UDE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O6 | C1 | doub | 1.22Å | 1.22Å | |
| C16 | C2 | sing | 1.54Å | 1.52Å | |
| C16 | C5 | sing | 1.55Å | 1.54Å | |
| C7 | C6 | sing | 1.51Å | 1.49Å | |
| C7 | N5 | sing | 1.47Å | 1.46Å | |
| N | C1 | sing | 1.35Å | 1.38Å | |
| N | C | sing | 1.35Å | 1.39Å | |
| C1 | N1 | sing | 1.35Å | 1.38Å | |
| C6 | C15 | doub | 1.35Å | 1.37Å | Aromatic |
| C6 | N4 | sing | 1.34Å | 1.36Å | Aromatic |
| C15 | N2 | sing | 1.35Å | 1.35Å | Aromatic |
| C | O | doub | 1.22Å | 1.22Å | |
| C | C18 | sing | 1.42Å | 1.45Å | |
| N4 | N3 | doub | 1.29Å | 1.31Å | Aromatic |
| N1 | C2 | sing | 1.46Å | 1.48Å | |
| N1 | C17 | sing | 1.37Å | 1.38Å | |
| N2 | N3 | sing | 1.29Å | 1.35Å | Aromatic |
| N2 | C5 | sing | 1.47Å | 1.47Å | |
| C2 | O1 | sing | 1.44Å | 1.43Å | |
| O5 | C8 | doub | 1.22Å | 1.24Å | |
| C5 | C3 | sing | 1.54Å | 1.53Å | |
| C17 | C18 | doub | 1.35Å | 1.34Å | |
| C18 | C19 | sing | 1.51Å | 1.52Å | |
| N5 | C8 | sing | 1.35Å | 1.34Å | |
| C8 | N6 | sing | 1.35Å | 1.37Å | |
| O1 | C3 | sing | 1.44Å | 1.44Å | |
| C3 | C4 | sing | 1.53Å | 1.51Å | |
| N6 | C9 | sing | 1.40Å | 1.41Å | |
| O2 | C4 | sing | 1.43Å | 1.43Å | |
| C10 | C9 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C9 | C14 | sing | 1.39Å | 1.40Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | S | sing | 1.76Å | 1.77Å | |
| N7 | S | sing | 1.66Å | 1.60Å | |
| O3 | S | doub | 1.42Å | 1.43Å | |
| S | O4 | doub | 1.42Å | 1.44Å | |
| C7 | H1 | sing | 1.09Å | 1.10Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C2 | H7 | sing | 1.09Å | 1.10Å | |
| N | H8 | sing | 0.97Å | 1.00Å | |
| C17 | H9 | sing | 1.08Å | 1.08Å | |
| C19 | H10 | sing | 1.09Å | 1.10Å | |
| C19 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| O2 | H15 | sing | 0.97Å | 0.95Å | |
| C15 | H16 | sing | 1.08Å | 1.08Å | |
| N5 | H17 | sing | 0.97Å | 1.00Å | |
| N6 | H18 | sing | 0.97Å | 1.00Å | |
| C14 | H19 | sing | 1.08Å | 1.08Å | |
| N7 | H20 | sing | 0.97Å | 1.00Å | |
| N7 | H21 | sing | 0.97Å | 1.00Å | |
| C12 | H22 | sing | 1.08Å | 1.08Å | |
| C11 | H23 | sing | 1.08Å | 1.08Å | |
| C10 | H24 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O6 | C1 | N | 121.9° | 119.6° |
| O6 | C1 | N1 | 123.3° | 119.5° |
| C2 | C16 | C5 | 106.0° | 104.0° |
| C16 | C2 | N1 | 114.6° | 110.4° |
| C16 | C2 | O1 | 106.6° | 104.9° |
| C16 | C2 | H7 | 108.8° | 110.5° |
| C2 | C16 | H13 | 110.3° | 110.5° |
