HXQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | sing | 1.53Å | 1.50Å | |
| C20 | N7 | sing | 1.47Å | 1.46Å | |
| C20 | C19 | sing | 1.53Å | 1.53Å | |
| C21 | N7 | sing | 1.47Å | 1.44Å | |
| N7 | C22 | sing | 1.47Å | 1.48Å | |
| C1 | N | sing | 1.47Å | 1.46Å | |
| C19 | C18 | sing | 1.53Å | 1.50Å | |
| C2 | N | sing | 1.47Å | 1.45Å | |
| N | C3 | sing | 1.38Å | 1.37Å | |
| C22 | C23 | sing | 1.53Å | 1.51Å | |
| C18 | C23 | sing | 1.53Å | 1.53Å | |
| C18 | N6 | sing | 1.46Å | 1.47Å | |
| O | S | doub | 1.42Å | 1.44Å | |
| C3 | N1 | doub | 1.32Å | 1.34Å | Aromatic |
| C3 | C10 | sing | 1.42Å | 1.46Å | Aromatic |
| N1 | C4 | sing | 1.33Å | 1.36Å | Aromatic |
| C9 | C10 | doub | 1.40Å | 1.43Å | Aromatic |
| C9 | C8 | sing | 1.36Å | 1.40Å | Aromatic |
| C10 | C5 | sing | 1.42Å | 1.47Å | Aromatic |
| N6 | C4 | sing | 1.38Å | 1.38Å | |
| N6 | C17 | sing | 1.46Å | 1.44Å | |
| C4 | N2 | doub | 1.32Å | 1.35Å | Aromatic |
| C8 | S | sing | 1.76Å | 1.67Å | |
| C8 | C7 | doub | 1.39Å | 1.41Å | Aromatic |
| S | O1 | doub | 1.42Å | 1.37Å | |
| S | N3 | sing | 1.66Å | 1.60Å | |
| C5 | N2 | sing | 1.34Å | 1.39Å | Aromatic |
| C5 | C6 | doub | 1.40Å | 1.41Å | Aromatic |
| C13 | C12 | sing | 1.51Å | 1.51Å | |
| C7 | C6 | sing | 1.36Å | 1.44Å | Aromatic |
| N3 | C11 | sing | 1.41Å | 1.34Å | |
| C12 | C11 | doub | 1.36Å | 1.48Å | Aromatic |
| C12 | N4 | sing | 1.36Å | 1.35Å | Aromatic |
| C11 | C15 | sing | 1.40Å | 1.48Å | Aromatic |
| N4 | C14 | sing | 1.47Å | 1.49Å | |
| N4 | N5 | sing | 1.40Å | 1.44Å | Aromatic |
| C15 | C16 | sing | 1.51Å | 1.50Å | |
| C15 | N5 | doub | 1.31Å | 1.36Å | Aromatic |
| C21 | H1 | sing | 1.09Å | 1.10Å | |
| C21 | H2 | sing | 1.09Å | 1.10Å | |
| C21 | H3 | sing | 1.09Å | 1.10Å | |
| C22 | H4 | sing | 1.09Å | 1.10Å | |
| C22 | H5 | sing | 1.09Å | 1.10Å | |
| C23 | H6 | sing | 1.09Å | 1.10Å | |
| C23 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| C1 | H22 | sing | 1.09Å | 1.10Å | |
| C1 | H23 | sing | 1.09Å | 1.10Å | |
| C2 | H24 | sing | 1.09Å | 1.10Å | |
| C2 | H25 | sing | 1.09Å | 1.10Å | |
| C2 | H26 | sing | 1.09Å | 1.10Å | |
| C6 | H27 | sing | 1.08Å | 1.08Å | |
| C7 | H28 | sing | 1.08Å | 1.08Å | |
| N3 | H29 | sing | 0.97Å | 1.00Å | |
