9RU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | doub | 1.22Å | 1.28Å | |
| C1 | N2 | sing | 1.34Å | 1.30Å | |
| C1 | N1 | sing | 1.34Å | 1.38Å | |
| N2 | C2 | sing | 1.47Å | 1.45Å | |
| C2 | C3 | sing | 1.54Å | 1.55Å | |
| C2 | C4 | sing | 1.53Å | 1.66Å | |
| C3 | S1 | sing | 1.84Å | 1.80Å | |
| S1 | C5 | sing | 1.84Å | 1.79Å | |
| N1 | C4 | sing | 1.47Å | 1.47Å | |
| C4 | C5 | sing | 1.54Å | 1.52Å | |
| C5 | C6 | sing | 1.53Å | 1.58Å | |
| C6 | C7 | sing | 1.53Å | 1.52Å | |
| C7 | C8 | sing | 1.53Å | 1.58Å | |
| C8 | C9 | sing | 1.53Å | 1.55Å | |
| C9 | C10 | sing | 1.51Å | 1.51Å | |
| C10 | O2 | doub | 1.21Å | 1.25Å | |
| C10 | N3 | sing | 1.35Å | 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 | 1.38Å | 1.42Å | Aromatic |
| C14 | C15 | sing | 1.51Å | 1.53Å | |
| C14 | C16 | doub | 1.40Å | 1.41Å | Aromatic |
| C16 | C17 | sing | 1.40Å | 1.42Å | Aromatic |
| C16 | N4 | sing | 1.37Å | 1.43Å | |
| C17 | C18 | sing | 1.51Å | 1.49Å | |
| C17 | C19 | doub | 1.38Å | 1.42Å | Aromatic |
| N4 | C20 | doub | 1.29Å | 1.42Å | |
| N4 | C22 | sing | 1.47Å | 1.47Å | |
| C20 | RU1 | sing | 1.99Å | 1.79Å | |
| C20 | N5 | sing | 1.36Å | 1.43Å | |
| RU1 | CL1 | sing | 2.20Å | 2.23Å | |
| RU1 | CL2 | sing | 2.20Å | 2.29Å | |
| N5 | C21 | sing | 1.47Å | 1.44Å | |
| C21 | C22 | sing | 1.54Å | 1.51Å | |
| C23 | C24 | doub | 1.39Å | 1.44Å | Aromatic |
| C23 | C30 | sing | 1.39Å | 1.38Å | Aromatic |
| C24 | C25 | sing | 1.51Å | 1.45Å | |
| C24 | C26 | sing | 1.38Å | 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 | 1.38Å | 1.39Å | Aromatic |
| C30 | C31 | sing | 1.51Å | 1.48Å | |
| N5 | C23 | sing | 1.40Å | 1.69Å | |
| N2 | H1 | sing | 0.97Å | 1.00Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| N1 | H5 | sing | 0.97Å | 1.00Å | |
| C4 | 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 | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| N3 | H16 | sing | 0.97Å | 1.00Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C13 | H19 | sing | 1.08Å | 1.08Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C15 | H21 | sing | 1.09Å | 1.10Å | |
| C15 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| C19 | H26 | sing | 1.08Å | 1.08Å | |
| C21 | H27 | sing | 1.09Å | 1.10Å | |
| C22 | H28 | sing | 1.09Å | 1.10Å | |
| C25 | H29 | sing | 1.09Å | 1.10Å | |
| C25 | H30 | sing | 1.09Å | 1.10Å | |
| C25 | H31 | sing | 1.09Å | 1.10Å | |
| C26 | H32 | sing | 1.08Å | 1.08Å | |
| C28 | H33 | sing | 1.09Å | 1.10Å | |
| C28 | H34 | sing | 1.09Å | 1.10Å | |
| C28 | H35 | sing | 1.09Å | 1.10Å | |
| C29 | H36 | sing | 1.08Å | 1.08Å | |
| C31 | H37 | sing | 1.09Å | 1.10Å | |
| C31 | H38 | sing | 1.09Å | 1.10Å | |
| C31 | H39 | sing | 1.09Å | 1.10Å | |