| C2 | C16 | H14 | 110.3° | 110.5° |
| C16 | C5 | N2 | 114.8° | 110.5° |
| C16 | C5 | C3 | 104.0° | 104.1° |
| C16 | C5 | H3 | 109.1° | 110.6° |
| C5 | C16 | H13 | 110.4° | 110.5° |
| C5 | C16 | H14 | 110.3° | 110.5° |
| C6 | C7 | N5 | 107.9° | 109.5° |
| C7 | C6 | C15 | 130.0° | 126.7° |
| C7 | C6 | N4 | 121.5° | 126.8° |
| C6 | C7 | H1 | 109.9° | 109.5° |
| C6 | C7 | H2 | 109.9° | 109.5° |
| C7 | N5 | C8 | 119.2° | 120.0° |
| N5 | C7 | H1 | 109.8° | 109.5° |
| N5 | C7 | H2 | 109.9° | 109.4° |
| C7 | N5 | H17 | 120.4° | 119.9° |
| C1 | N | C | 127.0° | 120.3° |
| N | C1 | N1 | 114.7° | 120.9° |
| C1 | N | H8 | 116.5° | 119.9° |
| N | C | O | 119.9° | 120.3° |
| N | C | C18 | 115.4° | 119.4° |
| C | N | H8 | 116.5° | 119.9° |
| C1 | N1 | C2 | 119.3° | 119.7° |
| C1 | N1 | C17 | 121.2° | 120.6° |
| C15 | C6 | N4 | 108.1° | 106.5° |
| C6 | C15 | N2 | 105.0° | 106.1° |
| C6 | C15 | H16 | 127.5° | 126.9° |
| C6 | N4 | N3 | 109.2° | 108.9° |
| C15 | N2 | N3 | 110.6° | 108.3° |
| C15 | N2 | C5 | 129.0° | 125.8° |
| N2 | C15 | H16 | 127.5° | 126.9° |
| O | C | C18 | 124.6° | 120.4° |
| C | C18 | C17 | 118.1° | 119.1° |
| C | C18 | C19 | 118.9° | 120.4° |
| N4 | N3 | N2 | 107.0° | 110.2° |
| C2 | N1 | C17 | 119.2° | 119.7° |
| N1 | C2 | O1 | 107.3° | 110.4° |
| N1 | C2 | H7 | 109.3° | 110.3° |
| N1 | C17 | C18 | 123.5° | 119.7° |
| N1 | C17 | H9 | 118.2° | 120.1° |
| N3 | N2 | C5 | 120.3° | 125.9° |
| N2 | C5 | C3 | 109.5° | 110.5° |
| N2 | C5 | H3 | 110.0° | 110.5° |
| C2 | O1 | C3 | 111.8° | 105.3° |
| O1 | C2 | H7 | 110.2° | 110.3° |
| O5 | C8 | N5 | 121.6° | 120.0° |
| O5 | C8 | N6 | 122.9° | 120.0° |
| C5 | C3 | O1 | 105.0° | 104.8° |
| C5 | C3 | C4 | 116.1° | 110.4° |
| C3 | C5 | H3 | 109.2° | 110.5° |
| C5 | C3 | H6 | 108.6° | 110.3° |
| C17 | C18 | C19 | 123.0° | 120.4° |
| C18 | C17 | H9 | 118.2° | 120.1° |
| C18 | C19 | H10 | 109.5° | 109.5° |
| C18 | C19 | H11 | 109.5° | 109.4° |
| C18 | C19 | H12 | 109.5° | 109.5° |
| N5 | C8 | N6 | 115.5° | 120.0° |
| C8 | N5 | H17 | 120.4° | 120.0° |
| C8 | N6 | C9 | 124.1° | 120.0° |
| C8 | N6 | H18 | 118.0° | 120.0° |
| O1 | C3 | C4 | 108.5° | 110.4° |
| O1 | C3 | H6 | 109.7° | 110.4° |
| C3 | C4 | O2 | 114.0° | 109.5° |
| C3 | C4 | H4 | 108.3° | 109.5° |
| C3 | C4 | H5 | 108.4° | 109.6° |
| C4 | C3 | H6 | 108.8° | 110.5° |
| N6 | C9 | C10 | 121.4° | 120.1° |
| N6 | C9 | C14 | 117.9° | 120.1° |
| C9 | N6 | H18 | 117.9° | 120.0° |
