UTU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | C4 | sing | 1.53Å | 1.52Å | |
| C20 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | C19 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| S1 | C19 | sing | 1.76Å | 1.77Å | |
| S1 | C16 | sing | 1.81Å | 1.86Å | |
| C21 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | C24 | doub | 1.39Å | 1.39Å | Aromatic |
| C22 | C23 | doub | 1.39Å | 1.37Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.38Å | Aromatic |
| C23 | F1 | sing | 1.35Å | 1.36Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C18 | C16 | sing | 1.53Å | 1.52Å | |
| C16 | C15 | sing | 1.53Å | 1.50Å | |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| C15 | O5 | sing | 1.45Å | 1.45Å | |
| N1 | C2 | sing | 1.47Å | 1.45Å | |
| N1 | C1 | sing | 1.35Å | 1.35Å | |
| C2 | C7 | sing | 1.51Å | 1.53Å | |
| O5 | C1 | sing | 1.35Å | 1.34Å | |
| C1 | O1 | doub | 1.21Å | 1.21Å | |
| C7 | O4 | doub | 1.21Å | 1.23Å | |
| C7 | N2 | sing | 1.35Å | 1.34Å | |
| N2 | C8 | sing | 1.46Å | 1.46Å | |
| O3 | C14 | sing | 1.43Å | 1.42Å | |
| C8 | C14 | sing | 1.53Å | 1.52Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| 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 | |
| C12 | N3 | sing | 1.47Å | 1.46Å | |
| C11 | O2 | doub | 1.21Å | 1.24Å | |
| C11 | N3 | sing | 1.34Å | 1.33Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| N3 | H3 | sing | 0.97Å | 1.00Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C15 | H21 | sing | 1.09Å | 1.10Å | |
| C17 | H22 | sing | 1.09Å | 1.10Å | |
| C17 | H23 | sing | 1.09Å | 1.10Å | |
| C17 | H24 | sing | 1.09Å | 1.10Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C18 | H27 | sing | 1.09Å | 1.10Å | |
| C20 | H28 | sing | 1.08Å | 1.08Å | |
| C21 | H29 | sing | 1.08Å | 1.08Å | |
| C22 | H30 | sing | 1.08Å | 1.08Å | |
| C24 | H31 | sing | 1.08Å | 1.08Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C3 | H33 | sing | 1.09Å | 1.10Å | |
| C9 | H34 | sing | 1.09Å | 1.10Å | |
| C9 | H35 | sing | 1.09Å | 1.10Å | |
| O3 | H36 | sing | 0.97Å | 0.95Å | |
| C14 | S2 | sing | 1.81Å | 35.81Å | |
| S2 | O6 | doub | 1.42Å | 0.00Å | |
| S2 | O7 | doub | 1.42Å | 0.00Å | |
| S2 | O8 | sing | 1.52Å | 0.00Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| N2 | H11 | sing | 0.97Å | 1.00Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| O8 | H19 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C4 | C5 | 110.4° | 109.5° |
