | C14 | O3 | 113.5° | 109.4° |
| S2 | C14 | H20 | 105.5° | 109.5° |
| C14 | S2 | O6 | 103.2° | 110.6° |
| C14 | S2 | O7 | 117.7° | 104.4° |
| C14 | S2 | O8 | 117.7° | 110.6° |
| C14 | C8 | C9 | 111.9° | 109.4° |
| C8 | C14 | O3 | 110.9° | 109.5° |
| C14 | C8 | H9 | 108.0° | 109.5° |
| C8 | C14 | H20 | 108.6° | 109.5° |
| C8 | C9 | C10 | 112.1° | 109.5° |
| C9 | C8 | H9 | 107.8° | 109.4° |
| C8 | C9 | H18 | 108.8° | 109.5° |
| C8 | C9 | H19 | 108.8° | 109.5° |
| O3 | C14 | H20 | 109.9° | 109.4° |
| C14 | O3 | H32 | 109.5° | 114.0° |
| C9 | C10 | C13 | 114.7° | 110.5° |
| C9 | C10 | C11 | 112.7° | 110.5° |
| C9 | C10 | H10 | 108.5° | 110.5° |
| C10 | C9 | H18 | 108.8° | 109.4° |
| C10 | C9 | H19 | 108.8° | 109.4° |
| C13 | C10 | C11 | 103.5° | 104.2° |
| C10 | C13 | C12 | 104.2° | 101.8° |
| C13 | C10 | H10 | 108.6° | 110.5° |
| C10 | C13 | H11 | 110.8° | 111.0° |
| C10 | C13 | H12 | 110.7° | 110.9° |
| C10 | C11 | O2 | 125.1° | 124.9° |
| C10 | C11 | N3 | 108.9° | 110.1° |
| C11 | C10 | H10 | 108.6° | 110.5° |
| C13 | C12 | N3 | 102.4° | 105.5° |
| C12 | C13 | H11 | 110.8° | 111.0° |
| C12 | C13 | H12 | 110.8° | 111.0° |
| C13 | C12 | H13 | 111.2° | 110.2° |
| C13 | C12 | H14 | 111.2° | 110.3° |
| O2 | C11 | N3 | 125.9° | 124.9° |
| C11 | N3 | C12 | 113.1° | 111.3° |
| C11 | N3 | H31 | 123.4° | 124.4° |
| N3 | C12 | H13 | 111.2° | 110.2° |
| N3 | C12 | H14 | 111.2° | 110.2° |
| C12 | N3 | H31 | 123.5° | 124.4° |
| H3 | C5 | H4 | 109.5° | 109.5° |
| H3 | C5 | H5 | 109.5° | 109.4° |
| H4 | C5 | H5 | 109.5° | 109.5° |
| H6 | C6 | H7 | 109.4° | 109.5° |
| H6 | C6 | H8 | 109.5° | 109.5° |
| H7 | C6 | H8 | 109.5° | 109.5° |
| H11 | C13 | H12 | 109.5° | 110.9° |
| H13 | C12 | H14 | 109.5° | 110.3° |
| H16 | C3 | H17 | 109.4° | 109.5° |
| H18 | C9 | H19 | 109.5° | 109.5° |
| H21 | C15 | H22 | 109.5° | 109.5° |
| H23 | C16 | H24 | 109.5° | 109.4° |
| O6 | S2 | O7 | 138.1° | 104.2° |
| O6 | S2 | O8 | 138.1° | 121.0° |
| O7 | S2 | O8 | 0.0° | 104.3° |
| S2 | O7 | H34 | 90.0° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C4 | C6 | C3 | 123.5° | 120.0° |
| C5 | C4 | C6 | H2 | 118.3° | 120.0° |
| C5 | C4 | C3 | H2 | 118.7° | 120.0° |
| C5 | C4 | C3 | C2 | 170.5° | 65.1° |
| C4 | C5 | H3 | H4 | 120.0° | 120.0° |
| C4 | C5 | H3 | H5 | 120.0° | 120.0° |
| C4 | C5 | H4 | H5 | 120.0° | 120.0° |
| C5 | C4 | C6 | H6 | 180.0° | 180.0° |
| C5 | C4 | C6 | H7 | 60.0° | 60.0° |
| C5 | C4 | C6 | H8 | 60.0° | 60.0° |