| O2 | C4 | H4 | 108.3° | 109.4° |
| O2 | C4 | H5 | 108.3° | 109.5° |
| C4 | O2 | H15 | 109.5° | 114.0° |
| C9 | C10 | C11 | 119.9° | 119.9° |
| C10 | C9 | C14 | 120.7° | 119.8° |
| C9 | C10 | H24 | 120.0° | 120.0° |
| C10 | C11 | C12 | 120.4° | 120.1° |
| C10 | C11 | H23 | 119.8° | 120.0° |
| C11 | C10 | H24 | 120.1° | 120.1° |
| C9 | C14 | C13 | 118.7° | 119.9° |
| C9 | C14 | H19 | 120.6° | 120.0° |
| C11 | C12 | C13 | 120.0° | 120.1° |
| C11 | C12 | H22 | 120.0° | 120.0° |
| C12 | C11 | H23 | 119.8° | 119.9° |
| C14 | C13 | C12 | 120.3° | 120.1° |
| C14 | C13 | S | 120.5° | 120.0° |
| C13 | C14 | H19 | 120.6° | 120.0° |
| C12 | C13 | S | 119.2° | 119.9° |
| C13 | C12 | H22 | 120.0° | 119.9° |
| C13 | S | N7 | 110.0° | 107.2° |
| C13 | S | O3 | 104.4° | 106.4° |
| C13 | S | O4 | 104.6° | 106.4° |
| N7 | S | O3 | 108.6° | 106.4° |
| N7 | S | O4 | 110.1° | 106.4° |
| S | N7 | H20 | 109.5° | 120.0° |
| S | N7 | H21 | 109.4° | 120.0° |
| O3 | S | O4 | 118.7° | 123.2° |
| H1 | C7 | H2 | 109.5° | 109.5° |
| H4 | C4 | H5 | 109.4° | 109.5° |
| H10 | C19 | H11 | 109.5° | 109.5° |
| H10 | C19 | H12 | 109.5° | 109.5° |
| H11 | C19 | H12 | 109.5° | 109.5° |
| H13 | C16 | H14 | 109.5° | 110.6° |
| H20 | N7 | H21 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O6 | C1 | N | N1 | 178.9° | 180.0° |
| O6 | C1 | N | C | 178.0° | 180.0° |
| O6 | C1 | N1 | C2 | 7.7° | 0.0° |
| O6 | C1 | N1 | C17 | 179.3° | 179.7° |
| O6 | C1 | N | H8 | 2.0° | 0.0° |
| C2 | C16 | C5 | H13 | 119.5° | 118.7° |
| C2 | C16 | C5 | H14 | 119.4° | 118.6° |
| C16 | C2 | N1 | C1 | 113.6° | 62.1° |
| C16 | C2 | N1 | O1 | 118.2° | 115.4° |
| C16 | C2 | N1 | H7 | 122.4° | 122.4° |
| C16 | C2 | N1 | C17 | 73.2° | 118.1° |
| C2 | C16 | C5 | N2 | 138.6° | 118.7° |
| C16 | C2 | O1 | H7 | 117.9° | 119.0° |
| C2 | C16 | C5 | C3 | 19.0° | 0.0° |
| C16 | C2 | O1 | C3 | 11.4° | 40.5° |
| C2 | C16 | C5 | H3 | 97.4° | 118.7° |
| C2 | C16 | H13 | H14 | 121.6° | 122.7° |
| C16 | C5 | N2 | C15 | 38.7° | 30.0° |
| C5 | C16 | C2 | N1 | 113.0° | 142.8° |
| C16 | C5 | N2 | N3 | 144.1° | 150.3° |
| C16 | C5 | N2 | C3 | 116.5° | 114.7° |
| C16 | C5 | N2 | H3 | 123.5° | 122.7° |
| C5 | C16 | C2 | O1 | 5.6° | 24.0° |
| C16 | C5 | C3 | H3 | 116.3° | 118.8° |
| C16 | C5 | C3 | O1 | 25.5° | 23.9° |
| C16 | C5 | C3 | C4 | 145.3° | 142.8° |
| C16 | C5 | C3 | H6 | 91.8° | 94.8° |
| C5 | C16 | C2 | H7 | 124.4° | 94.9° |
| C5 | C16 | H13 | H14 | 121.6° | 122.7° |