| C21 | H40 | sing | 1.09Å | 1.10Å | |
| C22 | H41 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | N2 | 122.2° | 123.0° |
| O1 | C1 | N1 | 124.1° | 123.1° |
| N2 | C1 | N1 | 113.4° | 113.9° |
| C1 | N2 | C2 | 115.8° | 109.0° |
| C1 | N2 | H1 | 122.1° | 125.5° |
| C1 | N1 | C4 | 107.5° | 109.1° |
| C1 | N1 | H5 | 126.2° | 125.4° |
| N2 | C2 | C3 | 110.5° | 109.2° |
| N2 | C2 | C4 | 97.9° | 104.0° |
| C2 | N2 | H1 | 122.1° | 125.5° |
| N2 | C2 | H2 | 115.2° | 110.2° |
| C3 | C2 | C4 | 106.6° | 112.4° |
| C2 | C3 | S1 | 108.4° | 102.7° |
| C3 | C2 | H2 | 113.5° | 110.2° |
| C2 | C3 | H3 | 109.7° | 110.7° |
| C2 | C3 | H4 | 109.8° | 110.7° |
| C2 | C4 | N1 | 105.0° | 104.0° |
| C2 | C4 | C5 | 106.2° | 112.4° |
| C4 | C2 | H2 | 111.8° | 110.6° |
| C2 | C4 | H6 | 109.3° | 110.3° |
| C3 | S1 | C5 | 89.6° | 94.8° |
| S1 | C3 | H3 | 109.8° | 110.8° |
| S1 | C3 | H4 | 109.7° | 110.8° |
| S1 | C5 | C4 | 107.5° | 102.7° |
| S1 | C5 | C6 | 110.5° | 110.8° |
| S1 | C5 | H7 | 105.7° | 110.8° |
| N1 | C4 | C5 | 112.8° | 109.0° |
| C4 | N1 | H5 | 126.2° | 125.5° |
| N1 | C4 | H6 | 111.9° | 110.4° |
| C4 | C5 | C6 | 116.0° | 110.8° |
| C5 | C4 | H6 | 111.2° | 110.5° |
| C4 | C5 | H7 | 108.6° | 110.8° |
| C5 | C6 | C7 | 113.9° | 109.5° |
| C6 | C5 | H7 | 108.0° | 110.8° |
| C5 | C6 | H8 | 108.4° | 109.5° |
| C5 | C6 | H9 | 108.4° | 109.5° |
| C6 | C7 | C8 | 104.4° | 109.5° |
| C7 | C6 | H8 | 108.4° | 109.4° |
| C7 | C6 | H9 | 108.4° | 109.4° |
| C6 | C7 | H10 | 110.7° | 109.4° |
| C6 | C7 | H11 | 110.7° | 109.5° |
| C7 | C8 | C9 | 107.0° | 109.5° |
| C8 | C7 | H10 | 110.7° | 109.5° |
| C8 | C7 | H11 | 110.8° | 109.5° |
| C7 | C8 | H12 | 110.1° | 109.5° |
| C7 | C8 | H13 | 110.1° | 109.5° |
| C8 | C9 | C10 | 110.8° | 109.5° |
| C9 | C8 | H12 | 110.1° | 109.4° |
| C9 | C8 | H13 | 110.1° | 109.5° |
| C8 | C9 | H14 | 109.1° | 109.5° |
| C8 | C9 | H15 | 109.1° | 109.5° |
| C9 | C10 | O2 | 119.5° | 119.9° |
| C9 | C10 | N3 | 121.3° | 120.0° |
| C10 | C9 | H14 | 109.1° | 109.4° |
| C10 | C9 | H15 | 109.1° | 109.5° |
| O2 | C10 | N3 | 119.2° | 120.0° |
| C10 | N3 | C11 | 123.4° | 120.0° |
| C10 | N3 | H16 | 118.3° | 120.0° |
| N3 | C11 | C12 | 108.9° | 109.5° |
| C11 | N3 | H16 | 118.3° | 120.0° |
| N3 | C11 | H17 | 109.6° | 109.5° |
| N3 | C11 | H18 | 109.6° | 109.5° |
| C11 | C12 | C13 | 117.4° | 119.9° |
| C11 | C12 | C19 | 124.1° | 119.9° |
| C12 | C11 | H17 | 109.6° | 109.5° |
| C12 | C11 | H18 | 109.6° | 109.5° |
| C13 | C12 | C19 | 118.5° | 120.3° |
| C12 | C13 | C14 | 122.8° | 120.1° |
| C12 | C13 | H19 | 118.6° | 119.9° |
| C12 | C19 | C17 | 119.2° | 120.2° |
| C12 | C19 | H26 | 120.4° | 119.9° |
| C13 | C14 | C15 | 118.7° | 120.1° |
| C13 | C14 | C16 | 119.4° | 119.8° |