| C9 | H30 | sing | 1.08Å | 1.08Å | |
| C | H31 | sing | 1.09Å | 1.10Å | |
| C | H32 | sing | 1.09Å | 1.10Å | |
| C | H33 | sing | 1.09Å | 1.10Å | |
| C18 | H34 | sing | 1.09Å | 1.10Å | |
| C20 | H36 | sing | 1.09Å | 1.10Å | |
| C20 | H37 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | N | 107.2° | 109.5° |
| C | C1 | H22 | 110.0° | 109.5° |
| C | C1 | H23 | 110.0° | 109.5° |
| C1 | C | H31 | 109.5° | 109.5° |
| C1 | C | H32 | 109.5° | 109.4° |
| C1 | C | H33 | 109.5° | 109.5° |
| N7 | C20 | C19 | 104.1° | 109.5° |
| C20 | N7 | C21 | 98.2° | 111.0° |
| C20 | N7 | C22 | 114.6° | 111.2° |
| N7 | C20 | H36 | 110.8° | 109.4° |
| N7 | C20 | H37 | 110.8° | 109.4° |
| C20 | C19 | C18 | 99.0° | 109.3° |
| C20 | C19 | H20 | 112.0° | 109.5° |
| C20 | C19 | H21 | 112.0° | 109.5° |
| C19 | C20 | H36 | 110.8° | 109.5° |
| C19 | C20 | H37 | 110.8° | 109.5° |
| C21 | N7 | C22 | 114.3° | 111.0° |
| N7 | C21 | H1 | 109.5° | 109.5° |
| N7 | C21 | H2 | 109.5° | 109.4° |
| N7 | C21 | H3 | 109.5° | 109.5° |
| N7 | C22 | C23 | 109.8° | 109.5° |
| N7 | C22 | H4 | 109.4° | 109.5° |
| N7 | C22 | H5 | 109.4° | 109.5° |
| C1 | N | C2 | 119.4° | 111.0° |
| C1 | N | C3 | 118.3° | 111.0° |
| N | C1 | H22 | 110.0° | 109.5° |
| N | C1 | H23 | 110.0° | 109.5° |
| C19 | C18 | C23 | 106.6° | 109.2° |
| C19 | C18 | N6 | 105.2° | 109.5° |
| C18 | C19 | H20 | 112.0° | 109.5° |
| C18 | C19 | H21 | 112.0° | 109.5° |
| C19 | C18 | H34 | 111.4° | 109.5° |
| C2 | N | C3 | 122.2° | 110.9° |
| N | C2 | H24 | 109.5° | 109.5° |
| N | C2 | H25 | 109.5° | 109.5° |
| N | C2 | H26 | 109.5° | 109.5° |
| N | C3 | N1 | 118.4° | 120.9° |
| N | C3 | C10 | 121.0° | 120.8° |
| C22 | C23 | C18 | 109.1° | 109.3° |
| C23 | C22 | H4 | 109.4° | 109.4° |
| C23 | C22 | H5 | 109.4° | 109.5° |
| C22 | C23 | H6 | 109.6° | 109.5° |
| C22 | C23 | H7 | 109.6° | 109.6° |
| C23 | C18 | N6 | 110.7° | 109.5° |
| C18 | C23 | H6 | 109.6° | 109.4° |
| C18 | C23 | H7 | 109.6° | 109.5° |
| C23 | C18 | H34 | 110.9° | 109.6° |
| C18 | N6 | C4 | 112.3° | 120.0° |
| C18 | N6 | C17 | 123.5° | 120.0° |
| N6 | C18 | H34 | 111.8° | 109.6° |
| O | S | C8 | 111.2° | 106.4° |
| O | S | O1 | 117.0° | 123.1° |
| O | S | N3 | 109.9° | 106.4° |
| N1 | C3 | C10 | 120.6° | 118.3° |