| C6 | C7 | N5 | H1 | 119.8° | 120.0° |
| C6 | C7 | N5 | H2 | 119.8° | 120.0° |
| C7 | C6 | C15 | N4 | 171.8° | 179.6° |
| C7 | C6 | C15 | N2 | 170.0° | 180.0° |
| C7 | C6 | N4 | N3 | 170.7° | 179.9° |
| C6 | C7 | N5 | C8 | 92.4° | 180.0° |
| C6 | C7 | H1 | H2 | 120.7° | 120.0° |
| C7 | C6 | C15 | H16 | 10.1° | 0.4° |
| C6 | C7 | N5 | H17 | 87.6° | 0.0° |
| N5 | C7 | C6 | C15 | 80.9° | 95.0° |
| N5 | C7 | C6 | N4 | 90.0° | 85.4° |
| C7 | N5 | C8 | O5 | 0.2° | 0.1° |
| C7 | N5 | C8 | H17 | 180.0° | 179.9° |
| C7 | N5 | C8 | N6 | 178.4° | 180.0° |
| N5 | C7 | H1 | H2 | 120.7° | 120.0° |
| C1 | N | C | H8 | 180.0° | 179.9° |
| C1 | N | C | O | 174.9° | 179.9° |
| C1 | N | C | C18 | 2.1° | 0.2° |
| N | C1 | N1 | C2 | 171.2° | 180.0° |
| N | C1 | N1 | C17 | 1.8° | 0.3° |
| C | N | C1 | N1 | 0.9° | 0.0° |
| N | C | O | C18 | 176.7° | 179.7° |
| N | C | C18 | C17 | 0.7° | 0.2° |
| N | C | C18 | C19 | 178.7° | 179.8° |
| C1 | N1 | C2 | C17 | 173.1° | 179.7° |
| C1 | N1 | C2 | O1 | 128.2° | 53.3° |
| C1 | N1 | C17 | C18 | 3.3° | 0.3° |
| C1 | N1 | C2 | H7 | 8.8° | 175.5° |
| N1 | C1 | N | H8 | 179.1° | 180.0° |
| C1 | N1 | C17 | H9 | 176.7° | 179.7° |
| C6 | C15 | N2 | H16 | 180.0° | 179.6° |
| C15 | C6 | N4 | N3 | 2.0° | 0.3° |
| C6 | C15 | N2 | N3 | 1.1° | 0.4° |
| C6 | C15 | N2 | C5 | 176.3° | 179.9° |
| C15 | C6 | C7 | H1 | 38.8° | 144.9° |
| C15 | C6 | C7 | H2 | 159.3° | 24.9° |
| N4 | C6 | C15 | N2 | 1.9° | 0.4° |
| C6 | N4 | N3 | N2 | 1.2° | 0.1° |
| N4 | C6 | C7 | H1 | 150.3° | 34.6° |
| N4 | C6 | C7 | H2 | 29.8° | 154.6° |
| N4 | C6 | C15 | H16 | 178.1° | 180.0° |
| C15 | N2 | N3 | N4 | 0.0° | 0.2° |
| C15 | N2 | N3 | C5 | 177.7° | 179.8° |
| C15 | N2 | C5 | C3 | 77.8° | 84.7° |
| C15 | N2 | C5 | H3 | 162.2° | 152.7° |
| O | C | C18 | C17 | 176.2° | 179.9° |
| O | C | C18 | C19 | 1.8° | 0.1° |
| O | C | N | H8 | 5.1° | 0.0° |
| C | C18 | C17 | N1 | 1.9° | 0.0° |
| C | C18 | C17 | C19 | 177.9° | 180.0° |
| C18 | C | N | H8 | 177.9° | 179.7° |
| C | C18 | C17 | H9 | 178.1° | 180.0° |
| C | C18 | C19 | H10 | 180.0° | 90.0° |
| C | C18 | C19 | H11 | 60.0° | 30.0° |
| C | C18 | C19 | H12 | 60.0° | 150.0° |
| N4 | N3 | N2 | C5 | 177.7° | 180.0° |
| N1 | C2 | O1 | H7 | 118.9° | 122.2° |
| C2 | N1 | C17 | C18 | 169.7° | 180.0° |
| N1 | C2 | O1 | C3 | 134.6° | 159.3° |
| C2 | N1 | C17 | H9 | 10.3° | 0.0° |
| N1 | C2 | C16 | H13 | 127.6° | 24.2° |
| N1 | C2 | C16 | H14 | 6.5° | 98.6° |