| C14 | C13 | H19 | 118.6° | 119.9° |
| C15 | C14 | C16 | 121.9° | 120.1° |
| C14 | C15 | H20 | 109.5° | 109.5° |
| C14 | C15 | H21 | 109.5° | 109.5° |
| C14 | C15 | H22 | 109.5° | 109.5° |
| C14 | C16 | C17 | 118.0° | 119.7° |
| C14 | C16 | N4 | 119.3° | 120.1° |
| C17 | C16 | N4 | 122.7° | 120.2° |
| C16 | C17 | C18 | 122.2° | 120.0° |
| C16 | C17 | C19 | 122.0° | 119.8° |
| C16 | N4 | C20 | 130.6° | 125.0° |
| C16 | N4 | C22 | 120.4° | 125.0° |
| C18 | C17 | C19 | 115.8° | 120.1° |
| C17 | C18 | H23 | 109.5° | 109.5° |
| C17 | C18 | H24 | 109.4° | 109.4° |
| C17 | C18 | H25 | 109.5° | 109.5° |
| C17 | C19 | H26 | 120.4° | 119.9° |
| C20 | N4 | C22 | 109.0° | 110.1° |
| N4 | C20 | RU1 | 123.9° | 122.8° |
| N4 | C20 | N5 | 108.1° | 114.4° |
| N4 | C22 | C21 | 106.5° | 103.9° |
| N4 | C22 | H28 | 110.2° | 110.5° |
| N4 | C22 | H41 | 110.2° | 110.5° |
| RU1 | C20 | N5 | 128.0° | 122.7° |
| C20 | RU1 | CL1 | 90.9° | 120.0° |
| C20 | RU1 | CL2 | 88.9° | 120.0° |
| C20 | N5 | C21 | 111.2° | 108.4° |
| C20 | N5 | C23 | 124.6° | 125.8° |
| CL1 | RU1 | CL2 | 169.9° | 120.0° |
| N5 | C21 | C22 | 105.2° | 103.2° |
| C21 | N5 | C23 | 121.6° | 125.8° |
| N5 | C21 | H27 | 110.5° | 110.7° |
| N5 | C21 | H40 | 110.5° | 110.7° |
| C22 | C21 | H27 | 110.5° | 110.8° |
| C21 | C22 | H28 | 110.2° | 110.7° |
| C22 | C21 | H40 | 110.5° | 110.5° |
| C21 | C22 | H41 | 110.2° | 110.5° |
| C24 | C23 | C30 | 117.6° | 119.9° |
| C23 | C24 | C25 | 129.5° | 120.1° |
| C23 | C24 | C26 | 118.7° | 119.9° |
| C24 | C23 | N5 | 118.5° | 120.1° |
| C23 | C30 | C29 | 123.0° | 119.9° |
| C23 | C30 | C31 | 118.7° | 120.1° |
| C30 | C23 | N5 | 124.0° | 120.0° |
| C25 | C24 | C26 | 111.8° | 120.0° |
| C24 | C25 | H29 | 109.5° | 109.4° |
| C24 | C25 | H30 | 109.5° | 109.5° |
| C24 | C25 | H31 | 109.4° | 109.5° |
| C24 | C26 | C27 | 123.0° | 120.1° |
| C24 | C26 | H32 | 118.5° | 120.0° |
| C26 | C27 | C28 | 122.8° | 119.9° |
| C26 | C27 | C29 | 118.0° | 120.2° |
| C27 | C26 | H32 | 118.5° | 120.0° |
| C28 | C27 | C29 | 119.2° | 119.9° |
| C27 | C28 | H33 | 109.5° | 109.5° |
| C27 | C28 | H34 | 109.5° | 109.5° |
| C27 | C28 | H35 | 109.5° | 109.4° |
| C27 | C29 | C30 | 119.7° | 120.1° |
| C27 | C29 | H36 | 120.2° | 120.0° |
| C29 | C30 | C31 | 118.3° | 120.0° |
| C30 | C29 | H36 | 120.1° | 120.0° |
| C30 | C31 | H37 | 109.5° | 109.5° |
| C30 | C31 | H38 | 109.5° | 109.5° |
| C30 | C31 | H39 | 109.5° | 109.5° |
| H3 | C3 | H4 | 109.5° | 110.8° |
| H8 | C6 | H9 | 109.4° | 109.5° |
| H10 | C7 | H11 | 109.5° | 109.5° |
| H12 | C8 | H13 | 109.5° | 109.4° |
| H14 | C9 | H15 | 109.5° | 109.4° |
| H17 | C11 | H18 | 109.5° | 109.5° |
| H20 | C15 | H21 | 109.5° | 109.5° |
| H20 | C15 | H22 | 109.5° | 109.4° |
| H21 | C15 | H22 | 109.5° | 109.5° |