| C3 | N1 | C4 | 122.7° | 121.4° |
| C3 | C10 | C9 | 122.1° | 122.0° |
| C3 | C10 | C5 | 114.3° | 118.3° |
| N1 | C4 | N6 | 115.5° | 118.6° |
| N1 | C4 | N2 | 121.8° | 122.8° |
| C10 | C9 | C8 | 121.6° | 119.6° |
| C9 | C10 | C5 | 123.6° | 119.6° |
| C10 | C9 | H30 | 119.2° | 120.2° |
| C9 | C8 | S | 125.9° | 119.6° |
| C9 | C8 | C7 | 114.5° | 120.9° |
| C8 | C9 | H30 | 119.2° | 120.2° |
| C10 | C5 | N2 | 120.8° | 118.7° |
| C10 | C5 | C6 | 113.9° | 119.3° |
| C4 | N6 | C17 | 124.2° | 119.9° |
| N6 | C4 | N2 | 122.6° | 118.5° |
| N6 | C17 | H17 | 109.5° | 109.5° |
| N6 | C17 | H18 | 109.5° | 109.5° |
| N6 | C17 | H19 | 109.5° | 109.5° |
| C4 | N2 | C5 | 119.8° | 120.4° |
| S | C8 | C7 | 119.7° | 119.5° |
| C8 | S | O1 | 96.7° | 106.4° |
| C8 | S | N3 | 106.5° | 107.2° |
| C8 | C7 | C6 | 125.9° | 121.0° |
| C8 | C7 | H28 | 117.0° | 119.5° |
| O1 | S | N3 | 114.3° | 106.4° |
| S | N3 | C11 | 115.3° | 120.0° |
| S | N3 | H29 | 108.0° | 120.1° |
| N2 | C5 | C6 | 125.2° | 121.9° |
| C5 | C6 | C7 | 120.5° | 119.6° |
| C5 | C6 | H27 | 119.8° | 120.2° |
| C13 | C12 | C11 | 128.4° | 126.2° |
| C13 | C12 | N4 | 130.9° | 126.2° |
| C12 | C13 | H8 | 109.5° | 109.5° |
| C12 | C13 | H9 | 109.5° | 109.5° |
| C12 | C13 | H10 | 109.4° | 109.5° |
| C7 | C6 | H27 | 119.7° | 120.2° |
| C6 | C7 | H28 | 117.0° | 119.5° |
| N3 | C11 | C12 | 127.8° | 126.1° |
| N3 | C11 | C15 | 120.6° | 126.1° |
| C11 | N3 | H29 | 108.0° | 119.9° |
| C11 | C12 | N4 | 100.7° | 107.5° |
| C12 | C11 | C15 | 111.5° | 107.9° |
| C12 | N4 | C14 | 133.8° | 126.1° |
| C12 | N4 | N5 | 114.6° | 107.9° |
| C11 | C15 | C16 | 126.0° | 125.8° |
| C11 | C15 | N5 | 104.0° | 108.4° |
| C14 | N4 | N5 | 111.6° | 126.1° |
| N4 | C14 | H11 | 109.5° | 109.5° |
| N4 | C14 | H12 | 109.5° | 109.4° |
| N4 | C14 | H13 | 109.5° | 109.4° |
| N4 | N5 | C15 | 109.1° | 108.4° |
| C16 | C15 | N5 | 130.0° | 125.8° |
| C15 | C16 | H14 | 109.5° | 109.5° |
| C15 | C16 | H15 | 109.4° | 109.5° |
| C15 | C16 | H16 | 109.5° | 109.4° |
| H1 | C21 | H2 | 109.5° | 109.5° |
| H1 | C21 | H3 | 109.5° | 109.5° |
| H2 | C21 | H3 | 109.5° | 109.5° |
| H4 | C22 | H5 | 109.5° | 109.5° |
| H6 | C23 | H7 | 109.5° | 109.5° |
| H8 | C13 | H9 | 109.5° | 109.5° |