| C17 | N1 | C2 | O1 | 44.9° | 126.4° |
| N1 | C17 | C18 | H9 | 180.0° | 180.0° |
| N1 | C17 | C18 | C19 | 176.0° | 180.0° |
| C17 | N1 | C2 | H7 | 164.4° | 4.2° |
| N3 | N2 | C5 | C3 | 99.4° | 95.0° |
| N3 | N2 | C5 | H3 | 20.6° | 27.6° |
| N3 | N2 | C15 | H16 | 178.8° | 179.9° |
| N2 | C5 | C3 | H3 | 120.5° | 122.6° |
| N2 | C5 | C3 | O1 | 148.7° | 142.6° |
| N2 | C5 | C3 | C4 | 91.6° | 98.6° |
| N2 | C5 | C3 | H6 | 31.3° | 23.8° |
| N2 | C5 | C16 | H13 | 19.2° | 122.7° |
| N2 | C5 | C16 | H14 | 101.9° | 0.1° |
| C5 | N2 | C15 | H16 | 3.7° | 0.3° |
| C2 | O1 | C3 | C5 | 23.7° | 40.5° |
| C2 | O1 | C3 | C4 | 148.3° | 159.3° |
| C2 | O1 | C3 | H6 | 92.9° | 78.3° |
| O1 | C2 | C16 | H13 | 113.9° | 94.7° |
| O1 | C2 | C16 | H14 | 125.0° | 142.6° |
| O5 | C8 | N5 | N6 | 178.1° | 180.0° |
| O5 | C8 | N6 | C9 | 4.6° | 4.6° |
| O5 | C8 | N5 | H17 | 179.8° | 180.0° |
| O5 | C8 | N6 | H18 | 175.4° | 175.4° |
| C5 | C3 | O1 | C4 | 124.7° | 118.8° |
| C5 | C3 | O1 | H6 | 116.6° | 118.7° |
| C5 | C3 | C4 | H6 | 122.8° | 122.3° |
| C5 | C3 | C4 | O2 | 16.7° | 178.1° |
| C5 | C3 | C4 | H4 | 137.3° | 58.2° |
| C5 | C3 | C4 | H5 | 104.0° | 61.8° |
| C3 | C5 | C16 | H13 | 100.5° | 118.6° |
| C3 | C5 | C16 | H14 | 138.4° | 118.6° |
| C17 | C18 | C19 | H10 | 2.1° | 90.0° |
| C17 | C18 | C19 | H11 | 122.1° | 150.0° |
| C17 | C18 | C19 | H12 | 117.9° | 30.0° |
| C19 | C18 | C17 | H9 | 4.0° | 0.0° |
| C18 | C19 | H10 | H11 | 120.0° | 119.9° |
| C18 | C19 | H10 | H12 | 120.0° | 120.0° |
| C18 | C19 | H11 | H12 | 120.0° | 120.0° |
| N5 | C8 | N6 | C9 | 177.3° | 175.4° |
| C8 | N5 | C7 | H1 | 27.3° | 60.0° |
| C8 | N5 | C7 | H2 | 147.8° | 60.1° |
| N5 | C8 | N6 | H18 | 2.7° | 4.6° |
| C8 | N6 | C9 | H18 | 180.0° | 180.0° |
| C8 | N6 | C9 | C10 | 45.3° | 145.2° |
| C8 | N6 | C9 | C14 | 133.5° | 35.1° |
| N6 | C8 | N5 | H17 | 1.6° | 0.0° |
| O1 | C3 | C4 | H6 | 119.3° | 122.4° |
| O1 | C3 | C4 | O2 | 101.2° | 66.5° |
| O1 | C3 | C5 | H3 | 90.8° | 94.8° |
| O1 | C3 | C4 | H4 | 19.5° | 173.6° |
| O1 | C3 | C4 | H5 | 138.2° | 53.5° |
| C3 | O1 | C2 | H7 | 106.5° | 78.5° |
| C3 | C4 | O2 | H4 | 120.7° | 120.0° |
| C3 | C4 | O2 | H5 | 120.7° | 120.1° |
| C4 | C3 | C5 | H3 | 28.9° | 24.0° |
| C3 | C4 | H4 | H5 | 118.0° | 120.1° |
| C3 | C4 | O2 | H15 | 180.0° | 180.0° |
| N6 | C9 | C10 | C14 | 178.7° | 179.8° |
| N6 | C9 | C10 | C11 | 179.1° | 179.7° |
| N6 | C9 | C14 | C13 | 179.0° | 180.0° |
