9RU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | doub | 1.24Å | 1.28Å | |
| C1 | N2 | sing | 1.34Å | 1.30Å | |
| C1 | N1 | sing | 1.35Å | 1.38Å | |
| N2 | C2 | sing | 1.45Å | 1.45Å | |
| C2 | C3 | sing | 1.53Å | 1.55Å | |
| C2 | C4 | sing | 1.55Å | 1.66Å | |
| C3 | S1 | sing | 1.79Å | 1.80Å | |
| S1 | C5 | sing | 1.82Å | 1.79Å | |
| N1 | C4 | sing | 1.45Å | 1.47Å | |
| C4 | C5 | sing | 1.57Å | 1.52Å | |
| C5 | C6 | sing | 1.53Å | 1.58Å | |
| C6 | C7 | sing | 1.54Å | 1.52Å | |
| C7 | C8 | sing | 1.54Å | 1.58Å | |
| C8 | C9 | sing | 1.53Å | 1.55Å | |
| C9 | C10 | sing | 1.51Å | 1.51Å | |
| C10 | O2 | doub | 1.24Å | 1.25Å | |
| C10 | N3 | sing | 1.34Å | 1.30Å | |
| N3 | C11 | sing | 1.46Å | 1.56Å | |
| C11 | C12 | sing | 1.51Å | 1.51Å | |
| C12 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C19 | sing | 1.38Å | 1.42Å | Aromatic |
| C13 | C14 | sing | 1.40Å | 1.42Å | Aromatic |
| C14 | C15 | sing | 1.51Å | 1.53Å | |
| C14 | C16 | doub | 1.42Å | 1.41Å | Aromatic |
| C16 | C17 | sing | 1.42Å | 1.42Å | Aromatic |
| C16 | N4 | sing | 1.45Å | 1.43Å | |
| C17 | C18 | sing | 1.51Å | 1.49Å | |
| C17 | C19 | doub | 1.40Å | 1.42Å | Aromatic |
| N4 | C20 | sing | 1.33Å | 1.42Å | |
| N4 | C22 | sing | 1.49Å | 1.47Å | |
| C20 | RU1 | sing | 2.94Å | 1.79Å | |
| C20 | N5 | sing | 1.34Å | 1.43Å | |
| RU1 | CL1 | sing | 2.43Å | 2.23Å | |
| RU1 | CL2 | sing | 2.42Å | 2.29Å | |
| N5 | C21 | sing | 1.49Å | 1.44Å | |
| C21 | C22 | sing | 1.54Å | 1.51Å | |
| C23 | C24 | doub | 1.41Å | 1.44Å | Aromatic |
| C23 | C30 | sing | 1.41Å | 1.38Å | Aromatic |
| C24 | C25 | sing | 1.51Å | 1.45Å | |
| C24 | C26 | sing | 1.40Å | 1.35Å | Aromatic |
| C26 | C27 | doub | 1.38Å | 1.43Å | Aromatic |
| C27 | C28 | sing | 1.51Å | 1.53Å | |
| C27 | C29 | sing | 1.38Å | 1.38Å | Aromatic |
| C29 | C30 | doub | 1.39Å | 1.39Å | Aromatic |
| C30 | C31 | sing | 1.51Å | 1.48Å | |
| N5 | C23 | sing | 1.45Å | 1.69Å | |
| N2 | H1 | sing | 0.86Å | 1.00Å | |
| C2 | H2 | sing | 0.99Å | 1.10Å | |
| C3 | H3 | sing | 0.99Å | 1.10Å | |
| C3 | H4 | sing | 0.99Å | 1.10Å | |
| N1 | H5 | sing | 0.86Å | 1.00Å | |
| C4 | H6 | sing | 0.99Å | 1.10Å | |
| C5 | H7 | sing | 1.00Å | 1.10Å | |
| C6 | H8 | sing | 0.98Å | 1.10Å | |
| C6 | H9 | sing | 0.98Å | 1.10Å | |
| C7 | H10 | sing | 0.98Å | 1.10Å | |
| C7 | H11 | sing | 0.98Å | 1.10Å | |
| C8 | H12 | sing | 0.98Å | 1.10Å | |
| C8 | H13 | sing | 0.98Å | 1.10Å | |
| C9 | H14 | sing | 0.98Å | 1.10Å | |
| C9 | H15 | sing | 0.98Å | 1.10Å | |
| N3 | H16 | sing | 0.89Å | 1.00Å | |
| C11 | H17 | sing | 0.98Å | 1.10Å | |
| C11 | H18 | sing | 0.98Å | 1.10Å | |
| C13 | H19 | sing | 0.95Å | 1.08Å | |
| C15 | H20 | sing | 0.97Å | 1.10Å | |
| C15 | H21 | sing | 0.97Å | 1.10Å | |
| C15 | H22 | sing | 0.96Å | 1.10Å | |
| C18 | H23 | sing | 0.97Å | 1.10Å | |