| H8 | C13 | H10 | 109.5° | 109.4° |
| H9 | C13 | H10 | 109.5° | 109.5° |
| H11 | C14 | H12 | 109.5° | 109.5° |
| H11 | C14 | H13 | 109.5° | 109.5° |
| H12 | C14 | H13 | 109.5° | 109.5° |
| H14 | C16 | H15 | 109.5° | 109.5° |
| H14 | C16 | H16 | 109.5° | 109.4° |
| H15 | C16 | H16 | 109.5° | 109.5° |
| H17 | C17 | H18 | 109.5° | 109.4° |
| H17 | C17 | H19 | 109.4° | 109.5° |
| H18 | C17 | H19 | 109.5° | 109.4° |
| H20 | C19 | H21 | 109.5° | 109.5° |
| H22 | C1 | H23 | 109.4° | 109.5° |
| H24 | C2 | H25 | 109.4° | 109.5° |
| H24 | C2 | H26 | 109.5° | 109.4° |
| H25 | C2 | H26 | 109.5° | 109.4° |
| H31 | C | H32 | 109.5° | 109.4° |
| H31 | C | H33 | 109.4° | 109.5° |
| H32 | C | H33 | 109.5° | 109.5° |
| H36 | C20 | H37 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | N | H22 | 119.7° | 120.0° |
| C | C1 | N | H23 | 119.7° | 120.0° |
| C | C1 | N | C2 | 96.8° | 170.0° |
| C | C1 | N | C3 | 80.3° | 66.1° |
| C | C1 | H22 | H23 | 121.0° | 120.0° |
| C1 | C | H31 | H32 | 120.0° | 119.9° |
| C1 | C | H31 | H33 | 120.0° | 120.0° |
| C1 | C | H32 | H33 | 120.0° | 120.0° |
| N7 | C20 | C19 | H36 | 119.1° | 120.0° |
| N7 | C20 | C19 | H37 | 119.1° | 120.0° |
| C20 | N7 | C21 | C22 | 121.8° | 124.2° |
| N7 | C20 | C19 | C18 | 75.0° | 59.1° |
| C20 | N7 | C22 | C23 | 50.5° | 61.8° |
| C20 | N7 | C21 | H1 | 180.0° | 64.2° |
| C20 | N7 | C21 | H2 | 60.0° | 55.8° |
| C20 | N7 | C21 | H3 | 60.0° | 175.7° |
| C20 | N7 | C22 | H4 | 170.5° | 178.3° |
| C20 | N7 | C22 | H5 | 69.5° | 58.3° |
| N7 | C20 | C19 | H20 | 166.7° | 179.1° |
| N7 | C20 | C19 | H21 | 43.3° | 60.8° |
| N7 | C20 | H36 | H37 | 122.5° | 119.9° |
| C19 | C20 | N7 | C21 | 56.2° | 174.2° |
| C19 | C20 | N7 | C22 | 65.3° | 61.7° |
| C20 | C19 | C18 | H20 | 118.3° | 119.9° |
| C20 | C19 | C18 | H21 | 118.2° | 119.9° |
| C20 | C19 | C18 | C23 | 76.5° | 57.6° |
| C20 | C19 | C18 | N6 | 165.9° | 62.3° |
| C20 | C19 | H20 | H21 | 124.9° | 120.1° |
| C20 | C19 | C18 | H34 | 44.5° | 177.6° |
| C19 | C20 | H36 | H37 | 122.5° | 120.0° |
| C21 | N7 | C22 | C23 | 61.8° | 174.1° |
| N7 | C21 | H1 | H2 | 120.0° | 120.0° |
| N7 | C21 | H1 | H3 | 120.0° | 120.0° |
| N7 | C21 | H2 | H3 | 120.0° | 119.9° |
| C21 | N7 | C22 | H4 | 58.2° | 54.2° |