| C6 | C4 | C3 | 110.9° | 109.4° |
| C6 | C4 | H4 | 108.2° | 109.5° |
| C4 | C6 | H8 | 109.5° | 109.5° |
| C4 | C6 | H9 | 109.5° | 109.5° |
| C4 | C6 | H10 | 109.5° | 109.4° |
| C21 | C20 | C19 | 120.3° | 120.0° |
| C20 | C21 | C22 | 121.2° | 120.1° |
| C21 | C20 | H28 | 119.9° | 120.0° |
| C20 | C21 | H29 | 119.4° | 119.9° |
| C20 | C19 | S1 | 119.5° | 120.1° |
| C20 | C19 | C24 | 118.6° | 119.8° |
| C19 | C20 | H28 | 119.8° | 120.0° |
| C5 | C4 | C3 | 110.8° | 109.4° |
| C5 | C4 | H4 | 108.3° | 109.5° |
| C4 | C5 | H5 | 109.5° | 109.5° |
| C4 | C5 | H6 | 109.5° | 109.4° |
| C4 | C5 | H7 | 109.5° | 109.5° |
| C4 | C3 | C2 | 115.2° | 109.4° |
| C3 | C4 | H4 | 108.2° | 109.4° |
| C4 | C3 | H32 | 108.0° | 109.5° |
| C4 | C3 | H33 | 108.0° | 109.5° |
| C19 | S1 | C16 | 107.9° | 103.0° |
| S1 | C19 | C24 | 121.9° | 120.1° |
| S1 | C16 | C18 | 108.1° | 109.5° |
| S1 | C16 | C15 | 113.3° | 109.4° |
| S1 | C16 | C17 | 108.5° | 109.5° |
| C21 | C22 | C23 | 117.7° | 120.2° |
| C22 | C21 | H29 | 119.4° | 120.0° |
| C21 | C22 | H30 | 121.1° | 119.9° |
| C19 | C24 | C23 | 119.4° | 119.9° |
| C19 | C24 | H31 | 120.3° | 120.0° |
| C22 | C23 | C24 | 122.8° | 120.0° |
| C22 | C23 | F1 | 118.9° | 120.0° |
| C23 | C22 | H30 | 121.2° | 119.9° |
| C24 | C23 | F1 | 118.3° | 120.0° |
| C23 | C24 | H31 | 120.3° | 120.1° |
| C3 | C2 | N1 | 111.2° | 109.4° |
| C3 | C2 | C7 | 110.8° | 109.5° |
| C3 | C2 | H2 | 106.9° | 109.5° |
| C2 | C3 | H32 | 108.0° | 109.5° |
| C2 | C3 | H33 | 108.0° | 109.5° |
| C18 | C16 | C15 | 107.2° | 109.5° |
| C18 | C16 | C17 | 110.7° | 109.5° |
| C16 | C18 | H25 | 109.5° | 109.4° |
| C16 | C18 | H26 | 109.5° | 109.5° |
| C16 | C18 | H27 | 109.5° | 109.4° |
| C15 | C16 | C17 | 109.1° | 109.5° |
| C16 | C15 | O5 | 102.9° | 109.5° |
| C16 | C15 | H20 | 111.1° | 109.5° |
| C16 | C15 | H21 | 111.1° | 109.5° |
| C16 | C17 | H22 | 109.5° | 109.4° |
| C16 | C17 | H23 | 109.4° | 109.5° |
| C16 | C17 | H24 | 109.4° | 109.5° |
| C15 | O5 | C1 | 117.3° | 117.0° |
| O5 | C15 | H20 | 111.1° | 109.4° |
| O5 | C15 | H21 | 111.1° | 109.4° |
| C2 | N1 | C1 | 119.7° | 120.0° |
| N1 | C2 | C7 | 112.9° | 109.5° |
| C2 | N1 | H1 | 120.1° | 120.0° |
| N1 | C2 | H2 | 107.8° | 109.5° |
| N1 | C1 | O5 | 111.0° | 120.0° |