| C18 | H24 | sing | 0.97Å | 1.10Å | |
| C18 | H25 | sing | 0.97Å | 1.10Å | |
| C19 | H26 | sing | 0.95Å | 1.08Å | |
| C21 | H27 | sing | 0.98Å | 1.10Å | |
| C22 | H28 | sing | 0.98Å | 1.10Å | |
| C25 | H29 | sing | 0.97Å | 1.10Å | |
| C25 | H30 | sing | 0.97Å | 1.10Å | |
| C25 | H31 | sing | 0.97Å | 1.10Å | |
| C26 | H32 | sing | 0.95Å | 1.08Å | |
| C28 | H33 | sing | 0.97Å | 1.10Å | |
| C28 | H34 | sing | 0.97Å | 1.10Å | |
| C28 | H35 | sing | 0.97Å | 1.10Å | |
| C29 | H36 | sing | 0.95Å | 1.08Å | |
| C31 | H37 | sing | 0.97Å | 1.10Å | |
| C31 | H38 | sing | 0.97Å | 1.10Å | |
| C31 | H39 | sing | 0.97Å | 1.10Å | |
| C21 | H40 | sing | 0.99Å | 1.10Å | |
| C22 | H41 | sing | 0.98Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | N2 | 122.2° | 126.0° |
| O1 | C1 | N1 | 124.1° | 126.0° |
| N2 | C1 | N1 | 113.4° | 107.9° |
| C1 | N2 | C2 | 115.8° | 113.4° |
| C1 | N2 | H1 | 122.1° | 122.2° |
| C1 | N1 | C4 | 107.5° | 113.6° |
| C1 | N1 | H5 | 126.2° | 121.6° |
| N2 | C2 | C3 | 110.5° | 113.2° |
| N2 | C2 | C4 | 97.9° | 102.6° |
| C2 | N2 | H1 | 122.1° | 124.4° |
| N2 | C2 | H2 | 115.2° | 110.2° |
| C3 | C2 | C4 | 106.6° | 109.3° |
| C2 | C3 | S1 | 108.4° | 106.4° |
| C3 | C2 | H2 | 113.5° | 110.7° |
| C2 | C3 | H3 | 109.7° | 110.4° |
| C2 | C3 | H4 | 109.8° | 110.4° |
| C2 | C4 | N1 | 105.0° | 102.2° |
| C2 | C4 | C5 | 106.2° | 108.2° |
| C4 | C2 | H2 | 111.8° | 110.7° |
| C2 | C4 | H6 | 109.3° | 110.3° |
| C3 | S1 | C5 | 89.6° | 90.1° |
| S1 | C3 | H3 | 109.8° | 110.5° |
| S1 | C3 | H4 | 109.7° | 110.5° |
| S1 | C5 | C4 | 107.5° | 102.5° |
| S1 | C5 | C6 | 110.5° | 111.7° |
| S1 | C5 | H7 | 105.7° | 107.5° |
| N1 | C4 | C5 | 112.8° | 116.2° |
| C4 | N1 | H5 | 126.2° | 124.8° |
| N1 | C4 | H6 | 111.9° | 109.5° |
| C4 | C5 | C6 | 116.0° | 119.6° |
| C5 | C4 | H6 | 111.2° | 110.1° |
| C4 | C5 | H7 | 108.6° | 107.6° |
| C5 | C6 | C7 | 113.9° | 116.5° |
| C6 | C5 | H7 | 108.0° | 107.4° |
| C5 | C6 | H8 | 108.4° | 108.2° |
| C5 | C6 | H9 | 108.4° | 108.1° |
| C6 | C7 | C8 | 104.4° | 115.7° |
| C7 | C6 | H8 | 108.4° | 108.6° |
| C7 | C6 | H9 | 108.4° | 108.0° |
| C6 | C7 | H10 | 110.7° | 108.6° |
| C6 | C7 | H11 | 110.7° | 109.0° |
| C7 | C8 | C9 | 107.0° | 116.1° |
| C8 | C7 | H10 | 110.7° | 108.1° |
| C8 | C7 | H11 | 110.8° | 108.2° |
| C7 | C8 | H12 | 110.1° | 108.6° |
| C7 | C8 | H13 | 110.1° | 108.0° |
| C8 | C9 | C10 | 110.8° | 113.1° |
| C9 | C8 | H12 | 110.1° | 108.5° |
| C9 | C8 | H13 | 110.1° | 108.4° |
| C8 | C9 | H14 | 109.1° | 108.7° |
| C8 | C9 | H15 | 109.1° | 109.4° |
| C9 | C10 | O2 | 119.5° | 119.8° |
| C9 | C10 | N3 | 121.3° | 117.8° |
| C10 | C9 | H14 | 109.1° | 108.6° |
| C10 | C9 | H15 | 109.1° | 109.3° |
| O2 | C10 | N3 | 119.2° | 122.4° |
| C10 | N3 | C11 | 123.4° | 124.9° |
| C10 | N3 | H16 | 118.3° | 119.8° |
| N3 | C11 | C12 | 108.9° | 112.2° |