| C21 | N7 | C22 | H5 | 178.2° | 65.8° |
| C21 | N7 | C20 | H36 | 175.4° | 65.8° |
| C21 | N7 | C20 | H37 | 62.9° | 54.1° |
| N7 | C22 | C23 | H4 | 120.0° | 120.0° |
| N7 | C22 | C23 | H5 | 120.0° | 120.0° |
| N7 | C22 | C23 | C18 | 47.1° | 59.2° |
| C22 | N7 | C21 | H1 | 58.2° | 60.0° |
| C22 | N7 | C21 | H2 | 61.8° | 180.0° |
| C22 | N7 | C21 | H3 | 178.2° | 60.0° |
| N7 | C22 | H4 | H5 | 119.9° | 120.0° |
| N7 | C22 | C23 | H6 | 72.8° | 179.1° |
| N7 | C22 | C23 | H7 | 167.1° | 60.8° |
| C22 | N7 | C20 | H36 | 53.8° | 58.3° |
| C22 | N7 | C20 | H37 | 175.6° | 178.2° |
| C1 | N | C2 | C3 | 177.0° | 123.9° |
| C1 | N | C3 | N1 | 8.2° | 62.4° |
| C1 | N | C3 | C10 | 174.0° | 117.5° |
| N | C1 | H22 | H23 | 121.0° | 120.0° |
| C1 | N | C2 | H24 | 180.0° | 64.8° |
| C1 | N | C2 | H25 | 60.0° | 175.1° |
| C1 | N | C2 | H26 | 60.0° | 55.1° |
| N | C1 | C | H31 | 180.0° | 59.9° |
| N | C1 | C | H32 | 60.0° | 60.0° |
| N | C1 | C | H33 | 60.0° | 180.0° |
| C19 | C18 | C23 | C22 | 64.3° | 57.7° |
| C19 | C18 | C23 | N6 | 113.9° | 119.9° |
| C19 | C18 | C23 | H34 | 121.4° | 119.9° |
| C19 | C18 | N6 | H34 | 121.1° | 120.1° |
| C19 | C18 | N6 | C4 | 112.7° | 59.6° |
| C19 | C18 | N6 | C17 | 66.5° | 120.4° |
| C19 | C18 | C23 | H6 | 55.6° | 177.6° |
| C19 | C18 | C23 | H7 | 175.8° | 62.3° |
| C18 | C19 | H20 | H21 | 124.9° | 120.1° |
| C18 | C19 | C20 | H36 | 44.1° | 60.8° |
| C18 | C19 | C20 | H37 | 165.9° | 179.2° |
| C2 | N | C3 | N1 | 168.8° | 61.5° |
| C2 | N | C3 | C10 | 9.1° | 118.5° |
| C2 | N | C1 | H22 | 143.5° | 70.0° |
| C2 | N | C1 | H23 | 22.8° | 50.0° |
| N | C2 | H24 | H25 | 120.0° | 120.1° |
| N | C2 | H24 | H26 | 120.0° | 120.0° |
| N | C2 | H25 | H26 | 120.0° | 120.0° |
| N | C3 | N1 | C10 | 177.9° | 179.9° |
| N | C3 | N1 | C4 | 176.0° | 179.9° |
| N | C3 | C10 | C9 | 1.2° | 0.1° |
| N | C3 | C10 | C5 | 178.4° | 180.0° |
| C3 | N | C1 | H22 | 39.4° | 53.9° |
| C3 | N | C1 | H23 | 160.1° | 173.9° |
| C3 | N | C2 | H24 | 3.1° | 59.1° |
| C3 | N | C2 | H25 | 123.0° | 61.0° |
| C3 | N | C2 | H26 | 117.0° | 179.1° |
| C22 | C23 | C18 | H6 | 119.9° | 119.9° |
| C22 | C23 | C18 | H7 | 120.0° | 120.0° |
| C22 | C23 | C18 | N6 | 178.2° | 62.2° |