| N1 | C1 | O1 | 124.7° | 120.0° |
| C1 | N1 | H1 | 120.2° | 120.0° |
| C2 | C7 | O4 | 120.6° | 120.0° |
| C2 | C7 | N2 | 116.1° | 120.0° |
| C7 | C2 | H2 | 106.9° | 109.5° |
| O5 | C1 | O1 | 124.3° | 120.1° |
| O4 | C7 | N2 | 123.3° | 120.0° |
| C7 | N2 | C8 | 124.4° | 120.0° |
| C7 | N2 | H11 | 117.8° | 120.0° |
| N2 | C8 | C14 | 110.1° | 109.5° |
| N2 | C8 | C9 | 110.3° | 109.4° |
| C8 | N2 | H11 | 117.8° | 120.0° |
| N2 | C8 | H12 | 109.0° | 109.5° |
| O3 | C14 | C8 | 109.9° | 109.5° |
| O3 | C14 | H18 | 126.4° | 109.4° |
| C14 | O3 | H36 | 109.5° | 114.0° |
| O3 | C14 | S2 | 126.6° | 109.5° |
| C14 | C8 | C9 | 110.7° | 109.4° |
| C8 | C14 | H18 | 123.6° | 109.5° |
| C8 | C14 | S2 | 52.8° | 109.5° |
| C14 | C8 | H12 | 108.4° | 109.5° |
| C8 | C9 | C10 | 113.2° | 109.5° |
| C8 | C9 | H34 | 108.5° | 109.5° |
| C8 | C9 | H35 | 108.5° | 109.5° |
| C9 | C8 | H12 | 108.2° | 109.5° |
| C9 | C10 | C13 | 117.0° | 110.4° |
| C9 | C10 | C11 | 114.8° | 110.5° |
| C9 | C10 | H13 | 107.4° | 110.5° |
| C10 | C9 | H34 | 108.5° | 109.4° |
| C10 | C9 | H35 | 108.5° | 109.5° |
| C13 | C10 | C11 | 102.0° | 104.2° |
| C10 | C13 | C12 | 103.1° | 101.7° |
| C13 | C10 | H13 | 107.5° | 110.5° |
| C10 | C13 | H16 | 111.0° | 111.0° |
| C10 | C13 | H17 | 111.1° | 111.0° |
| C10 | C11 | O2 | 126.0° | 124.9° |
| C10 | C11 | N3 | 108.1° | 110.2° |
| C11 | C10 | H13 | 107.6° | 110.5° |
| C13 | C12 | N3 | 102.2° | 105.5° |
| C13 | C12 | H14 | 111.3° | 110.2° |
| C13 | C12 | H15 | 111.3° | 110.3° |
| C12 | C13 | H16 | 111.0° | 111.0° |
| C12 | C13 | H17 | 111.0° | 111.0° |
| C12 | N3 | C11 | 113.2° | 111.3° |
| C12 | N3 | H3 | 123.4° | 124.4° |
| N3 | C12 | H14 | 111.2° | 110.3° |
| N3 | C12 | H15 | 111.3° | 110.2° |
| O2 | C11 | N3 | 125.9° | 124.9° |
| C11 | N3 | H3 | 123.4° | 124.4° |
| H5 | C5 | H6 | 109.5° | 109.5° |
| H5 | C5 | H7 | 109.5° | 109.5° |
| H14 | C12 | H15 | 109.4° | 110.2° |
| H16 | C13 | H17 | 109.5° | 110.9° |
| H18 | C14 | S2 | 91.4° | 109.5° |
| H20 | C15 | H21 | 109.4° | 109.5° |
| H22 | C17 | H23 | 109.4° | 109.5° |
| H22 | C17 | H24 | 109.5° | 109.5° |
| H23 | C17 | H24 | 109.5° | 109.5° |
| H25 | C18 | H26 | 109.4° | 109.5° |
| H25 | C18 | H27 | 109.5° | 109.4° |
| H26 | C18 | H27 | 109.5° | 109.5° |
| H32 | C3 | H33 | 109.4° | 109.5° |
| H34 | C9 | H35 | 109.5° | 109.4° |
| C14 | S2 | O6 | 90.0° | 110.5° |