| C11 | N3 | H16 | 118.3° | 115.3° |
| N3 | C11 | H17 | 109.6° | 109.0° |
| N3 | C11 | H18 | 109.6° | 109.0° |
| C11 | C12 | C13 | 117.4° | 121.0° |
| C11 | C12 | C19 | 124.1° | 120.8° |
| C12 | C11 | H17 | 109.6° | 109.2° |
| C12 | C11 | H18 | 109.6° | 109.6° |
| C13 | C12 | C19 | 118.5° | 118.1° |
| C12 | C13 | C14 | 122.8° | 122.6° |
| C12 | C13 | H19 | 118.6° | 118.7° |
| C12 | C19 | C17 | 119.2° | 122.6° |
| C12 | C19 | H26 | 120.4° | 118.7° |
| C13 | C14 | C15 | 118.7° | 117.2° |
| C13 | C14 | C16 | 119.4° | 118.2° |
| C14 | C13 | H19 | 118.6° | 118.7° |
| C15 | C14 | C16 | 121.9° | 124.3° |
| C14 | C15 | H20 | 109.5° | 109.7° |
| C14 | C15 | H21 | 109.5° | 110.4° |
| C14 | C15 | H22 | 109.5° | 109.7° |
| C14 | C16 | C17 | 118.0° | 120.0° |
| C14 | C16 | N4 | 119.3° | 119.6° |
| C17 | C16 | N4 | 122.7° | 120.1° |
| C16 | C17 | C18 | 122.2° | 124.7° |
| C16 | C17 | C19 | 122.0° | 118.2° |
| C16 | N4 | C20 | 130.6° | 126.2° |
| C16 | N4 | C22 | 120.4° | 125.8° |
| C18 | C17 | C19 | 115.8° | 117.1° |
| C17 | C18 | H23 | 109.5° | 110.1° |
| C17 | C18 | H24 | 109.4° | 109.8° |
| C17 | C18 | H25 | 109.5° | 109.6° |
| C17 | C19 | H26 | 120.4° | 118.7° |
| C20 | N4 | C22 | 109.0° | 106.6° |
| N4 | C20 | RU1 | 123.9° | 84.8° |
| N4 | C20 | N5 | 108.1° | 113.2° |
| N4 | C22 | C21 | 106.5° | 102.5° |
| N4 | C22 | H28 | 110.2° | 111.2° |
| N4 | C22 | H41 | 110.2° | 112.6° |
| RU1 | C20 | N5 | 128.0° | 95.0° |
| C20 | RU1 | CL1 | 90.9° | 112.4° |
| C20 | RU1 | CL2 | 88.9° | 111.4° |
| C20 | N5 | C21 | 111.2° | 108.3° |
| C20 | N5 | C23 | 124.6° | 125.3° |
| CL1 | RU1 | CL2 | 169.9° | 103.8° |
| N5 | C21 | C22 | 105.2° | 102.7° |
| C21 | N5 | C23 | 121.6° | 125.9° |
| N5 | C21 | H27 | 110.5° | 112.1° |
| N5 | C21 | H40 | 110.5° | 111.3° |
| C22 | C21 | H27 | 110.5° | 110.5° |
| C21 | C22 | H28 | 110.2° | 110.9° |
| C22 | C21 | H40 | 110.5° | 111.3° |
| C21 | C22 | H41 | 110.2° | 110.8° |
| C24 | C23 | C30 | 117.6° | 120.1° |
| C23 | C24 | C25 | 129.5° | 124.1° |
| C23 | C24 | C26 | 118.7° | 118.0° |
| C24 | C23 | N5 | 118.5° | 120.1° |
| C23 | C30 | C29 | 123.0° | 118.1° |
| C23 | C30 | C31 | 118.7° | 124.0° |
| C30 | C23 | N5 | 124.0° | 119.4° |
| C25 | C24 | C26 | 111.8° | 117.6° |
| C24 | C25 | H29 | 109.5° | 110.2° |
| C24 | C25 | H30 | 109.5° | 109.6° |
| C24 | C25 | H31 | 109.4° | 109.7° |
| C24 | C26 | C27 | 123.0° | 123.0° |
| C24 | C26 | H32 | 118.5° | 118.7° |
| C26 | C27 | C28 | 122.8° | 121.3° |
| C26 | C27 | C29 | 118.0° | 117.6° |
| C27 | C26 | H32 | 118.5° | 118.3° |
| C28 | C27 | C29 | 119.2° | 121.1° |
| C27 | C28 | H33 | 109.5° | 109.8° |
| C27 | C28 | H34 | 109.5° | 109.8° |
| C27 | C28 | H35 | 109.5° | 109.5° |
| C27 | C29 | C30 | 119.7° | 123.0° |
| C27 | C29 | H36 | 120.2° | 118.3° |
| C29 | C30 | C31 | 118.3° | 117.9° |
| C30 | C29 | H36 | 120.1° | 118.7° |