| C5 | C4 | C3 | H16 | 68.8° | 175.0° |
| C5 | C4 | C3 | H17 | 49.9° | 54.9° |
| C19 | C18 | C17 | H25 | 180.0° | 180.0° |
| C19 | C18 | C17 | S1 | 179.7° | 179.7° |
| C18 | C19 | C20 | H26 | 180.0° | 180.0° |
| C19 | C18 | C17 | C22 | 0.2° | 0.0° |
| C18 | C19 | C20 | C21 | 0.1° | 0.0° |
| C18 | C19 | C20 | H27 | 179.9° | 180.0° |
| C18 | C17 | S1 | C22 | 179.5° | 179.8° |
| C18 | C17 | S1 | C16 | 121.2° | 0.3° |
| C17 | C18 | C19 | C20 | 0.1° | 0.1° |
| C18 | C17 | C22 | C21 | 0.2° | 0.0° |
| C17 | C18 | C19 | H26 | 179.8° | 180.0° |
| C18 | C17 | C22 | H29 | 179.8° | 180.0° |
| C6 | C4 | C3 | H2 | 118.3° | 119.9° |
| C6 | C4 | C3 | C2 | 66.5° | 174.9° |
| C6 | C4 | C5 | H3 | 180.0° | 54.3° |
| C6 | C4 | C5 | H4 | 60.0° | 174.3° |
| C6 | C4 | C5 | H5 | 60.0° | 65.7° |
| C4 | C6 | H6 | H7 | 120.0° | 120.0° |
| C4 | C6 | H6 | H8 | 120.0° | 119.9° |
| C4 | C6 | H7 | H8 | 120.0° | 120.0° |
| C6 | C4 | C3 | H16 | 54.1° | 54.9° |
| C6 | C4 | C3 | H17 | 172.9° | 65.1° |
| C4 | C3 | C2 | H16 | 120.6° | 120.0° |
| C4 | C3 | C2 | H17 | 120.6° | 120.0° |
| C4 | C3 | C2 | N1 | 61.2° | 177.7° |
| C4 | C3 | C2 | C7 | 175.3° | 62.3° |
| C3 | C4 | C5 | H3 | 57.0° | 174.3° |
| C3 | C4 | C5 | H4 | 63.0° | 65.7° |
| C3 | C4 | C5 | H5 | 177.0° | 54.3° |
| C3 | C4 | C6 | H6 | 56.5° | 60.0° |
| C3 | C4 | C6 | H7 | 176.5° | 180.0° |
| C3 | C4 | C6 | H8 | 63.5° | 60.0° |
| C4 | C3 | C2 | H15 | 57.0° | 57.7° |
| C4 | C3 | H16 | H17 | 118.1° | 120.0° |
| S1 | C17 | C22 | C21 | 179.7° | 179.7° |
| C17 | S1 | C16 | C15 | 78.0° | 180.0° |
| C17 | S1 | C16 | H23 | 161.5° | 59.9° |
| C17 | S1 | C16 | H24 | 42.4° | 60.0° |
| S1 | C17 | C18 | H25 | 0.3° | 0.2° |
| S1 | C17 | C22 | H29 | 0.3° | 0.2° |
| C16 | S1 | C17 | C22 | 59.3° | 180.0° |
| S1 | C16 | C15 | H23 | 120.5° | 120.1° |
| S1 | C16 | C15 | H24 | 120.5° | 120.0° |
| S1 | C16 | C15 | O5 | 65.9° | 180.0° |
| S1 | C16 | C15 | H21 | 174.8° | 60.0° |
| S1 | C16 | C15 | H22 | 53.5° | 60.0° |
| S1 | C16 | H23 | H24 | 118.6° | 119.9° |
| C19 | C20 | C21 | H27 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 0.2° | 0.0° |
| C20 | C19 | C18 | H25 | 179.9° | 180.0° |
| C19 | C20 | C21 | H28 | 179.8° | 179.9° |
| C17 | C22 | C21 | C20 | 0.2° | 0.0° |
| C17 | C22 | C21 | H29 | 180.0° | 180.0° |
| C22 | C17 | C18 | H25 | 179.9° | 180.0° |
| C17 | C22 | C21 | H28 | 179.8° | 179.9° |
| C20 | C21 | C22 | H28 | 180.0° | 179.9° |
| C21 | C20 | C19 | H26 | 179.8° | 180.0° |