| H23 | C18 | H24 | 109.5° | 109.4° |
| H23 | C18 | H25 | 109.5° | 109.5° |
| H24 | C18 | H25 | 109.5° | 109.4° |
| H27 | C21 | H40 | 109.4° | 110.8° |
| H28 | C22 | H41 | 109.5° | 110.6° |
| H29 | C25 | H30 | 109.4° | 109.5° |
| H29 | C25 | H31 | 109.5° | 109.5° |
| H30 | C25 | H31 | 109.5° | 109.5° |
| H33 | C28 | H34 | 109.5° | 109.5° |
| H33 | C28 | H35 | 109.5° | 109.5° |
| H34 | C28 | H35 | 109.4° | 109.5° |
| H37 | C31 | H38 | 109.5° | 109.4° |
| H37 | C31 | H39 | 109.5° | 109.4° |
| H38 | C31 | H39 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | N2 | N1 | 173.7° | 179.7° |
| O1 | C1 | N2 | C2 | 178.7° | 179.9° |
| O1 | C1 | N1 | C4 | 177.1° | 179.9° |
| O1 | C1 | N2 | H1 | 1.3° | 0.1° |
| O1 | C1 | N1 | H5 | 2.9° | 0.2° |
| C1 | N2 | C2 | H1 | 180.0° | 180.0° |
| C1 | N2 | C2 | C3 | 107.3° | 120.2° |
| C1 | N2 | C2 | C4 | 3.8° | 0.1° |
| N2 | C1 | N1 | C4 | 3.6° | 0.4° |
| C1 | N2 | C2 | H2 | 122.4° | 118.6° |
| N2 | C1 | N1 | H5 | 176.4° | 179.9° |
| N1 | C1 | N2 | C2 | 5.1° | 0.2° |
| C1 | N1 | C4 | C2 | 1.1° | 0.4° |
| C1 | N1 | C4 | H5 | 180.0° | 179.7° |
| C1 | N1 | C4 | C5 | 114.2° | 120.5° |
| N1 | C1 | N2 | H1 | 174.9° | 179.8° |
| C1 | N1 | C4 | H6 | 119.5° | 117.9° |
| N2 | C2 | C3 | C4 | 105.4° | 114.9° |
| N2 | C2 | C3 | H2 | 131.1° | 121.2° |
| N2 | C2 | C4 | H2 | 121.2° | 118.3° |
| N2 | C2 | C3 | S1 | 81.5° | 90.3° |
| N2 | C2 | C4 | N1 | 1.4° | 0.3° |
| N2 | C2 | C4 | C5 | 121.2° | 118.0° |
| N2 | C2 | C3 | H3 | 158.7° | 151.4° |
| N2 | C2 | C3 | H4 | 38.4° | 28.0° |
| N2 | C2 | C4 | H6 | 118.9° | 118.1° |
| C3 | C2 | C4 | H2 | 124.6° | 123.6° |
| C2 | C3 | S1 | H3 | 119.8° | 118.3° |
| C2 | C3 | S1 | H4 | 119.8° | 118.3° |
| C2 | C3 | S1 | C5 | 39.4° | 34.7° |
| C3 | C2 | C4 | N1 | 112.8° | 117.8° |
| C3 | C2 | C4 | C5 | 6.9° | 0.0° |
| C3 | C2 | N2 | H1 | 72.7° | 59.8° |
| C2 | C3 | H3 | H4 | 120.5° | 123.3° |
| C3 | C2 | C4 | H6 | 126.9° | 123.8° |
| C4 | C2 | C3 | S1 | 23.9° | 24.6° |
| C2 | C4 | C5 | S1 | 35.2° | 24.6° |
| C2 | C4 | N1 | C5 | 115.2° | 120.1° |
| C2 | C4 | N1 | H6 | 118.5° | 118.3° |
| C2 | C4 | C5 | H6 | 118.8° | 123.7° |
| C2 | C4 | C5 | C6 | 159.4° | 142.9° |
| C4 | C2 | N2 | H1 | 176.2° | 180.0° |
| C4 | C2 | C3 | H3 | 95.9° | 93.7° |
| C4 | C2 | C3 | H4 | 143.8° | 143.0° |
| C2 | C4 | N1 | H5 | 179.0° | 179.9° |
| C2 | C4 | C5 | H7 | 78.8° | 93.7° |
| C3 | S1 | C5 | C4 | 44.1° | 34.7° |
| C3 | S1 | C5 | C6 | 171.7° | 153.0° |
| S1 | C3 | C2 | H2 | 147.4° | 148.4° |
| S1 | C3 | H3 | H4 | 120.5° | 123.4° |
| C3 | S1 | C5 | H7 | 71.8° | 83.6° |
| S1 | C5 | C4 | N1 | 79.4° | 90.1° |
| S1 | C5 | C4 | C6 | 124.3° | 118.3° |
| S1 | C5 | C4 | H7 | 114.0° | 118.3° |
| S1 | C5 | C6 | H7 | 115.2° | 123.4° |