| C14 | S2 | O7 | 90.0° | 110.5° |
| C14 | S2 | O8 | 90.0° | 104.4° |
| O6 | S2 | O7 | 90.0° | 121.0° |
| O6 | S2 | O8 | 90.0° | 104.3° |
| O7 | S2 | O8 | 90.0° | 104.3° |
| S2 | O8 | H19 | 90.0° | 114.0° |
| H6 | C5 | H7 | 109.5° | 109.5° |
| H8 | C6 | H9 | 109.5° | 109.5° |
| H8 | C6 | H10 | 109.4° | 109.5° |
| H9 | C6 | H10 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C4 | C5 | C3 | 123.2° | 119.9° |
| C6 | C4 | C5 | H4 | 118.3° | 120.1° |
| C6 | C4 | C3 | H4 | 118.6° | 120.0° |
| C6 | C4 | C3 | C2 | 180.0° | 172.7° |
| C6 | C4 | C5 | H5 | 180.0° | 55.8° |
| C6 | C4 | C3 | H32 | 59.1° | 67.3° |
| C6 | C4 | C3 | H33 | 59.2° | 52.8° |
| C6 | C4 | C5 | H6 | 60.0° | 64.2° |
| C6 | C4 | C5 | H7 | 60.0° | 175.8° |
| C4 | C6 | H8 | H9 | 120.0° | 120.0° |
| C4 | C6 | H8 | H10 | 120.0° | 120.0° |
| C4 | C6 | H9 | H10 | 120.0° | 119.9° |
| C21 | C20 | C19 | H28 | 180.0° | 179.9° |
| C21 | C20 | C19 | S1 | 179.8° | 179.8° |
| C20 | C21 | C22 | H29 | 180.0° | 179.9° |
| C21 | C20 | C19 | C24 | 0.6° | 0.0° |
| C20 | C21 | C22 | C23 | 0.1° | 0.0° |
| C20 | C21 | C22 | H30 | 180.0° | 180.0° |
| C20 | C19 | S1 | C24 | 179.2° | 179.7° |
| C20 | C19 | S1 | C16 | 135.7° | 5.4° |
| C19 | C20 | C21 | C22 | 0.2° | 0.0° |
| C20 | C19 | C24 | C23 | 0.8° | 0.0° |
| C19 | C20 | C21 | H29 | 179.8° | 180.0° |
| C20 | C19 | C24 | H31 | 179.1° | 180.0° |
| C5 | C4 | C3 | H4 | 118.6° | 120.0° |
| C5 | C4 | C3 | C2 | 57.1° | 67.3° |
| C4 | C5 | H5 | H6 | 120.0° | 119.9° |
| C4 | C5 | H5 | H7 | 120.0° | 120.0° |
| C5 | C4 | C3 | H32 | 63.8° | 52.7° |
| C5 | C4 | C3 | H33 | 177.9° | 172.8° |
| C4 | C5 | H6 | H7 | 120.0° | 120.0° |
| C5 | C4 | C6 | H8 | 180.0° | 60.0° |
| C5 | C4 | C6 | H9 | 60.0° | 180.0° |
| C5 | C4 | C6 | H10 | 60.0° | 60.1° |
| C4 | C3 | C2 | H32 | 120.8° | 120.0° |
| C4 | C3 | C2 | H33 | 120.9° | 120.0° |
| C4 | C3 | C2 | N1 | 66.4° | 165.9° |
| C4 | C3 | C2 | C7 | 167.2° | 74.1° |
| C4 | C3 | C2 | H2 | 51.1° | 45.9° |
| C3 | C4 | C5 | H5 | 56.8° | 64.2° |
| C4 | C3 | H32 | H33 | 117.4° | 120.0° |
| C3 | C4 | C5 | H6 | 176.8° | 175.8° |
| C3 | C4 | C5 | H7 | 63.2° | 55.8° |
| C3 | C4 | C6 | H8 | 56.9° | 60.0° |
| C3 | C4 | C6 | H9 | 63.1° | 60.1° |
| C3 | C4 | C6 | H10 | 176.9° | 180.0° |
| S1 | C19 | C24 | C23 | 180.0° | 179.7° |
| C19 | S1 | C16 | C18 | 75.4° | 55.5° |