| C20 | C21 | C22 | H29 | 179.8° | 180.0° |
| C22 | C21 | C20 | H27 | 179.9° | 180.0° |
| C3 | C2 | N1 | C7 | 123.8° | 120.0° |
| C3 | C2 | N1 | H15 | 117.5° | 120.0° |
| C3 | C2 | N1 | C1 | 167.9° | 82.1° |
| C3 | C2 | C7 | H15 | 118.3° | 120.0° |
| C3 | C2 | C7 | O4 | 85.9° | 97.7° |
| C3 | C2 | C7 | N2 | 96.2° | 82.3° |
| C3 | C2 | N1 | H1 | 12.2° | 97.6° |
| C2 | C3 | C4 | H2 | 51.8° | 55.0° |
| C2 | C3 | H16 | H17 | 118.1° | 120.0° |
| C16 | C15 | O5 | C1 | 159.5° | 180.0° |
| C16 | C15 | O5 | H21 | 119.3° | 120.0° |
| C16 | C15 | O5 | H22 | 119.4° | 120.0° |
| C16 | C15 | H21 | H22 | 121.9° | 120.0° |
| C15 | C16 | H23 | H24 | 118.6° | 120.0° |
| C2 | N1 | C1 | H1 | 180.0° | 179.7° |
| C2 | N1 | C1 | O5 | 171.8° | 174.9° |
| N1 | C2 | C7 | H15 | 119.3° | 120.0° |
| C2 | N1 | C1 | O1 | 9.5° | 5.1° |
| N1 | C2 | C7 | O4 | 36.5° | 22.3° |
| N1 | C2 | C7 | N2 | 141.4° | 157.7° |
| N1 | C2 | C3 | H16 | 178.2° | 62.3° |
| N1 | C2 | C3 | H17 | 59.5° | 57.7° |
| N1 | C1 | O5 | O1 | 178.7° | 180.0° |
| N1 | C1 | O5 | C15 | 168.8° | 180.0° |
| C1 | N1 | C2 | C7 | 68.3° | 157.9° |
| C1 | N1 | C2 | H15 | 50.3° | 37.9° |
| O5 | C1 | N1 | H1 | 8.2° | 4.8° |
| C1 | O5 | C15 | H21 | 81.2° | 60.0° |
| C1 | O5 | C15 | H22 | 40.1° | 60.0° |
| C15 | O5 | C1 | O1 | 9.9° | 0.0° |
| O5 | C15 | H21 | H22 | 121.9° | 120.0° |
| O5 | C15 | C16 | H23 | 54.6° | 60.0° |
| O5 | C15 | C16 | H24 | 173.7° | 60.0° |
| C2 | C7 | O4 | N2 | 177.8° | 180.0° |
| C2 | C7 | N2 | C8 | 177.0° | 174.9° |
| C7 | C2 | N1 | H1 | 111.6° | 22.4° |
| C7 | C2 | C3 | H16 | 54.6° | 57.8° |
| C7 | C2 | C3 | H17 | 64.1° | 177.8° |
| C2 | C7 | N2 | H30 | 3.0° | 5.1° |
| O1 | C1 | N1 | H1 | 170.6° | 175.2° |
| O4 | C7 | N2 | C8 | 5.1° | 5.0° |
| O4 | C7 | C2 | H15 | 155.8° | 142.3° |
| O4 | C7 | N2 | H30 | 174.9° | 175.0° |
| C7 | N2 | C8 | H30 | 180.0° | 180.0° |
| C7 | N2 | C8 | C14 | 117.6° | 91.6° |
| C7 | N2 | C8 | C9 | 118.5° | 148.5° |
| C7 | N2 | C8 | H9 | 0.5° | 28.5° |
| N2 | C7 | C2 | H15 | 22.1° | 37.7° |
| N2 | C8 | C14 | S2 | 59.7° | 175.5° |
| N2 | C8 | C14 | C9 | 123.0° | 120.0° |
| N2 | C8 | C14 | H9 | 118.5° | 120.0° |
| N2 | C8 | C9 | H9 | 118.6° | 120.0° |
| N2 | C8 | C14 | O3 | 175.1° | 55.5° |
| N2 | C8 | C9 | C10 | 70.7° | 61.3° |
| N2 | C8 | C9 | H18 | 49.7° | 58.7° |
| N2 | C8 | C9 | H19 | 168.9° | 178.8° |
| N2 | C8 | C14 | H20 | 54.3° | 64.4° |
| S2 | C14 | C8 | O3 | 125.1° | 120.0° |
| S2 | C14 | C8 | H20 | 114.0° | 120.1° |