| S1 | C5 | C6 | C7 | 70.1° | 66.5° |
| C5 | S1 | C3 | H3 | 80.4° | 83.6° |
| C5 | S1 | C3 | H4 | 159.3° | 153.0° |
| S1 | C5 | C4 | H6 | 153.9° | 148.3° |
| S1 | C5 | C6 | H8 | 50.5° | 53.5° |
| S1 | C5 | C6 | H9 | 169.2° | 173.6° |
| N1 | C4 | C5 | H6 | 126.7° | 121.6° |
| N1 | C4 | C5 | C6 | 44.9° | 28.2° |
| N1 | C4 | C2 | H2 | 122.6° | 118.6° |
| N1 | C4 | C5 | H7 | 166.7° | 151.6° |
| C4 | C5 | C6 | H7 | 122.1° | 123.4° |
| C4 | C5 | C6 | C7 | 167.2° | 179.7° |
| C5 | C4 | C2 | H2 | 117.6° | 123.6° |
| C5 | C4 | N1 | H5 | 65.8° | 59.8° |
| C4 | C5 | C6 | H8 | 72.2° | 59.8° |
| C4 | C5 | C6 | H9 | 46.5° | 60.3° |
| C5 | C6 | C7 | H8 | 120.7° | 120.0° |
| C5 | C6 | C7 | H9 | 120.7° | 120.0° |
| C5 | C6 | C7 | C8 | 179.3° | NaN° |
| C6 | C5 | C4 | H6 | 81.8° | 93.4° |
| C5 | C6 | H8 | H9 | 118.0° | 120.1° |
| C5 | C6 | C7 | H10 | 60.1° | 60.0° |
| C5 | C6 | C7 | H11 | 61.5° | 60.0° |
| C6 | C7 | C8 | H10 | 119.2° | 119.9° |
| C6 | C7 | C8 | H11 | 119.2° | 120.0° |
| C6 | C7 | C8 | C9 | 177.6° | 180.0° |
| C7 | C6 | C5 | H7 | 45.0° | 56.9° |
| C7 | C6 | H8 | H9 | 118.0° | 120.0° |
| C6 | C7 | H10 | H11 | 122.3° | 120.0° |
| C6 | C7 | C8 | H12 | 62.8° | 60.0° |
| C6 | C7 | C8 | H13 | 58.0° | 60.0° |
| C7 | C8 | C9 | H12 | 119.6° | 120.0° |
| C7 | C8 | C9 | H13 | 119.6° | 120.0° |
| C7 | C8 | C9 | C10 | 70.4° | 180.0° |
| C8 | C7 | C6 | H8 | 60.0° | 60.0° |
| C8 | C7 | C6 | H9 | 58.6° | 60.0° |
| C8 | C7 | H10 | H11 | 122.4° | 120.0° |
| C7 | C8 | H12 | H13 | 121.2° | 120.0° |
| C7 | C8 | C9 | H14 | 49.8° | 60.0° |
| C7 | C8 | C9 | H15 | 169.4° | 60.0° |
| C8 | C9 | C10 | H14 | 120.2° | 120.0° |
| C8 | C9 | C10 | H15 | 120.2° | 120.1° |
| C8 | C9 | C10 | O2 | 35.5° | 0.0° |
| C8 | C9 | C10 | N3 | 144.7° | 180.0° |
| C9 | C8 | C7 | H10 | 58.4° | 60.1° |
| C9 | C8 | C7 | H11 | 63.2° | 60.0° |
| C9 | C8 | H12 | H13 | 121.1° | 120.0° |
| C8 | C9 | H14 | H15 | 119.4° | 120.0° |
| C9 | C10 | O2 | N3 | 179.8° | 180.0° |
| C9 | C10 | N3 | C11 | 134.7° | 180.0° |
| C10 | C9 | C8 | H12 | 170.0° | 60.0° |
| C10 | C9 | C8 | H13 | 49.2° | 59.9° |
| C10 | C9 | H14 | H15 | 119.4° | 120.0° |
| C9 | C10 | N3 | H16 | 45.3° | 0.0° |
| O2 | C10 | N3 | C11 | 45.1° | 0.0° |
| O2 | C10 | C9 | H14 | 155.8° | 120.0° |
| O2 | C10 | C9 | H15 | 84.7° | 120.0° |
| O2 | C10 | N3 | H16 | 134.9° | 180.0° |
| C10 | N3 | C11 | H16 | 180.0° | 180.0° |
| C10 | N3 | C11 | C12 | 113.0° | 180.0° |
| N3 | C10 | C9 | H14 | 24.5° | 60.0° |
| N3 | C10 | C9 | H15 | 95.1° | 59.9° |
| C10 | N3 | C11 | H17 | 127.1° | 60.0° |
| C10 | N3 | C11 | H18 | 6.9° | 60.0° |
| N3 | C11 | C12 | H17 | 119.9° | 120.0° |
| N3 | C11 | C12 | H18 | 119.9° | 120.0° |
| N3 | C11 | C12 | C13 | 138.5° | 90.0° |