| C30 | C31 | H37 | 109.5° | 110.3° |
| C30 | C31 | H38 | 109.5° | 109.9° |
| C30 | C31 | H39 | 109.5° | 109.3° |
| H3 | C3 | H4 | 109.5° | 108.6° |
| H8 | C6 | H9 | 109.4° | 107.0° |
| H10 | C7 | H11 | 109.5° | 106.9° |
| H12 | C8 | H13 | 109.5° | 106.9° |
| H14 | C9 | H15 | 109.5° | 107.5° |
| H17 | C11 | H18 | 109.5° | 107.8° |
| H20 | C15 | H21 | 109.5° | 108.6° |
| H20 | C15 | H22 | 109.5° | 109.9° |
| H21 | C15 | H22 | 109.5° | 108.5° |
| H23 | C18 | H24 | 109.5° | 108.5° |
| H23 | C18 | H25 | 109.5° | 109.1° |
| H24 | C18 | H25 | 109.5° | 109.7° |
| H27 | C21 | H40 | 109.4° | 108.9° |
| H28 | C22 | H41 | 109.5° | 108.7° |
| H29 | C25 | H30 | 109.4° | 109.1° |
| H29 | C25 | H31 | 109.5° | 108.6° |
| H30 | C25 | H31 | 109.5° | 109.5° |
| H33 | C28 | H34 | 109.5° | 109.1° |
| H33 | C28 | H35 | 109.5° | 109.3° |
| H34 | C28 | H35 | 109.4° | 109.3° |
| H37 | C31 | H38 | 109.5° | 108.5° |
| H37 | C31 | H39 | 109.5° | 108.9° |
| H38 | C31 | H39 | 109.5° | 109.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | N2 | N1 | 173.7° | 179.6° |
| O1 | C1 | N2 | C2 | 178.7° | 177.9° |
| O1 | C1 | N1 | C4 | 177.1° | 178.8° |
| O1 | C1 | N2 | H1 | 1.3° | 2.0° |
| O1 | C1 | N1 | H5 | 2.9° | 0.5° |
| C1 | N2 | C2 | H1 | 180.0° | 179.9° |
| C1 | N2 | C2 | C3 | 107.3° | 113.2° |
| C1 | N2 | C2 | C4 | 3.8° | 4.4° |
| N2 | C1 | N1 | C4 | 3.6° | 0.8° |
| C1 | N2 | C2 | H2 | 122.4° | 122.3° |
| N2 | C1 | N1 | H5 | 176.4° | 180.0° |
| N1 | C1 | N2 | C2 | 5.1° | 2.5° |
| C1 | N1 | C4 | C2 | 1.1° | 3.4° |
| C1 | N1 | C4 | H5 | 180.0° | 179.2° |
| C1 | N1 | C4 | C5 | 114.2° | 120.9° |
| N1 | C1 | N2 | H1 | 174.9° | 177.6° |
| C1 | N1 | C4 | H6 | 119.5° | 113.5° |
| N2 | C2 | C3 | C4 | 105.4° | 113.7° |
| N2 | C2 | C3 | H2 | 131.1° | 124.2° |
| N2 | C2 | C4 | H2 | 121.2° | 117.5° |
| N2 | C2 | C3 | S1 | 81.5° | 88.2° |
| N2 | C2 | C4 | N1 | 1.4° | 4.4° |
| N2 | C2 | C4 | C5 | 121.2° | 127.5° |
| N2 | C2 | C3 | H3 | 158.7° | 31.7° |
| N2 | C2 | C3 | H4 | 38.4° | 151.8° |
| N2 | C2 | C4 | H6 | 118.9° | 112.0° |
| C3 | C2 | C4 | H2 | 124.6° | 122.1° |
| C2 | C3 | S1 | H3 | 119.8° | 119.9° |
| C2 | C3 | S1 | H4 | 119.8° | 119.9° |
| C2 | C3 | S1 | C5 | 39.4° | 41.5° |
| C3 | C2 | C4 | N1 | 112.8° | 116.0° |
| C3 | C2 | C4 | C5 | 6.9° | 7.1° |
| C3 | C2 | N2 | H1 | 72.7° | 66.7° |
| C2 | C3 | H3 | H4 | 120.5° | 121.2° |
| C3 | C2 | C4 | H6 | 126.9° | 127.7° |
| C4 | C2 | C3 | S1 | 23.9° | 25.4° |
| C2 | C4 | C5 | S1 | 35.2° | 35.6° |
| C2 | C4 | N1 | C5 | 115.2° | 117.5° |
| C2 | C4 | N1 | H6 | 118.5° | 116.9° |
| C2 | C4 | C5 | H6 | 118.8° | 120.6° |
| C2 | C4 | C5 | C6 | 159.4° | 159.7° |
| C4 | C2 | N2 | H1 | 176.2° | 175.7° |
| C4 | C2 | C3 | H3 | 95.9° | 145.4° |
| C4 | C2 | C3 | H4 | 143.8° | 94.5° |
| C2 | C4 | N1 | H5 | 179.0° | 177.4° |