| C19 | S1 | C16 | C15 | 166.0° | 175.4° |
| C19 | S1 | C16 | C17 | 44.7° | 64.6° |
| S1 | C19 | C20 | H28 | 0.2° | 0.3° |
| S1 | C19 | C24 | H31 | 0.0° | 0.2° |
| C16 | S1 | C19 | C24 | 45.2° | 174.4° |
| S1 | C16 | C18 | C15 | 122.5° | 120.0° |
| S1 | C16 | C18 | C17 | 118.7° | 120.0° |
| S1 | C16 | C15 | C17 | 120.9° | 120.0° |
| S1 | C16 | C15 | O5 | 174.4° | 180.0° |
| S1 | C16 | C15 | H20 | 66.7° | 60.1° |
| S1 | C16 | C15 | H21 | 55.4° | 60.1° |
| S1 | C16 | C17 | H22 | 180.0° | 166.1° |
| S1 | C16 | C17 | H23 | 60.0° | 46.1° |
| S1 | C16 | C17 | H24 | 60.0° | 73.9° |
| S1 | C16 | C18 | H25 | 180.0° | 71.6° |
| S1 | C16 | C18 | H26 | 60.0° | 48.4° |
| S1 | C16 | C18 | H27 | 60.0° | 168.5° |
| C21 | C22 | C23 | H30 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 0.3° | 0.0° |
| C21 | C22 | C23 | F1 | 180.0° | 180.0° |
| C22 | C21 | C20 | H28 | 179.8° | 179.9° |
| C19 | C24 | C23 | C22 | 0.7° | 0.0° |
| C19 | C24 | C23 | H31 | 180.0° | 180.0° |
| C19 | C24 | C23 | F1 | 179.6° | 180.0° |
| C24 | C19 | C20 | H28 | 179.4° | 179.9° |
| C22 | C23 | C24 | F1 | 179.6° | 180.0° |
| C23 | C22 | C21 | H29 | 179.9° | 179.9° |
| C22 | C23 | C24 | H31 | 179.2° | 180.0° |
| C24 | C23 | C22 | H30 | 179.7° | 180.0° |
| F1 | C23 | C22 | H30 | 0.1° | 0.0° |
| F1 | C23 | C24 | H31 | 0.4° | 0.0° |
| C3 | C2 | N1 | C7 | 125.3° | 120.0° |
| C3 | C2 | N1 | H2 | 116.9° | 120.0° |
| C3 | C2 | N1 | C1 | 177.6° | 81.6° |
| C3 | C2 | C7 | H2 | 116.1° | 120.0° |
| C3 | C2 | C7 | O4 | 60.7° | 113.7° |
| C3 | C2 | C7 | N2 | 119.4° | 66.3° |
| C3 | C2 | N1 | H1 | 2.4° | 98.6° |
| C2 | C3 | C4 | H4 | 61.5° | 52.7° |
| C2 | C3 | H32 | H33 | 117.4° | 120.0° |
| C18 | C16 | C15 | C17 | 119.9° | 120.0° |
| C18 | C16 | C15 | O5 | 66.5° | 60.0° |
| C18 | C16 | C15 | H20 | 52.5° | 180.0° |
| C18 | C16 | C15 | H21 | 174.6° | 59.9° |
| C18 | C16 | C17 | H22 | 61.6° | 46.1° |
| C18 | C16 | C17 | H23 | 178.5° | 73.9° |
| C18 | C16 | C17 | H24 | 58.5° | 166.1° |
| C16 | C18 | H25 | H26 | 120.0° | 120.0° |
| C16 | C18 | H25 | H27 | 120.0° | 119.9° |
| C16 | C18 | H26 | H27 | 120.0° | 120.0° |
| C16 | C15 | O5 | H20 | 119.0° | 120.0° |
| C16 | C15 | O5 | H21 | 119.0° | 120.0° |
| C16 | C15 | O5 | C1 | 175.3° | 180.0° |
| C16 | C15 | H20 | H21 | 123.1° | 120.1° |
| C15 | C16 | C17 | H22 | 56.1° | 73.9° |
| C15 | C16 | C17 | H23 | 63.9° | 166.1° |