| N3 | C11 | C12 | C19 | 40.0° | 90.3° |
| N3 | C11 | H17 | H18 | 120.3° | 120.0° |
| C11 | C12 | C13 | C19 | 178.6° | 179.7° |
| C11 | C12 | C13 | C14 | 179.0° | 180.0° |
| C11 | C12 | C19 | C17 | 178.5° | 179.8° |
| C12 | C11 | N3 | H16 | 66.9° | 0.0° |
| C12 | C11 | H17 | H18 | 120.2° | 120.0° |
| C11 | C12 | C13 | H19 | 1.0° | 0.0° |
| C11 | C12 | C19 | H26 | 1.6° | 0.1° |
| C12 | C13 | C14 | H19 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 179.5° | 180.0° |
| C12 | C13 | C14 | C16 | 1.6° | 0.0° |
| C13 | C12 | C19 | C17 | 0.0° | 0.5° |
| C13 | C12 | C11 | H17 | 18.6° | 30.0° |
| C13 | C12 | C11 | H18 | 101.6° | 150.0° |
| C13 | C12 | C19 | H26 | 179.9° | 179.7° |
| C19 | C12 | C13 | C14 | 0.4° | 0.3° |
| C12 | C19 | C17 | C16 | 0.8° | 0.5° |
| C12 | C19 | C17 | C18 | 178.7° | 179.8° |
| C12 | C19 | C17 | H26 | 180.0° | 179.8° |
| C19 | C12 | C11 | H17 | 159.9° | 149.7° |
| C19 | C12 | C11 | H18 | 79.9° | 29.7° |
| C19 | C12 | C13 | H19 | 179.6° | 179.8° |
| C13 | C14 | C15 | C16 | 177.8° | 180.0° |
| C13 | C14 | C16 | C17 | 2.3° | 0.0° |
| C13 | C14 | C16 | N4 | 177.6° | 180.0° |
| C13 | C14 | C15 | H20 | 91.0° | 90.0° |
| C13 | C14 | C15 | H21 | 149.0° | 150.0° |
| C13 | C14 | C15 | H22 | 29.0° | 30.0° |
| C15 | C14 | C16 | C17 | 179.9° | 180.0° |
| C15 | C14 | C16 | N4 | 0.2° | 0.0° |
| C15 | C14 | C13 | H19 | 0.5° | 0.0° |
| C14 | C15 | H20 | H21 | 120.0° | 120.0° |
| C14 | C15 | H20 | H22 | 120.0° | 120.0° |
| C14 | C15 | H21 | H22 | 120.0° | 120.1° |
| C14 | C16 | C17 | N4 | 180.0° | 180.0° |
| C14 | C16 | C17 | C18 | 177.5° | 180.0° |
| C14 | C16 | C17 | C19 | 2.0° | 0.2° |
| C14 | C16 | N4 | C20 | 95.8° | 90.0° |
| C14 | C16 | N4 | C22 | 84.2° | 90.3° |
| C16 | C14 | C13 | H19 | 178.4° | 179.9° |
| C16 | C14 | C15 | H20 | 91.2° | 90.1° |
| C16 | C14 | C15 | H21 | 28.8° | 29.9° |
| C16 | C14 | C15 | H22 | 148.8° | 150.0° |
| C16 | C17 | C18 | C19 | 179.5° | 179.8° |
| C17 | C16 | N4 | C20 | 84.2° | 90.0° |
| C17 | C16 | N4 | C22 | 95.7° | 89.7° |
| C16 | C17 | C18 | H23 | 89.7° | 90.0° |
| C16 | C17 | C18 | H24 | 150.3° | 150.0° |
| C16 | C17 | C18 | H25 | 30.3° | 30.0° |
| C16 | C17 | C19 | H26 | 179.2° | 179.7° |
| N4 | C16 | C17 | C18 | 2.5° | 0.0° |
| N4 | C16 | C17 | C19 | 178.0° | 179.8° |
| C16 | N4 | C20 | C22 | 180.0° | 179.7° |
| C16 | N4 | C20 | RU1 | 0.0° | 0.0° |
| C16 | N4 | C20 | N5 | 180.0° | 180.0° |
| C16 | N4 | C22 | C21 | 180.0° | 180.0° |
| C16 | N4 | C22 | H28 | 60.4° | 61.3° |
| C16 | N4 | C22 | H41 | 60.5° | 61.4° |
| C17 | C18 | H23 | H24 | 120.0° | 120.0° |
| C17 | C18 | H23 | H25 | 120.0° | 120.1° |
| C17 | C18 | H24 | H25 | 120.0° | 120.0° |
| C18 | C17 | C19 | H26 | 1.2° | 0.0° |
| C19 | C17 | C18 | H23 | 89.8° | 89.7° |