| C2 | C4 | C5 | H7 | 78.8° | 77.5° |
| C3 | S1 | C5 | C4 | 44.1° | 44.4° |
| C3 | S1 | C5 | C6 | 171.7° | 173.6° |
| S1 | C3 | C2 | H2 | 147.4° | 147.6° |
| S1 | C3 | H3 | H4 | 120.5° | 121.4° |
| C3 | S1 | C5 | H7 | 71.8° | 68.8° |
| S1 | C5 | C4 | N1 | 79.4° | 78.6° |
| S1 | C5 | C4 | C6 | 124.3° | 124.1° |
| S1 | C5 | C4 | H7 | 114.0° | 113.1° |
| S1 | C5 | C6 | H7 | 115.2° | 117.6° |
| S1 | C5 | C6 | C7 | 70.1° | 163.8° |
| C5 | S1 | C3 | H3 | 80.4° | 161.4° |
| C5 | S1 | C3 | H4 | 159.3° | 78.4° |
| S1 | C5 | C4 | H6 | 153.9° | 156.2° |
| S1 | C5 | C6 | H8 | 50.5° | 73.6° |
| S1 | C5 | C6 | H9 | 169.2° | 42.0° |
| N1 | C4 | C5 | H6 | 126.7° | 125.3° |
| N1 | C4 | C5 | C6 | 44.9° | 45.6° |
| N1 | C4 | C2 | H2 | 122.6° | 121.9° |
| N1 | C4 | C5 | H7 | 166.7° | 168.3° |
| C4 | C5 | C6 | H7 | 122.1° | 122.8° |
| C4 | C5 | C6 | C7 | 167.2° | 76.6° |
| C5 | C4 | C2 | H2 | 117.6° | 115.0° |
| C5 | C4 | N1 | H5 | 65.8° | 59.9° |
| C4 | C5 | C6 | H8 | 72.2° | 46.0° |
| C4 | C5 | C6 | H9 | 46.5° | 161.6° |
| C5 | C6 | C7 | H8 | 120.7° | 122.4° |
| C5 | C6 | C7 | H9 | 120.7° | 121.8° |
| C5 | C6 | C7 | C8 | 179.3° | 163.1° |
| C6 | C5 | C4 | H6 | 81.8° | 79.7° |
| C5 | C6 | H8 | H9 | 118.0° | 116.3° |
| C5 | C6 | C7 | H10 | 60.1° | 75.1° |
| C5 | C6 | C7 | H11 | 61.5° | 40.9° |
| C6 | C7 | C8 | H10 | 119.2° | 122.0° |
| C6 | C7 | C8 | H11 | 119.2° | 122.6° |
| C6 | C7 | C8 | C9 | 177.6° | 164.8° |
| C7 | C6 | C5 | H7 | 45.0° | 46.2° |
| C7 | C6 | H8 | H9 | 118.0° | 116.4° |
| C6 | C7 | H10 | H11 | 122.3° | 117.5° |
| C6 | C7 | C8 | H12 | 62.8° | 42.4° |
| C6 | C7 | C8 | H13 | 58.0° | 73.2° |
| C7 | C8 | C9 | H12 | 119.6° | 122.6° |
| C7 | C8 | C9 | H13 | 119.6° | 121.7° |
| C7 | C8 | C9 | C10 | 70.4° | 85.2° |
| C8 | C7 | C6 | H8 | 60.0° | 40.7° |
| C8 | C7 | C6 | H9 | 58.6° | 75.0° |
| C8 | C7 | H10 | H11 | 122.4° | 116.3° |
| C7 | C8 | H12 | H13 | 121.2° | 116.3° |
| C7 | C8 | C9 | H14 | 49.8° | 154.0° |
| C7 | C8 | C9 | H15 | 169.4° | 36.9° |
| C8 | C9 | C10 | H14 | 120.2° | 120.8° |
| C8 | C9 | C10 | H15 | 120.2° | 122.2° |
| C8 | C9 | C10 | O2 | 35.5° | 81.7° |
| C8 | C9 | C10 | N3 | 144.7° | 97.6° |
| C9 | C8 | C7 | H10 | 58.4° | 73.2° |
| C9 | C8 | C7 | H11 | 63.2° | 42.2° |
| C9 | C8 | H12 | H13 | 121.1° | 116.7° |
| C8 | C9 | H14 | H15 | 119.4° | 118.3° |
| C9 | C10 | O2 | N3 | 179.8° | 179.3° |
| C9 | C10 | N3 | C11 | 134.7° | 175.3° |
| C10 | C9 | C8 | H12 | 170.0° | 37.3° |
| C10 | C9 | C8 | H13 | 49.2° | 153.1° |
| C10 | C9 | H14 | H15 | 119.4° | 118.2° |
| C9 | C10 | N3 | H16 | 45.3° | 5.4° |
| O2 | C10 | N3 | C11 | 45.1° | 5.4° |
| O2 | C10 | C9 | H14 | 155.8° | 39.1° |
| O2 | C10 | C9 | H15 | 84.7° | 156.1° |
| O2 | C10 | N3 | H16 | 134.9° | 173.9° |
| C10 | N3 | C11 | H16 | 180.0° | 179.3° |
| C10 | N3 | C11 | C12 | 113.0° | 71.8° |
| N3 | C10 | C9 | H14 | 24.5° | 141.6° |
