OJR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | C6 | sing | 1.47Å | 1.53Å | |
| N | C7 | sing | 1.47Å | 1.55Å | |
| C6 | C5 | sing | 1.53Å | 1.54Å | |
| C7 | C8 | sing | 1.53Å | 1.54Å | |
| C5 | C4 | sing | 1.53Å | 1.56Å | |
| C8 | C4 | sing | 1.53Å | 1.56Å | |
| C4 | C3 | sing | 1.51Å | 1.50Å | |
| C3 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.42Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.40Å | Aromatic |
| C2 | C1 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C | doub | 1.39Å | 1.39Å | Aromatic |
| C1 | C | sing | 1.39Å | 1.38Å | Aromatic |
| N2 | N1 | sing | 1.41Å | 1.32Å | Aromatic |
| N2 | N3 | doub | 1.29Å | 1.33Å | Aromatic |
| C | C11 | sing | 1.48Å | 1.45Å | |
| N1 | C13 | sing | 1.36Å | 1.37Å | Aromatic |
| N3 | N4 | sing | 1.28Å | 1.34Å | Aromatic |
| C13 | N4 | doub | 1.32Å | 1.32Å | Aromatic |
| C13 | C12 | sing | 1.48Å | 1.48Å | |
| C11 | C12 | doub | 1.41Å | 1.39Å | Aromatic |
| C11 | C23 | sing | 1.39Å | 1.40Å | Aromatic |
| C12 | C14 | sing | 1.39Å | 1.43Å | Aromatic |
| C23 | C22 | doub | 1.38Å | 1.40Å | Aromatic |
| O | S | doub | 1.42Å | 1.46Å | |
| C14 | S | sing | 1.76Å | 1.77Å | |
| C14 | C15 | doub | 1.38Å | 1.42Å | Aromatic |
| C22 | C15 | sing | 1.39Å | 1.40Å | Aromatic |
| S | N5 | sing | 1.66Å | 1.62Å | |
| S | O1 | doub | 1.42Å | 1.43Å | |
| C15 | C16 | sing | 1.51Å | 1.51Å | |
| C21 | C17 | sing | 1.53Å | 1.56Å | |
| C21 | C20 | sing | 1.53Å | 1.56Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| C20 | N6 | sing | 1.47Å | 1.54Å | |
| C18 | C19 | sing | 1.53Å | 1.54Å | |
| N6 | C19 | sing | 1.47Å | 1.53Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| N5 | H8 | sing | 0.97Å | 1.00Å | |
| N5 | H9 | sing | 0.97Å | 1.00Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C16 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| C21 | H13 | sing | 1.09Å | 1.10Å | |
| C21 | H14 | sing | 1.09Å | 1.10Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| N6 | H17 | sing | 1.01Å | 1.00Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H23 | sing | 1.08Å | 1.08Å | |
| C23 | H24 | sing | 1.08Å | 1.08Å | |
| C10 | H25 | sing | 1.08Å | 1.08Å | |
| C9 | H26 | sing | 1.08Å | 1.08Å | |
| C1 | H27 | sing | 1.08Å | 1.08Å | |
| C8 | H28 | sing | 1.09Å | 1.10Å | |
| C8 | H29 | sing | 1.09Å | 1.10Å | |
| C7 | H30 | sing | 1.09Å | 1.10Å | |
| C7 | H31 | sing | 1.09Å | 1.10Å | |
| N | H32 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | N | C7 | 111.9° | 111.2° |
| N | C6 | C5 | 109.7° | 109.5° |
| N | C6 | H6 | 109.4° | 109.5° |
| N | C6 | H7 | 109.4° | 109.5° |
| C6 | N | H32 | 108.9° | 111.0° |