| N6 | C9 | C14 | H19 | 1.1° | 0.0° |
| N6 | C9 | C10 | H24 | 0.9° | 0.3° |
| O2 | C4 | H4 | H5 | 117.9° | 119.9° |
| O2 | C4 | C3 | H6 | 139.5° | 55.9° |
| C9 | C10 | C11 | H24 | 180.0° | 179.4° |
| C9 | C10 | C11 | C12 | 0.9° | 0.6° |
| C10 | C9 | C14 | C13 | 0.2° | 0.3° |
| C10 | C9 | N6 | H18 | 134.7° | 34.8° |
| C10 | C9 | C14 | H19 | 179.8° | 179.7° |
| C9 | C10 | C11 | H23 | 179.1° | 179.7° |
| C11 | C10 | C9 | C14 | 0.4° | 0.5° |
| C10 | C11 | C12 | H23 | 180.0° | 179.7° |
| C10 | C11 | C12 | C13 | 1.3° | 0.4° |
| C10 | C11 | C12 | H22 | 178.7° | 179.7° |
| C9 | C14 | C13 | H19 | 180.0° | 180.0° |
| C9 | C14 | C13 | C12 | 0.6° | 0.0° |
| C9 | C14 | C13 | S | 179.5° | 180.0° |
| C14 | C9 | N6 | H18 | 46.5° | 145.0° |
| C14 | C9 | C10 | H24 | 179.6° | 180.0° |
| C11 | C12 | C13 | C14 | 1.1° | 0.1° |
| C11 | C12 | C13 | H22 | 180.0° | 179.9° |
| C11 | C12 | C13 | S | 178.9° | 180.0° |
| C12 | C11 | C10 | H24 | 179.1° | 180.0° |
| C14 | C13 | C12 | S | 180.0° | 179.9° |
| C14 | C13 | S | N7 | 42.4° | 90.0° |
| C14 | C13 | S | O3 | 158.8° | 23.5° |
| C14 | C13 | S | O4 | 75.8° | 156.5° |
| C14 | C13 | C12 | H22 | 178.9° | 180.0° |
| C12 | C13 | S | N7 | 137.5° | 89.9° |
| C12 | C13 | S | O3 | 21.2° | 156.5° |
| C12 | C13 | S | O4 | 104.2° | 23.6° |
| C12 | C13 | C14 | H19 | 179.5° | 180.0° |
| C13 | C12 | C11 | H23 | 178.7° | 179.9° |
| C13 | S | N7 | O3 | 113.7° | 113.5° |
| C13 | S | N7 | O4 | 114.8° | 113.6° |
| C13 | S | O3 | O4 | 116.0° | 123.0° |
| S | C13 | C14 | H19 | 0.5° | 0.0° |
| C13 | S | N7 | H20 | 180.0° | 120.0° |
| C13 | S | N7 | H21 | 60.0° | 60.0° |
| S | C13 | C12 | H22 | 1.0° | 0.1° |
| N7 | S | O3 | O4 | 126.7° | 122.9° |
| S | N7 | H20 | H21 | 120.0° | 180.0° |
| O3 | S | N7 | H20 | 66.3° | 6.5° |
| O3 | S | N7 | H21 | 53.7° | 173.5° |
| O4 | S | N7 | H20 | 65.2° | 126.4° |
| O4 | S | N7 | H21 | 174.8° | 53.6° |
| H1 | C7 | N5 | H17 | 152.7° | 120.0° |
| H2 | C7 | N5 | H17 | 32.2° | 120.0° |
| H3 | C5 | C3 | H6 | 151.8° | 146.4° |
| H3 | C5 | C16 | H13 | 143.1° | 0.0° |
| H3 | C5 | C16 | H14 | 22.0° | 122.7° |
| H4 | C4 | C3 | H6 | 99.8° | 64.1° |
| H4 | C4 | O2 | H15 | 59.3° | 60.1° |
| H5 | C4 | C3 | H6 | 18.8° | 175.9° |
| H5 | C4 | O2 | H15 | 59.3° | 59.9° |
| H7 | C2 | C16 | H13 | 4.9° | 146.4° |
| H7 | C2 | C16 | H14 | 116.2° | 23.7° |
| H10 | C19 | H11 | H12 | 120.0° | 120.1° |
| H22 | C12 | C11 | H23 | 1.3° | 0.0° |
| H23 | C11 | C10 | H24 | 1.0° | 0.3° |