| C23 | C22 | H4 | H5 | 119.8° | 120.0° |
| C22 | C23 | H6 | H7 | 120.2° | 120.2° |
| C22 | C23 | C18 | H34 | 57.1° | 177.6° |
| C23 | C18 | N6 | H34 | 124.1° | 120.2° |
| C23 | C18 | N6 | C4 | 132.5° | 179.3° |
| C23 | C18 | N6 | C17 | 48.3° | 0.8° |
| C18 | C23 | C22 | H4 | 167.1° | 179.2° |
| C18 | C23 | C22 | H5 | 72.9° | 60.8° |
| C18 | C23 | H6 | H7 | 120.2° | 120.0° |
| C23 | C18 | C19 | H20 | 165.2° | 177.6° |
| C23 | C18 | C19 | H21 | 41.7° | 62.3° |
| C18 | N6 | C4 | N1 | 0.3° | 180.0° |
| C18 | N6 | C4 | C17 | 179.1° | 180.0° |
| C18 | N6 | C4 | N2 | 177.4° | 0.0° |
| N6 | C18 | C23 | H6 | 58.2° | 57.7° |
| N6 | C18 | C23 | H7 | 61.9° | 177.8° |
| C18 | N6 | C17 | H17 | 180.0° | 95.9° |
| C18 | N6 | C17 | H18 | 60.0° | 24.1° |
| C18 | N6 | C17 | H19 | 60.0° | 144.1° |
| N6 | C18 | C19 | H20 | 47.6° | 57.7° |
| N6 | C18 | C19 | H21 | 75.9° | 177.8° |
| O | S | C8 | C9 | 43.4° | 24.1° |
| O | S | C8 | O1 | 122.4° | 132.9° |
| O | S | C8 | N3 | 119.7° | 113.5° |
| O | S | C8 | C7 | 138.4° | 155.8° |
| O | S | O1 | N3 | 130.5° | 122.9° |
| O | S | N3 | C11 | 133.3° | 46.9° |
| O | S | N3 | H29 | 12.4° | 133.1° |
| N1 | C3 | C10 | C9 | 179.0° | 180.0° |
| N1 | C3 | C10 | C5 | 0.5° | 0.0° |
| C3 | N1 | C4 | N6 | 179.9° | 180.0° |
| C3 | N1 | C4 | N2 | 3.0° | 0.0° |
| C10 | C3 | N1 | C4 | 1.9° | 0.0° |
| C3 | C10 | C9 | C5 | 179.5° | 180.0° |
| C3 | C10 | C9 | C8 | 178.9° | 180.0° |
| C3 | C10 | C5 | N2 | 1.9° | 0.0° |
| C3 | C10 | C5 | C6 | 178.7° | 180.0° |
| C3 | C10 | C9 | H30 | 1.1° | 0.1° |
| N1 | C4 | N6 | N2 | 177.1° | 180.0° |
| N1 | C4 | N6 | C17 | 179.4° | 0.0° |
| N1 | C4 | N2 | C5 | 1.5° | 0.0° |
| C10 | C9 | C8 | H30 | 180.0° | 180.0° |
| C10 | C9 | C8 | S | 178.2° | 180.0° |
| C10 | C9 | C8 | C7 | 0.1° | 0.1° |
| C9 | C10 | C5 | N2 | 177.6° | 180.0° |
| C9 | C10 | C5 | C6 | 0.8° | 0.0° |
| C8 | C9 | C10 | C5 | 0.6° | 0.0° |
| C9 | C8 | S | C7 | 178.2° | 179.9° |
| C9 | C8 | S | O1 | 165.8° | 157.0° |
| C9 | C8 | S | N3 | 76.3° | 89.4° |
| C9 | C8 | C7 | C6 | 0.5° | 0.1° |
| C9 | C8 | C7 | H28 | 179.5° | 179.9° |
| C10 | C5 | N2 | C4 | 1.0° | 0.0° |
| C10 | C5 | N2 | C6 | 176.4° | 180.0° |
| C10 | C5 | C6 | C7 | 0.4° | 0.0° |
| C10 | C5 | C6 | H27 | 179.6° | 180.0° |