| N | C7 | C8 | 110.1° | 109.5° |
| N | C7 | H30 | 109.3° | 109.5° |
| N | C7 | H31 | 109.3° | 109.5° |
| C7 | N | H32 | 108.9° | 111.0° |
| C6 | C5 | C4 | 110.7° | 109.2° |
| C6 | C5 | H4 | 109.1° | 109.5° |
| C6 | C5 | H5 | 109.2° | 109.5° |
| C5 | C6 | H6 | 109.4° | 109.4° |
| C5 | C6 | H7 | 109.4° | 109.4° |
| C7 | C8 | C4 | 111.3° | 109.3° |
| C7 | C8 | H28 | 109.1° | 109.5° |
| C7 | C8 | H29 | 109.0° | 109.5° |
| C8 | C7 | H30 | 109.3° | 109.4° |
| C8 | C7 | H31 | 109.3° | 109.5° |
| C5 | C4 | C8 | 109.8° | 109.2° |
| C5 | C4 | C3 | 111.4° | 109.5° |
| C5 | C4 | H3 | 108.6° | 109.5° |
| C4 | C5 | H4 | 109.2° | 109.5° |
| C4 | C5 | H5 | 109.2° | 109.5° |
| C8 | C4 | C3 | 108.7° | 109.5° |
| C8 | C4 | H3 | 108.8° | 109.5° |
| C4 | C8 | H28 | 109.0° | 109.5° |
| C4 | C8 | H29 | 109.0° | 109.4° |
| C4 | C3 | C9 | 121.1° | 119.9° |
| C4 | C3 | C2 | 120.0° | 119.8° |
| C3 | C4 | H3 | 109.5° | 109.5° |
| C9 | C3 | C2 | 118.8° | 120.3° |
| C3 | C9 | C10 | 121.1° | 120.2° |
| C3 | C9 | H26 | 119.5° | 119.9° |
| C3 | C2 | C1 | 119.4° | 120.1° |
| C3 | C2 | H2 | 120.3° | 120.0° |
| C9 | C10 | C | 119.9° | 119.8° |
| C9 | C10 | H25 | 120.1° | 120.1° |
| C10 | C9 | H26 | 119.4° | 119.9° |
| C2 | C1 | C | 121.3° | 119.8° |
| C1 | C2 | H2 | 120.3° | 119.9° |
| C2 | C1 | H27 | 119.4° | 120.1° |
| C10 | C | C1 | 119.4° | 119.8° |
| C10 | C | C11 | 120.2° | 120.1° |
| C | C10 | H25 | 120.1° | 120.1° |
| C1 | C | C11 | 120.3° | 120.1° |
| C | C1 | H27 | 119.3° | 120.1° |
| N1 | N2 | N3 | 109.5° | 106.9° |
| N2 | N1 | C13 | 104.6° | 105.2° |
| N2 | N1 | H1 | 127.7° | 127.4° |
| N2 | N3 | N4 | 109.5° | 110.4° |
| C | C11 | C12 | 121.8° | 120.2° |
| C | C11 | C23 | 120.5° | 120.2° |
| N1 | C13 | N4 | 110.9° | 107.0° |
| N1 | C13 | C12 | 124.7° | 126.5° |
| C13 | N1 | H1 | 127.7° | 127.4° |
| N3 | N4 | C13 | 105.4° | 110.5° |
| N4 | C13 | C12 | 124.2° | 126.5° |
| C13 | C12 | C11 | 117.1° | 120.2° |
| C13 | C12 | C14 | 120.1° | 120.2° |
| C12 | C11 | C23 | 117.6° | 119.6° |
| C11 | C12 | C14 | 122.3° | 119.6° |
| C11 | C23 | C22 | 121.2° | 120.1° |
| C11 | C23 | H24 | 119.4° | 120.0° |
| C12 | C14 | S | 118.7° | 120.0° |
| C12 | C14 | C15 | 118.9° | 120.0° |
| C23 | C22 | C15 | 121.8° | 120.4° |
| C23 | C22 | H23 | 119.1° | 119.8° |
| C22 | C23 | H24 | 119.4° | 120.0° |
| O | S | C14 | 106.9° | 106.4° |
| O | S | N5 | 106.9° | 106.4° |
| O | S | O1 | 115.1° | 123.1° |
| S | C14 | C15 | 122.2° | 120.0° |
| C14 | S | N5 | 109.5° | 107.2° |
| C14 | S | O1 | 107.3° | 106.4° |
| C14 | C15 | C22 | 117.9° | 120.3° |
| C14 | C15 | C16 | 126.1° | 119.8° |
| C22 | C15 | C16 | 115.9° | 119.8° |