| N3 | C10 | C9 | H15 | 95.1° | 24.6° |
| C10 | N3 | C11 | H17 | 127.1° | 167.2° |
| C10 | N3 | C11 | H18 | 6.9° | 49.7° |
| N3 | C11 | C12 | H17 | 119.9° | 120.9° |
| N3 | C11 | C12 | H18 | 119.9° | 121.2° |
| N3 | C11 | C12 | C13 | 138.5° | 101.7° |
| N3 | C11 | C12 | C19 | 40.0° | 77.3° |
| N3 | C11 | H17 | H18 | 120.3° | 118.2° |
| C11 | C12 | C13 | C19 | 178.6° | 179.0° |
| C11 | C12 | C13 | C14 | 179.0° | 179.5° |
| C11 | C12 | C19 | C17 | 178.5° | 179.6° |
| C12 | C11 | N3 | H16 | 66.9° | 108.9° |
| C12 | C11 | H17 | H18 | 120.2° | 119.0° |
| C11 | C12 | C13 | H19 | 1.0° | 0.5° |
| C11 | C12 | C19 | H26 | 1.6° | 1.0° |
| C12 | C13 | C14 | H19 | 180.0° | 179.0° |
| C12 | C13 | C14 | C15 | 179.5° | 179.3° |
| C12 | C13 | C14 | C16 | 1.6° | 4.2° |
| C13 | C12 | C19 | C17 | 0.0° | 0.6° |
| C13 | C12 | C11 | H17 | 18.6° | 137.4° |
| C13 | C12 | C11 | H18 | 101.6° | 19.5° |
| C13 | C12 | C19 | H26 | 179.9° | 180.0° |
| C19 | C12 | C13 | C14 | 0.4° | 1.5° |
| C12 | C19 | C17 | C16 | 0.8° | 2.5° |
| C12 | C19 | C17 | C18 | 178.7° | 178.9° |
| C12 | C19 | C17 | H26 | 180.0° | 179.4° |
| C19 | C12 | C11 | H17 | 159.9° | 43.6° |
| C19 | C12 | C11 | H18 | 79.9° | 161.5° |
| C19 | C12 | C13 | H19 | 179.6° | 179.5° |
| C13 | C14 | C15 | C16 | 177.8° | 174.8° |
| C13 | C14 | C16 | C17 | 2.3° | 6.1° |
| C13 | C14 | C16 | N4 | 177.6° | 179.0° |
| C13 | C14 | C15 | H20 | 91.0° | 109.9° |
| C13 | C14 | C15 | H21 | 149.0° | 9.7° |
| C13 | C14 | C15 | H22 | 29.0° | 129.3° |
| C15 | C14 | C16 | C17 | 179.9° | 179.2° |
| C15 | C14 | C16 | N4 | 0.2° | 6.3° |
| C15 | C14 | C13 | H19 | 0.5° | 1.7° |
| C14 | C15 | H20 | H21 | 120.0° | 120.7° |
| C14 | C15 | H20 | H22 | 120.0° | 120.7° |
| C14 | C15 | H21 | H22 | 120.0° | 120.3° |
| C14 | C16 | C17 | N4 | 180.0° | 172.9° |
| C14 | C16 | C17 | C18 | 177.5° | 176.3° |
| C14 | C16 | C17 | C19 | 2.0° | 5.3° |
| C14 | C16 | N4 | C20 | 95.8° | 38.5° |
| C14 | C16 | N4 | C22 | 84.2° | 126.2° |
| C16 | C14 | C13 | H19 | 178.4° | 176.8° |
| C16 | C14 | C15 | H20 | 91.2° | 75.4° |
| C16 | C14 | C15 | H21 | 28.8° | 165.0° |
| C16 | C14 | C15 | H22 | 148.8° | 45.5° |
| C16 | C17 | C18 | C19 | 179.5° | 178.4° |
| C17 | C16 | N4 | C20 | 84.2° | 134.4° |
| C17 | C16 | N4 | C22 | 95.7° | 60.9° |
| C16 | C17 | C18 | H23 | 89.7° | 158.7° |
| C16 | C17 | C18 | H24 | 150.3° | 39.3° |
| C16 | C17 | C18 | H25 | 30.3° | 81.3° |
| C16 | C17 | C19 | H26 | 179.2° | 178.1° |
| N4 | C16 | C17 | C18 | 2.5° | 3.4° |
| N4 | C16 | C17 | C19 | 178.0° | 178.2° |
| C16 | N4 | C20 | C22 | 180.0° | 167.0° |
| C16 | N4 | C20 | RU1 | 0.0° | 100.3° |
| C16 | N4 | C20 | N5 | 180.0° | 166.5° |
| C16 | N4 | C22 | C21 | 180.0° | 168.0° |
| C16 | N4 | C22 | H28 | 60.4° | 73.4° |
| C16 | N4 | C22 | H41 | 60.5° | 48.9° |
| C17 | C18 | H23 | H24 | 120.0° | 120.2° |