| C19 | C17 | C18 | H24 | 30.2° | 30.2° |
| C19 | C17 | C18 | H25 | 150.2° | 150.2° |
| N4 | C20 | RU1 | N5 | 179.9° | 180.0° |
| N4 | C20 | RU1 | CL1 | 99.5° | 0.0° |
| N4 | C20 | RU1 | CL2 | 90.6° | 180.0° |
| N4 | C20 | N5 | C21 | 0.0° | 0.0° |
| C20 | N4 | C22 | C21 | 0.0° | 0.3° |
| N4 | C20 | N5 | C23 | 161.9° | 180.0° |
| C20 | N4 | C22 | H28 | 119.5° | 118.4° |
| C20 | N4 | C22 | H41 | 119.5° | 118.8° |
| C22 | N4 | C20 | RU1 | 180.0° | 179.7° |
| C22 | N4 | C20 | N5 | 0.0° | 0.2° |
| N4 | C22 | C21 | N5 | 0.0° | 0.3° |
| N4 | C22 | C21 | H28 | 119.6° | 118.6° |
| N4 | C22 | C21 | H41 | 119.5° | 118.6° |
| N4 | C22 | C21 | H27 | 119.4° | 118.2° |
| N4 | C22 | H28 | H41 | 121.4° | 122.7° |
| N4 | C22 | C21 | H40 | 119.3° | 118.7° |
| C20 | RU1 | CL1 | CL2 | 89.0° | 180.0° |
| RU1 | C20 | N5 | C21 | 179.9° | 179.9° |
| RU1 | C20 | N5 | C23 | 18.0° | 0.0° |
| N5 | C20 | RU1 | CL1 | 80.5° | 180.0° |
| N5 | C20 | RU1 | CL2 | 89.4° | 0.0° |
| C20 | N5 | C21 | C23 | 162.5° | 179.9° |
| C20 | N5 | C21 | C22 | 0.0° | 0.2° |
| C20 | N5 | C23 | C24 | 80.0° | 90.0° |
| C20 | N5 | C23 | C30 | 100.2° | 90.3° |
| C20 | N5 | C21 | H27 | 119.4° | 118.4° |
| C20 | N5 | C21 | H40 | 119.3° | 118.4° |
| N5 | C21 | C22 | H27 | 119.4° | 118.5° |
| N5 | C21 | C22 | H40 | 119.4° | 118.4° |
| C21 | N5 | C23 | C24 | 119.9° | 90.0° |
| C21 | N5 | C23 | C30 | 59.9° | 89.8° |
| N5 | C21 | H27 | H40 | 122.0° | 123.2° |
| N5 | C21 | C22 | H28 | 119.6° | 118.3° |
| N5 | C21 | C22 | H41 | 119.5° | 118.8° |
| C22 | C21 | N5 | C23 | 162.5° | 179.8° |
| C22 | C21 | H27 | H40 | 121.9° | 123.0° |
| C21 | C22 | H28 | H41 | 121.3° | 122.7° |
| C24 | C23 | C30 | N5 | 179.8° | 179.7° |
| C23 | C24 | C25 | C26 | 178.7° | 180.0° |
| C23 | C24 | C26 | C27 | 0.1° | 0.0° |
| C24 | C23 | C30 | C29 | 4.3° | 0.5° |
| C24 | C23 | C30 | C31 | 178.1° | 179.7° |
| C23 | C24 | C25 | H29 | 90.9° | 90.0° |
| C23 | C24 | C25 | H30 | 149.1° | 150.0° |
| C23 | C24 | C25 | H31 | 29.1° | 30.0° |
| C23 | C24 | C26 | H32 | 179.8° | 180.0° |
| C30 | C23 | C24 | C25 | 178.4° | 179.8° |
| C30 | C23 | C24 | C26 | 3.0° | 0.3° |
| C23 | C30 | C29 | C27 | 2.3° | 0.5° |
| C23 | C30 | C29 | C31 | 177.6° | 179.8° |
| C23 | C30 | C29 | H36 | 177.7° | 179.8° |
| C23 | C30 | C31 | H37 | 88.8° | 90.0° |
| C23 | C30 | C31 | H38 | 151.2° | 150.0° |
| C23 | C30 | C31 | H39 | 31.2° | 30.0° |
| C25 | C24 | C26 | C27 | 178.7° | 180.0° |
| C25 | C24 | C23 | N5 | 1.8° | 0.0° |
| C24 | C25 | H29 | H30 | 120.0° | 120.0° |
| C24 | C25 | H29 | H31 | 120.0° | 120.0° |
| C24 | C25 | H30 | H31 | 120.0° | 120.0° |
| C25 | C24 | C26 | H32 | 1.3° | 0.0° |
| C24 | C26 | C27 | H32 | 180.0° | 180.0° |
| C24 | C26 | C27 | C28 | 179.7° | 180.0° |