| S2 | C14 | C8 | C9 | 63.2° | 64.5° |
| S2 | C14 | O3 | H20 | 117.8° | 120.0° |
| S2 | C14 | C8 | H9 | 178.3° | 55.5° |
| S2 | C14 | O3 | H32 | 180.0° | 180.0° |
| C14 | S2 | O6 | O7 | 167.5° | 111.7° |
| C14 | S2 | O6 | O8 | 167.5° | 131.6° |
| C14 | S2 | O7 | O8 | 90.0° | 116.1° |
| C14 | S2 | O7 | H34 | 90.0° | 180.0° |
| C14 | C8 | C9 | H9 | 118.6° | 120.0° |
| C8 | C14 | O3 | H20 | 120.0° | 120.0° |
| C14 | C8 | C9 | C10 | 166.5° | 178.7° |
| C14 | C8 | C9 | H18 | 73.1° | 61.3° |
| C14 | C8 | C9 | H19 | 46.1° | 58.7° |
| C14 | C8 | N2 | H30 | 62.4° | 88.5° |
| C8 | C14 | O3 | H32 | 57.9° | 60.0° |
| C8 | C14 | S2 | O6 | 169.1° | 42.0° |
| C8 | C14 | S2 | O7 | 1.5° | 69.6° |
| C8 | C14 | S2 | O8 | 1.5° | 178.8° |
| C9 | C8 | C14 | O3 | 61.9° | 175.5° |
| C8 | C9 | C10 | H18 | 120.4° | 120.0° |
| C8 | C9 | C10 | H19 | 120.4° | 120.0° |
| C8 | C9 | C10 | C13 | 64.1° | 65.7° |
| C8 | C9 | C10 | C11 | 177.8° | 179.6° |
| C8 | C9 | C10 | H10 | 57.4° | 56.9° |
| C8 | C9 | H18 | H19 | 118.8° | 120.0° |
| C9 | C8 | C14 | H20 | 177.3° | 55.6° |
| C9 | C8 | N2 | H30 | 61.4° | 31.5° |
| O3 | C14 | C8 | H9 | 56.6° | 64.5° |
| O3 | C14 | S2 | O6 | 45.5° | 78.0° |
| O3 | C14 | S2 | O7 | 125.1° | 170.4° |
| O3 | C14 | S2 | O8 | 125.1° | 58.8° |
| C9 | C10 | C13 | C11 | 123.2° | 118.7° |
| C9 | C10 | C13 | H10 | 121.5° | 122.6° |
| C9 | C10 | C11 | H10 | 120.3° | 122.7° |
| C9 | C10 | C13 | C12 | 146.4° | 143.5° |
| C9 | C10 | C11 | O2 | 47.2° | 45.0° |
| C9 | C10 | C11 | N3 | 134.1° | 134.9° |
| C10 | C9 | C8 | H9 | 47.9° | 58.7° |
| C9 | C10 | C13 | H11 | 27.2° | 25.4° |
| C9 | C10 | C13 | H12 | 94.5° | 98.4° |
| C10 | C9 | H18 | H19 | 118.8° | 119.9° |
| C13 | C10 | C11 | H10 | 115.2° | 118.7° |
| C10 | C13 | C12 | H11 | 119.2° | 118.2° |
| C10 | C13 | C12 | H12 | 119.1° | 118.0° |
| C13 | C10 | C11 | O2 | 171.6° | 163.7° |
| C13 | C10 | C11 | N3 | 9.7° | 16.3° |
| C10 | C13 | C12 | N3 | 27.8° | 25.4° |
| C10 | C13 | H11 | H12 | 122.4° | 123.8° |
| C10 | C13 | C12 | H13 | 146.6° | 144.4° |
| C10 | C13 | C12 | H14 | 91.1° | 93.6° |
| C13 | C10 | C9 | H18 | 175.5° | 174.3° |
| C13 | C10 | C9 | H19 | 56.3° | 54.3° |
| C11 | C10 | C13 | C12 | 23.2° | 24.8° |
| C10 | C11 | O2 | N3 | 178.5° | 179.9° |
| C10 | C11 | N3 | C12 | 9.0° | 0.4° |
| C11 | C10 | C13 | H11 | 96.0° | 93.3° |
| C11 | C10 | C13 | H12 | 142.3° | 142.9° |
| C11 | C10 | C9 | H18 | 57.4° | 59.5° |
| C11 | C10 | C9 | H19 | 61.8° | 60.4° |
| C10 | C11 | N3 | H31 | 171.0° | 179.6° |