| C17 | C18 | H23 | H25 | 120.0° | 120.3° |
| C17 | C18 | H24 | H25 | 120.0° | 120.5° |
| C18 | C17 | C19 | H26 | 1.2° | 0.4° |
| C19 | C17 | C18 | H23 | 89.8° | 22.9° |
| C19 | C17 | C18 | H24 | 30.2° | 142.3° |
| C19 | C17 | C18 | H25 | 150.2° | 97.1° |
| N4 | C20 | RU1 | N5 | 179.9° | 112.9° |
| N4 | C20 | RU1 | CL1 | 99.5° | 14.1° |
| N4 | C20 | RU1 | CL2 | 90.6° | 101.9° |
| N4 | C20 | N5 | C21 | 0.0° | 15.9° |
| C20 | N4 | C22 | C21 | 0.0° | 24.9° |
| N4 | C20 | N5 | C23 | 161.9° | 171.9° |
| C20 | N4 | C22 | H28 | 119.5° | 93.7° |
| C20 | N4 | C22 | H41 | 119.5° | 144.0° |
| C22 | N4 | C20 | RU1 | 180.0° | 66.8° |
| C22 | N4 | C20 | N5 | 0.0° | 26.5° |
| N4 | C22 | C21 | N5 | 0.0° | 15.3° |
| N4 | C22 | C21 | H28 | 119.6° | 118.8° |
| N4 | C22 | C21 | H41 | 119.5° | 120.4° |
| N4 | C22 | C21 | H27 | 119.4° | 104.5° |
| N4 | C22 | H28 | H41 | 121.4° | 124.6° |
| N4 | C22 | C21 | H40 | 119.3° | 134.4° |
| C20 | RU1 | CL1 | CL2 | 89.0° | 120.4° |
| RU1 | C20 | N5 | C21 | 179.9° | 70.7° |
| RU1 | C20 | N5 | C23 | 18.0° | 101.6° |
| N5 | C20 | RU1 | CL1 | 80.5° | 126.9° |
| N5 | C20 | RU1 | CL2 | 89.4° | 11.0° |
| C20 | N5 | C21 | C23 | 162.5° | 172.2° |
| C20 | N5 | C21 | C22 | 0.0° | 1.3° |
| C20 | N5 | C23 | C24 | 80.0° | 132.7° |
| C20 | N5 | C23 | C30 | 100.2° | 54.8° |
| C20 | N5 | C21 | H27 | 119.4° | 117.3° |
| C20 | N5 | C21 | H40 | 119.3° | 120.5° |
| N5 | C21 | C22 | H27 | 119.4° | 119.7° |
| N5 | C21 | C22 | H40 | 119.4° | 119.2° |
| C21 | N5 | C23 | C24 | 119.9° | 56.3° |
| C21 | N5 | C23 | C30 | 59.9° | 116.2° |
| N5 | C21 | H27 | H40 | 122.0° | 123.6° |
| N5 | C21 | C22 | H28 | 119.6° | 103.5° |
| N5 | C21 | C22 | H41 | 119.5° | 135.6° |
| C22 | C21 | N5 | C23 | 162.5° | 170.9° |
| C22 | C21 | H27 | H40 | 121.9° | 122.5° |
| C21 | C22 | H28 | H41 | 121.3° | 122.1° |
| C24 | C23 | C30 | N5 | 179.8° | 172.5° |
| C23 | C24 | C25 | C26 | 178.7° | 173.4° |
| C23 | C24 | C26 | C27 | 0.1° | 4.5° |
| C24 | C23 | C30 | C29 | 4.3° | 4.7° |
| C24 | C23 | C30 | C31 | 178.1° | 176.7° |
| C23 | C24 | C25 | H29 | 90.9° | 154.2° |
| C23 | C24 | C25 | H30 | 149.1° | 85.6° |
| C23 | C24 | C25 | H31 | 29.1° | 34.6° |
| C23 | C24 | C26 | H32 | 179.8° | 176.8° |
| C30 | C23 | C24 | C25 | 178.4° | 179.4° |
| C30 | C23 | C24 | C26 | 3.0° | 6.0° |
| C23 | C30 | C29 | C27 | 2.3° | 1.7° |
| C23 | C30 | C29 | C31 | 177.6° | 178.6° |
| C23 | C30 | C29 | H36 | 177.7° | 178.4° |
| C23 | C30 | C31 | H37 | 88.8° | 179.0° |
| C23 | C30 | C31 | H38 | 151.2° | 59.4° |
| C23 | C30 | C31 | H39 | 31.2° | 61.3° |
| C25 | C24 | C26 | C27 | 178.7° | 178.3° |
| C25 | C24 | C23 | N5 | 1.8° | 8.1° |
| C24 | C25 | H29 | H30 | 120.0° | 120.4° |
| C24 | C25 | H29 | H31 | 120.0° | 120.2° |
| C24 | C25 | H30 | H31 | 120.0° | 120.4° |
| C25 | C24 | C26 | H32 | 1.3° | 3.0° |