| C5 | C10 | C9 | H30 | 179.4° | 179.9° |
| N6 | C4 | N2 | C5 | 178.4° | 180.0° |
| C4 | N6 | C17 | H17 | 1.0° | 84.2° |
| C4 | N6 | C17 | H18 | 119.0° | 155.9° |
| C4 | N6 | C17 | H19 | 121.0° | 35.9° |
| C4 | N6 | C18 | H34 | 8.4° | 60.5° |
| C17 | N6 | C4 | N2 | 3.5° | 180.0° |
| N6 | C17 | H17 | H18 | 120.0° | 120.0° |
| N6 | C17 | H17 | H19 | 120.0° | 120.1° |
| N6 | C17 | H18 | H19 | 120.0° | 120.1° |
| C17 | N6 | C18 | H34 | 172.5° | 119.4° |
| C4 | N2 | C5 | C6 | 177.4° | 180.0° |
| C8 | S | O1 | N3 | 111.5° | 114.1° |
| S | C8 | C7 | C6 | 177.9° | 180.0° |
| C8 | S | N3 | C11 | 12.7° | 66.7° |
| S | C8 | C7 | H28 | 2.1° | 0.0° |
| C8 | S | N3 | H29 | 108.1° | 113.3° |
| S | C8 | C9 | H30 | 1.8° | 0.0° |
| C7 | C8 | S | O1 | 16.0° | 22.9° |
| C7 | C8 | S | N3 | 101.9° | 90.6° |
| C8 | C7 | C6 | C5 | 0.2° | 0.0° |
| C8 | C7 | C6 | H28 | 180.0° | 180.0° |
| C8 | C7 | C6 | H27 | 179.8° | 180.0° |
| C7 | C8 | C9 | H30 | 180.0° | 179.9° |
| O1 | S | N3 | C11 | 92.8° | 179.8° |
| O1 | S | N3 | H29 | 146.4° | 0.3° |
| S | N3 | C11 | H29 | 120.9° | 180.0° |
| S | N3 | C11 | C12 | 104.2° | 109.9° |
| S | N3 | C11 | C15 | 73.7° | 70.1° |
| N2 | C5 | C6 | C7 | 177.1° | 180.0° |
| N2 | C5 | C6 | H27 | 2.9° | 0.0° |
| C5 | C6 | C7 | H27 | 180.0° | 180.0° |
| C5 | C6 | C7 | H28 | 179.7° | 180.0° |
| C13 | C12 | C11 | N3 | 2.2° | 0.3° |
| C13 | C12 | C11 | N4 | 179.3° | 179.7° |
| C13 | C12 | C11 | C15 | 179.8° | 179.7° |
| C13 | C12 | N4 | C14 | 0.2° | 0.3° |
| C13 | C12 | N4 | N5 | 179.6° | 179.7° |
| C12 | C13 | H8 | H9 | 120.0° | 120.0° |
| C12 | C13 | H8 | H10 | 120.0° | 120.0° |
| C12 | C13 | H9 | H10 | 120.0° | 120.1° |
| N3 | C11 | C12 | C15 | 178.0° | 180.0° |
| N3 | C11 | C12 | N4 | 178.5° | 180.0° |
| N3 | C11 | C15 | C16 | 0.4° | 0.0° |
| N3 | C11 | C15 | N5 | 178.7° | 180.0° |
| C11 | C12 | N4 | C14 | 179.1° | 180.0° |
| C11 | C12 | N4 | N5 | 0.3° | 0.1° |
| C12 | C11 | C15 | C16 | 178.6° | 180.0° |
| C12 | C11 | C15 | N5 | 0.5° | 0.0° |
| C11 | C12 | C13 | H8 | 89.6° | 90.0° |
| C11 | C12 | C13 | H9 | 150.4° | 150.0° |
| C11 | C12 | C13 | H10 | 30.4° | 29.9° |
| C12 | C11 | N3 | H29 | 16.7° | 70.1° |
| N4 | C12 | C11 | C15 | 0.5° | 0.1° |
| C12 | N4 | C14 | N5 | 179.4° | 179.9° |