| C13 | C12 | N3 | C11 | 23.6° | 17.0° |
| C13 | C12 | N3 | H13 | 118.9° | 119.0° |
| C13 | C12 | N3 | H14 | 118.8° | 119.0° |
| C12 | C13 | C10 | H10 | 92.1° | 93.8° |
| C12 | C13 | H11 | H12 | 122.4° | 123.8° |
| C13 | C12 | H13 | H14 | 123.3° | 122.0° |
| C13 | C12 | N3 | H31 | 156.4° | 162.9° |
| O2 | C11 | N3 | C12 | 169.7° | 179.7° |
| O2 | C11 | C10 | H10 | 73.2° | 77.7° |
| O2 | C11 | N3 | H31 | 10.3° | 0.3° |
| C11 | N3 | C12 | H31 | 180.0° | 180.0° |
| N3 | C11 | C10 | H10 | 105.5° | 102.4° |
| C11 | N3 | C12 | H13 | 142.5° | 136.0° |
| C11 | N3 | C12 | H14 | 95.2° | 102.0° |
| N3 | C12 | C13 | H11 | 91.4° | 92.7° |
| N3 | C12 | C13 | H12 | 146.9° | 143.5° |
| N3 | C12 | H13 | H14 | 123.3° | 121.9° |
| H1 | N1 | C2 | H15 | 129.7° | 142.4° |
| H2 | C4 | C5 | H3 | 61.7° | 65.7° |
| H2 | C4 | C5 | H4 | 178.3° | 54.3° |
| H2 | C4 | C5 | H5 | 58.3° | 174.3° |
| H2 | C4 | C6 | H6 | 61.7° | 60.0° |
| H2 | C4 | C6 | H7 | 58.3° | 60.0° |
| H2 | C4 | C6 | H8 | 178.3° | 180.0° |
| H2 | C4 | C3 | H16 | 172.4° | 65.0° |
| H2 | C4 | C3 | H17 | 68.8° | 174.9° |
| H3 | C5 | H4 | H5 | 120.0° | 120.0° |
| H6 | C6 | H7 | H8 | 120.0° | 120.0° |
| H9 | C8 | C9 | H18 | 168.3° | 178.7° |
| H9 | C8 | C9 | H19 | 72.5° | 61.3° |
| H9 | C8 | C14 | H20 | 64.2° | 175.5° |
| H9 | C8 | N2 | H30 | 179.5° | 151.5° |
| H10 | C10 | C13 | H11 | 148.7° | 148.0° |
| H10 | C10 | C13 | H12 | 27.0° | 24.2° |
| H10 | C10 | C9 | H18 | 63.0° | 63.1° |
| H10 | C10 | C9 | H19 | 177.9° | 176.9° |
| H11 | C13 | C12 | H13 | 27.4° | 26.2° |
| H11 | C13 | C12 | H14 | 149.8° | 148.3° |
| H12 | C13 | C12 | H13 | 94.2° | 97.6° |
| H12 | C13 | C12 | H14 | 28.1° | 24.5° |
| H13 | C12 | N3 | H31 | 37.5° | 44.0° |
| H14 | C12 | N3 | H31 | 84.8° | 78.0° |
| H15 | C2 | C3 | H16 | 63.7° | 177.8° |
| H15 | C2 | C3 | H17 | 177.6° | 62.2° |
| H20 | C14 | O3 | H32 | 62.2° | 60.0° |
| H20 | C14 | S2 | O6 | 74.8° | 162.1° |
| H20 | C14 | S2 | O7 | 114.6° | 50.5° |
| H20 | C14 | S2 | O8 | 114.6° | 61.1° |
| H21 | C15 | C16 | H23 | 64.8° | 60.1° |
| H21 | C15 | C16 | H24 | 54.3° | 180.0° |
| H22 | C15 | C16 | H23 | 173.9° | 180.0° |
| H22 | C15 | C16 | H24 | 67.0° | 60.0° |
| H25 | C18 | C19 | H26 | 0.1° | 0.0° |
| H26 | C19 | C20 | H27 | 0.1° | 0.0° |
| H27 | C20 | C21 | H28 | 0.1° | 0.1° |
| H28 | C21 | C22 | H29 | 0.2° | 0.1° |
| O6 | S2 | O7 | O8 | 90.0° | 127.8° |
| O6 | S2 | O7 | H34 | 90.0° | 63.9° |
| O8 | S2 | O7 | H34 | 90.0° | 63.9° |