| C24 | C26 | C27 | H32 | 180.0° | 178.7° |
| C24 | C26 | C27 | C28 | 179.7° | 178.7° |
| C24 | C26 | C27 | C29 | 2.2° | 1.5° |
| C26 | C24 | C23 | N5 | 176.8° | 178.5° |
| C26 | C24 | C25 | H29 | 90.4° | 19.2° |
| C26 | C24 | C25 | H30 | 29.5° | 101.0° |
| C26 | C24 | C25 | H31 | 149.6° | 138.8° |
| C26 | C27 | C28 | C29 | 177.4° | 179.7° |
| C26 | C27 | C29 | C30 | 1.1° | 0.1° |
| C26 | C27 | C28 | H33 | 88.6° | 151.8° |
| C26 | C27 | C28 | H34 | 151.4° | 31.8° |
| C26 | C27 | C28 | H35 | 31.4° | 88.2° |
| C26 | C27 | C29 | H36 | 178.9° | 179.9° |
| C28 | C27 | C29 | C30 | 178.6° | 179.8° |
| C28 | C27 | C26 | H32 | 0.3° | 0.0° |
| C27 | C28 | H33 | H34 | 120.0° | 120.4° |
| C27 | C28 | H33 | H35 | 120.0° | 120.2° |
| C27 | C28 | H34 | H35 | 120.0° | 120.1° |
| C28 | C27 | C29 | H36 | 1.4° | 0.3° |
| C27 | C29 | C30 | H36 | 180.0° | 179.8° |
| C27 | C29 | C30 | C31 | 179.8° | 179.6° |
| C29 | C27 | C26 | H32 | 177.7° | 179.8° |
| C29 | C27 | C28 | H33 | 88.8° | 28.5° |
| C29 | C27 | C28 | H34 | 31.2° | 148.5° |
| C29 | C27 | C28 | H35 | 151.2° | 91.5° |
| C29 | C30 | C23 | N5 | 175.5° | 177.3° |
| C29 | C30 | C31 | H37 | 88.9° | 0.4° |
| C29 | C30 | C31 | H38 | 31.1° | 119.2° |
| C29 | C30 | C31 | H39 | 151.1° | 120.1° |
| C31 | C30 | C23 | N5 | 2.1° | 4.2° |
| C31 | C30 | C29 | H36 | 0.2° | 0.2° |
| C30 | C31 | H37 | H38 | 120.0° | 120.5° |
| C30 | C31 | H37 | H39 | 120.0° | 120.0° |
| C30 | C31 | H38 | H39 | 120.0° | 120.4° |
| C23 | N5 | C21 | H27 | 78.1° | 70.5° |
| C23 | N5 | C21 | H40 | 43.2° | 51.8° |
| H1 | N2 | C2 | H2 | 57.5° | 57.8° |
| H2 | C2 | C3 | H3 | 27.6° | 92.5° |
| H2 | C2 | C3 | H4 | 92.8° | 27.6° |
| H2 | C2 | C4 | H6 | 2.4° | 5.5° |
| H5 | N1 | C4 | H6 | 60.5° | 65.7° |
| H6 | C4 | C5 | H7 | 40.0° | 43.1° |
| H7 | C5 | C6 | H8 | 165.7° | 168.8° |
| H7 | C5 | C6 | H9 | 75.6° | 75.6° |
| H8 | C6 | C7 | H10 | 179.2° | 162.5° |
| H8 | C6 | C7 | H11 | 59.2° | 81.5° |
| H9 | C6 | C7 | H10 | 60.5° | 46.7° |
| H9 | C6 | C7 | H11 | 177.9° | 162.8° |
| H10 | C7 | C8 | H12 | 178.0° | 164.3° |
| H10 | C7 | C8 | H13 | 61.2° | 48.7° |
| H11 | C7 | C8 | H12 | 56.4° | 80.3° |
| H11 | C7 | C8 | H13 | 177.2° | 164.2° |
| H12 | C8 | C9 | H14 | 69.8° | 83.4° |
| H12 | C8 | C9 | H15 | 49.8° | 159.5° |
| H13 | C8 | C9 | H14 | 169.4° | 32.3° |
| H13 | C8 | C9 | H15 | 71.0° | 84.8° |
| H16 | N3 | C11 | H17 | 53.0° | 12.1° |
| H16 | N3 | C11 | H18 | 173.2° | 129.6° |
| H20 | C15 | H21 | H22 | 120.0° | 119.4° |
| H23 | C18 | H24 | H25 | 120.0° | 119.1° |
| H27 | C21 | C22 | H28 | 121.1° | 136.7° |
| H27 | C21 | C22 | H41 | 0.1° | 15.9° |
| H28 | C22 | C21 | H40 | 0.2° | 15.6° |
| H29 | C25 | H30 | H31 | 120.0° | 118.8° |
| H33 | C28 | H34 | H35 | 120.0° | 119.5° |
| H37 | C31 | H38 | H39 | 120.0° | 118.9° |
| H40 | C21 | C22 | H41 | 121.1° | 105.2° |