| C12 | N4 | N5 | C15 | 0.1° | 0.0° |
| N4 | C12 | C13 | H8 | 89.6° | 90.4° |
| N4 | C12 | C13 | H9 | 30.5° | 29.7° |
| N4 | C12 | C13 | H10 | 150.5° | 149.7° |
| C12 | N4 | C14 | H11 | 179.4° | 89.9° |
| C12 | N4 | C14 | H12 | 60.6° | 150.0° |
| C12 | N4 | C14 | H13 | 59.3° | 30.1° |
| C11 | C15 | N5 | N4 | 0.3° | 0.0° |
| C11 | C15 | C16 | N5 | 178.9° | 180.0° |
| C11 | C15 | C16 | H14 | 178.9° | 86.6° |
| C11 | C15 | C16 | H15 | 61.2° | 153.4° |
| C11 | C15 | C16 | H16 | 58.9° | 33.3° |
| C15 | C11 | N3 | H29 | 165.5° | 110.0° |
| C14 | N4 | N5 | C15 | 179.6° | 180.0° |
| N4 | C14 | H11 | H12 | 120.0° | 120.0° |
| N4 | C14 | H11 | H13 | 120.0° | 120.0° |
| N4 | C14 | H12 | H13 | 120.0° | 119.9° |
| N4 | N5 | C15 | C16 | 178.7° | 180.0° |
| N5 | N4 | C14 | H11 | 0.0° | 90.0° |
| N5 | N4 | C14 | H12 | 120.0° | 30.0° |
| N5 | N4 | C14 | H13 | 120.0° | 150.0° |
| C15 | C16 | H14 | H15 | 120.0° | 120.1° |
| C15 | C16 | H14 | H16 | 120.0° | 119.9° |
| C15 | C16 | H15 | H16 | 120.0° | 120.0° |
| N5 | C15 | C16 | H14 | 0.0° | 93.4° |
| N5 | C15 | C16 | H15 | 120.0° | 26.6° |
| N5 | C15 | C16 | H16 | 120.0° | 146.7° |
| H1 | C21 | H2 | H3 | 120.0° | 120.1° |
| H4 | C22 | C23 | H6 | 47.2° | 60.9° |
| H4 | C22 | C23 | H7 | 72.9° | 59.2° |
| H5 | C22 | C23 | H6 | 167.1° | 59.1° |
| H5 | C22 | C23 | H7 | 47.0° | 179.2° |
| H6 | C23 | C18 | H34 | 177.1° | 62.5° |
| H7 | C23 | C18 | H34 | 62.8° | 57.6° |
| H8 | C13 | H9 | H10 | 120.0° | 119.9° |
| H11 | C14 | H12 | H13 | 120.0° | 120.0° |
| H14 | C16 | H15 | H16 | 120.0° | 120.0° |
| H17 | C17 | H18 | H19 | 120.0° | 120.0° |
| H20 | C19 | C18 | H34 | 73.7° | 62.5° |
| H20 | C19 | C20 | H36 | 74.1° | 59.1° |
| H20 | C19 | C20 | H37 | 47.6° | 60.9° |
| H21 | C19 | C18 | H34 | 162.8° | 57.7° |
| H21 | C19 | C20 | H36 | 162.4° | 179.3° |
| H21 | C19 | C20 | H37 | 75.9° | 59.2° |
| H22 | C1 | C | H31 | 60.4° | 179.9° |
| H22 | C1 | C | H32 | 59.7° | 60.0° |
| H22 | C1 | C | H33 | 179.7° | 60.0° |
| H23 | C1 | C | H31 | 60.3° | 60.0° |
| H23 | C1 | C | H32 | 179.7° | 180.0° |
| H23 | C1 | C | H33 | 59.7° | 60.0° |
| H24 | C2 | H25 | H26 | 120.0° | 119.9° |
| H27 | C6 | C7 | H28 | 0.3° | 0.0° |
| H31 | C | H32 | H33 | 120.0° | 120.1° |