| C15 | C16 | C17 | H24 | 176.2° | 46.1° |
| C15 | C16 | C18 | H25 | 57.6° | 48.3° |
| C15 | C16 | C18 | H26 | 177.5° | 168.4° |
| C15 | C16 | C18 | H27 | 62.5° | 71.6° |
| C17 | C16 | C15 | O5 | 53.4° | 60.0° |
| C17 | C16 | C15 | H20 | 172.4° | 59.9° |
| C17 | C16 | C15 | H21 | 65.5° | 180.0° |
| C16 | C17 | H22 | H23 | 120.0° | 120.0° |
| C16 | C17 | H22 | H24 | 120.0° | 120.0° |
| C16 | C17 | H23 | H24 | 120.0° | 120.0° |
| C17 | C16 | C18 | H25 | 61.3° | 168.4° |
| C17 | C16 | C18 | H26 | 58.7° | 71.6° |
| C17 | C16 | C18 | H27 | 178.7° | 48.4° |
| C15 | O5 | C1 | N1 | 8.4° | 180.0° |
| C15 | O5 | C1 | O1 | 173.5° | 0.0° |
| O5 | C15 | H20 | H21 | 123.0° | 119.9° |
| C2 | N1 | C1 | H1 | 180.0° | 179.7° |
| N1 | C2 | C7 | H2 | 118.3° | 120.0° |
| C2 | N1 | C1 | O5 | 173.0° | 175.1° |
| C2 | N1 | C1 | O1 | 5.1° | 4.9° |
| N1 | C2 | C7 | O4 | 64.8° | 6.3° |
| N1 | C2 | C7 | N2 | 115.1° | 173.7° |
| N1 | C2 | C3 | H32 | 172.8° | 45.9° |
| N1 | C2 | C3 | H33 | 54.5° | 74.1° |
| C1 | N1 | C2 | C7 | 57.1° | 158.4° |
| N1 | C1 | O5 | O1 | 178.1° | 180.0° |
| C1 | N1 | C2 | H2 | 60.7° | 38.4° |
| C2 | C7 | O4 | N2 | 179.9° | 180.0° |
| C2 | C7 | N2 | C8 | 179.7° | 174.3° |
| C7 | C2 | N1 | H1 | 122.9° | 21.4° |
| C7 | C2 | C3 | H32 | 46.3° | 165.9° |
| C7 | C2 | C3 | H33 | 72.0° | 45.9° |
| C2 | C7 | N2 | H11 | 0.3° | 5.8° |
| O5 | C1 | N1 | H1 | 7.0° | 5.2° |
| C1 | O5 | C15 | H20 | 56.3° | 60.0° |
| C1 | O5 | C15 | H21 | 65.7° | 60.0° |
| O1 | C1 | N1 | H1 | 174.8° | 174.8° |
| O4 | C7 | N2 | C8 | 0.4° | 5.7° |
| O4 | C7 | C2 | H2 | 176.9° | 126.3° |
| O4 | C7 | N2 | H11 | 179.6° | 174.3° |
| C7 | N2 | C8 | H11 | 180.0° | 180.0° |
| C7 | N2 | C8 | C14 | 114.9° | 90.7° |
| C7 | N2 | C8 | C9 | 122.6° | 149.4° |
| N2 | C7 | C2 | H2 | 3.2° | 53.7° |
| C7 | N2 | C8 | H12 | 3.9° | 29.3° |
| N2 | C8 | C14 | O3 | 64.9° | 65.1° |
| N2 | C8 | C14 | C9 | 122.3° | 120.0° |
| N2 | C8 | C14 | H12 | 119.2° | 120.1° |
| N2 | C8 | C9 | H12 | 119.2° | 120.0° |
| N2 | C8 | C9 | C10 | 63.7° | 65.2° |
| N2 | C8 | C14 | H18 | 118.5° | 175.0° |
| N2 | C8 | C9 | H34 | 56.9° | 54.7° |
| N2 | C8 | C9 | H35 | 175.7° | 174.7° |
| N2 | C8 | C14 | S2 | 56.5° | 55.0° |
| O3 | C14 | C8 | H18 | 176.6° | 120.0° |
| O3 | C14 | C8 | S2 | 121.5° | 120.0° |
| O3 | C14 | C8 | C9 | 172.8° | 175.0° |
| O3 | C14 | H18 | S2 | 139.4° | 120.0° |