| C24 | C26 | C27 | C29 | 2.2° | 0.0° |
| C26 | C24 | C23 | N5 | 176.8° | 180.0° |
| C26 | C24 | C25 | H29 | 90.4° | 90.0° |
| C26 | C24 | C25 | H30 | 29.5° | 30.0° |
| C26 | C24 | C25 | H31 | 149.6° | 150.0° |
| C26 | C27 | C28 | C29 | 177.4° | 179.9° |
| C26 | C27 | C29 | C30 | 1.1° | 0.2° |
| C26 | C27 | C28 | H33 | 88.6° | 90.0° |
| C26 | C27 | C28 | H34 | 151.4° | 150.0° |
| C26 | C27 | C28 | H35 | 31.4° | 30.0° |
| C26 | C27 | C29 | H36 | 178.9° | 179.9° |
| C28 | C27 | C29 | C30 | 178.6° | 179.7° |
| C28 | C27 | C26 | H32 | 0.3° | 0.0° |
| C27 | C28 | H33 | H34 | 120.0° | 120.0° |
| C27 | C28 | H33 | H35 | 120.0° | 120.0° |
| C27 | C28 | H34 | H35 | 120.0° | 120.0° |
| C28 | C27 | C29 | H36 | 1.4° | 0.0° |
| C27 | C29 | C30 | H36 | 180.0° | 179.7° |
| C27 | C29 | C30 | C31 | 179.8° | 179.7° |
| C29 | C27 | C26 | H32 | 177.7° | 180.0° |
| C29 | C27 | C28 | H33 | 88.8° | 89.9° |
| C29 | C27 | C28 | H34 | 31.2° | 30.0° |
| C29 | C27 | C28 | H35 | 151.2° | 150.0° |
| C29 | C30 | C23 | N5 | 175.5° | 179.7° |
| C29 | C30 | C31 | H37 | 88.9° | 89.8° |
| C29 | C30 | C31 | H38 | 31.1° | 30.2° |
| C29 | C30 | C31 | H39 | 151.1° | 150.3° |
| C31 | C30 | C23 | N5 | 2.1° | 0.0° |
| C31 | C30 | C29 | H36 | 0.2° | 0.0° |
| C30 | C31 | H37 | H38 | 120.0° | 120.0° |
| C30 | C31 | H37 | H39 | 120.0° | 120.0° |
| C30 | C31 | H38 | H39 | 120.0° | 120.0° |
| C23 | N5 | C21 | H27 | 78.1° | 61.7° |
| C23 | N5 | C21 | H40 | 43.2° | 61.6° |
| H1 | N2 | C2 | H2 | 57.5° | 61.4° |
| H2 | C2 | C3 | H3 | 27.6° | 30.1° |
| H2 | C2 | C3 | H4 | 92.8° | 93.2° |
| H2 | C2 | C4 | H6 | 2.4° | 0.2° |
| H5 | N1 | C4 | H6 | 60.5° | 61.8° |
| H6 | C4 | C5 | H7 | 40.0° | 30.0° |
| H7 | C5 | C6 | H8 | 165.7° | 176.9° |
| H7 | C5 | C6 | H9 | 75.6° | 63.1° |
| H8 | C6 | C7 | H10 | 179.2° | 180.0° |
| H8 | C6 | C7 | H11 | 59.2° | 60.0° |
| H9 | C6 | C7 | H10 | 60.5° | 60.0° |
| H9 | C6 | C7 | H11 | 177.9° | 180.0° |
| H10 | C7 | C8 | H12 | 178.0° | 180.0° |
| H10 | C7 | C8 | H13 | 61.2° | 60.0° |
| H11 | C7 | C8 | H12 | 56.4° | 60.0° |
| H11 | C7 | C8 | H13 | 177.2° | 180.0° |
| H12 | C8 | C9 | H14 | 69.8° | 180.0° |
| H12 | C8 | C9 | H15 | 49.8° | 60.1° |
| H13 | C8 | C9 | H14 | 169.4° | 60.0° |
| H13 | C8 | C9 | H15 | 71.0° | 180.0° |
| H16 | N3 | C11 | H17 | 53.0° | 120.0° |
| H16 | N3 | C11 | H18 | 173.2° | 120.0° |
| H20 | C15 | H21 | H22 | 120.0° | 119.9° |
| H23 | C18 | H24 | H25 | 120.0° | 120.0° |
| H27 | C21 | C22 | H28 | 121.1° | 123.2° |
| H27 | C21 | C22 | H41 | 0.1° | 0.4° |
| H28 | C22 | C21 | H40 | 0.2° | 0.1° |
| H29 | C25 | H30 | H31 | 120.0° | 120.0° |
| H33 | C28 | H34 | H35 | 120.0° | 120.1° |
| H37 | C31 | H38 | H39 | 120.0° | 120.0° |
| H40 | C21 | C22 | H41 | 121.1° | 122.8° |