| O3 | C14 | S2 | O6 | 90.0° | 171.6° |
| O3 | C14 | S2 | O7 | 90.0° | 51.7° |
| O3 | C14 | S2 | O8 | 90.0° | 60.0° |
| O3 | C14 | C8 | H12 | 54.3° | 55.0° |
| C14 | C8 | C9 | H12 | 118.6° | 120.0° |
| C14 | C8 | C9 | C10 | 174.2° | 174.8° |
| C8 | C14 | H18 | S2 | 44.7° | 120.0° |
| C14 | C8 | C9 | H34 | 65.3° | 65.3° |
| C14 | C8 | C9 | H35 | 53.6° | 54.8° |
| C8 | C14 | O3 | H36 | 180.0° | 60.0° |
| C8 | C14 | S2 | O6 | 90.0° | 68.4° |
| C8 | C14 | S2 | O7 | 90.0° | 68.3° |
| C8 | C14 | S2 | O8 | 90.0° | 180.0° |
| C14 | C8 | N2 | H11 | 65.1° | 89.3° |
| C8 | C9 | C10 | H34 | 120.5° | 120.0° |
| C8 | C9 | C10 | H35 | 120.6° | 120.1° |
| C8 | C9 | C10 | C13 | 65.8° | 66.2° |
| C8 | C9 | C10 | C11 | 174.7° | 179.1° |
| C8 | C9 | C10 | H13 | 55.1° | 56.4° |
| C9 | C8 | C14 | H18 | 3.7° | 55.0° |
| C8 | C9 | H34 | H35 | 118.3° | 120.1° |
| C9 | C8 | C14 | S2 | 65.7° | 65.0° |
| C9 | C8 | N2 | H11 | 57.4° | 30.7° |
| C9 | C10 | C13 | C11 | 126.2° | 118.7° |
| C9 | C10 | C13 | H13 | 120.9° | 122.6° |
| C9 | C10 | C11 | H13 | 119.5° | 122.6° |
| C9 | C10 | C13 | C12 | 158.4° | 143.5° |
| C9 | C10 | C11 | O2 | 31.0° | 45.2° |
| C9 | C10 | C11 | N3 | 149.7° | 134.7° |
| C9 | C10 | C13 | H16 | 39.4° | 25.4° |
| C9 | C10 | C13 | H17 | 82.7° | 98.4° |
| C10 | C9 | H34 | H35 | 118.3° | 119.9° |
| C10 | C9 | C8 | H12 | 55.5° | 54.8° |
| C13 | C10 | C11 | H13 | 112.9° | 118.7° |
| C10 | C13 | C12 | H16 | 119.0° | 118.1° |
| C10 | C13 | C12 | H17 | 119.0° | 118.1° |
| C10 | C13 | C12 | N3 | 31.1° | 25.6° |
| C13 | C10 | C11 | O2 | 158.6° | 163.8° |
| C13 | C10 | C11 | N3 | 22.1° | 16.1° |
| C10 | C13 | C12 | H14 | 149.9° | 93.4° |
| C10 | C13 | C12 | H15 | 87.8° | 144.6° |
| C10 | C13 | H16 | H17 | 123.0° | 123.9° |
| C13 | C10 | C9 | H34 | 173.6° | 173.8° |
| C13 | C10 | C9 | H35 | 54.7° | 53.9° |
| C11 | C10 | C13 | C12 | 32.2° | 24.8° |
| C10 | C11 | N3 | C12 | 2.2° | 0.7° |
| C10 | C11 | O2 | N3 | 179.3° | 179.9° |
| C10 | C11 | N3 | H3 | 177.8° | 179.7° |
| C11 | C10 | C13 | H16 | 86.7° | 93.3° |
| C11 | C10 | C13 | H17 | 151.2° | 142.9° |
| C11 | C10 | C9 | H34 | 54.1° | 59.1° |
| C11 | C10 | C9 | H35 | 64.8° | 60.9° |
| C13 | C12 | N3 | H14 | 118.8° | 119.0° |
| C13 | C12 | N3 | H15 | 118.8° | 119.1° |
| C13 | C12 | N3 | C11 | 18.7° | 17.3° |
| C13 | C12 | N3 | H3 | 161.3° | 163.0° |
| C12 | C13 | C10 | H13 | 80.7° | 93.9° |
| C13 | C12 | H14 | H15 | 123.4° | 122.0° |
| C12 | C13 | H16 | H17 | 122.9° | 123.8° |
| C12 | N3 | C11 | O2 | 178.4° | 179.4° |
| C12 | N3 | C11 | H3 | 180.0° | 179.7° |
| N3 | C12 | H14 | H15 | 123.4° | 121.9° |
| N3 | C12 | C13 | H16 | 87.9° | 92.6° |
| N3 | C12 | C13 | H17 | 150.1° | 143.7° |
| O2 | C11 | N3 | H3 | 1.6° | 0.2° |
| O2 | C11 | C10 | H13 | 88.5° | 77.5° |
| N3 | C11 | C10 | H13 | 90.9° | 102.6° |
| C11 | N3 | C12 | H14 | 137.5° | 101.7° |
| C11 | N3 | C12 | H15 | 100.2° | 136.4° |
| H1 | N1 | C2 | H2 | 119.3° | 141.4° |
| H2 | C2 | C3 | H32 | 69.8° | 74.1° |
| H2 | C2 | C3 | H33 | 171.9° | 165.9° |
| H3 | N3 | C12 | H14 | 42.5° | 78.0° |
| H3 | N3 | C12 | H15 | 79.8° | 43.9° |
| H4 | C4 | C5 | H5 | 61.7° | 175.8° |
| H4 | C4 | C3 | H32 | 177.6° | 172.7° |
| H4 | C4 | C3 | H33 | 59.4° | 67.2° |
| H4 | C4 | C5 | H6 | 58.3° | 55.9° |
| H4 | C4 | C5 | H7 | 178.3° | 64.1° |
| H4 | C4 | C6 | H8 | 61.6° | 180.0° |
| H4 | C4 | C6 | H9 | 178.4° | 59.9° |
| H4 | C4 | C6 | H10 | 58.4° | 60.0° |
| H5 | C5 | H6 | H7 | 120.0° | 120.0° |
| H13 | C10 | C13 | H16 | 160.3° | 148.0° |
| H13 | C10 | C13 | H17 | 38.2° | 24.2° |
| H13 | C10 | C9 | H34 | 65.4° | 63.6° |
| H13 | C10 | C9 | H35 | 175.7° | 176.5° |
| H14 | C12 | C13 | H16 | 30.9° | 148.4° |
| H14 | C12 | C13 | H17 | 91.1° | 24.6° |
| H15 | C12 | C13 | H16 | 153.3° | 26.5° |
| H15 | C12 | C13 | H17 | 31.2° | 97.3° |
| H18 | C14 | O3 | H36 | 3.6° | 180.0° |
| H18 | C14 | S2 | O6 | 90.0° | 51.6° |
| H18 | C14 | S2 | O7 | 90.0° | 171.6° |
| H18 | C14 | S2 | O8 | 90.0° | 60.0° |
| H18 | C14 | C8 | H12 | 122.3° | 65.0° |
| H22 | C17 | H23 | H24 | 120.0° | 120.0° |
| H25 | C18 | H26 | H27 | 120.0° | 120.0° |
| H28 | C20 | C21 | H29 | 0.3° | 0.1° |
| H29 | C21 | C22 | H30 | 0.1° | 0.0° |
| H34 | C9 | C8 | H12 | 176.1° | 174.8° |
| H35 | C9 | C8 | H12 | 65.0° | 65.2° |
| H36 | O3 | C14 | S2 | 122.2° | 60.0° |
| C14 | S2 | O6 | O7 | 90.0° | 131.5° |
| C14 | S2 | O6 | O8 | 90.0° | 111.7° |
| C14 | S2 | O7 | O8 | 90.0° | 111.7° |
| S2 | C14 | C8 | H12 | 175.7° | 175.0° |
| C14 | S2 | O8 | H19 | 90.0° | 180.0° |
| O6 | S2 | O7 | O8 | 90.0° | 116.7° |
| O6 | S2 | O8 | H19 | 90.0° | 64.0° |
| O7 | S2 | O8 | H19 | 90.0° | 63.9° |
| H8 | C6 | H9 | H10 | 120.0° | 120.0° |
| H11 | N2 | C8 | H12 | 176.1° | 150.7° |