| C15 | C22 | H23 | 119.1° | 119.7° |
| N5 | S | O1 | 111.1° | 106.4° |
| S | N5 | H8 | 109.5° | 120.0° |
| S | N5 | H9 | 109.5° | 120.0° |
| C15 | C16 | C17 | 115.3° | 109.4° |
| C15 | C16 | H10 | 108.0° | 109.5° |
| C15 | C16 | H11 | 108.0° | 109.5° |
| C17 | C21 | C20 | 114.3° | 109.3° |
| C21 | C17 | C16 | 111.5° | 109.5° |
| C21 | C17 | C18 | 111.6° | 109.2° |
| C21 | C17 | H12 | 108.0° | 109.6° |
| C17 | C21 | H13 | 108.3° | 109.5° |
| C17 | C21 | H14 | 108.2° | 109.5° |
| C21 | C20 | N6 | 108.5° | 109.5° |
| C20 | C21 | H13 | 108.2° | 109.5° |
| C20 | C21 | H14 | 108.3° | 109.5° |
| C21 | C20 | H15 | 109.7° | 109.4° |
| C21 | C20 | H16 | 109.7° | 109.5° |
| C16 | C17 | C18 | 108.5° | 109.5° |
| C17 | C16 | H10 | 108.0° | 109.5° |
| C17 | C16 | H11 | 108.0° | 109.5° |
| C16 | C17 | H12 | 108.5° | 109.5° |
| C17 | C18 | C19 | 112.8° | 109.2° |
| C18 | C17 | H12 | 108.6° | 109.5° |
| C17 | C18 | H21 | 108.6° | 109.5° |
| C17 | C18 | H22 | 108.6° | 109.5° |
| C20 | N6 | C19 | 111.4° | 111.2° |
| N6 | C20 | H15 | 109.7° | 109.5° |
| N6 | C20 | H16 | 109.7° | 109.4° |
| C20 | N6 | H17 | 109.0° | 111.0° |
| C18 | C19 | N6 | 110.6° | 109.5° |
| C18 | C19 | H19 | 109.2° | 109.4° |
| C18 | C19 | H20 | 109.2° | 109.5° |
| C19 | C18 | H21 | 108.6° | 109.5° |
| C19 | C18 | H22 | 108.6° | 109.5° |
| C19 | N6 | H17 | 108.9° | 111.0° |
| N6 | C19 | H19 | 109.2° | 109.4° |
| N6 | C19 | H20 | 109.2° | 109.5° |
| H4 | C5 | H5 | 109.5° | 109.5° |
| H6 | C6 | H7 | 109.5° | 109.5° |
| H8 | N5 | H9 | 109.5° | 120.0° |
| H10 | C16 | H11 | 109.5° | 109.5° |
| H13 | C21 | H14 | 109.5° | 109.6° |
| H15 | C20 | H16 | 109.5° | 109.5° |
| H19 | C19 | H20 | 109.5° | 109.4° |
| H21 | C18 | H22 | 109.5° | 109.5° |
| H28 | C8 | H29 | 109.4° | 109.5° |
| H30 | C7 | H31 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | N | C7 | H32 | 120.4° | 124.0° |
| N | C6 | C5 | H6 | 120.0° | 120.0° |
| N | C6 | C5 | H7 | 120.0° | 120.0° |
| C6 | N | C7 | C8 | 57.0° | 61.8° |
| N | C6 | C5 | C4 | 58.3° | 59.2° |
| N | C6 | C5 | H4 | 61.8° | 179.1° |
| N | C6 | C5 | H5 | 178.6° | 60.8° |
| N | C6 | H6 | H7 | 119.9° | 120.1° |
| C6 | N | C7 | H30 | 63.2° | 178.2° |
| C6 | N | C7 | H31 | 177.0° | 58.2° |
| C7 | N | C6 | C5 | 58.2° | 61.8° |
| N | C7 | C8 | H30 | 120.1° | 120.0° |
| N | C7 | C8 | H31 | 120.1° | 120.0° |
| N | C7 | C8 | C4 | 55.7° | 59.2° |
| C7 | N | C6 | H6 | 178.3° | 58.2° |
| C7 | N | C6 | H7 | 61.8° | 178.2° |
| N | C7 | C8 | H28 | 176.0° | 60.8° |
| N | C7 | C8 | H29 | 64.6° | 179.1° |
| N | C7 | H30 | H31 | 119.7° | 120.0° |
| C6 | C5 | C4 | H4 | 120.2° | 120.0° |
| C6 | C5 | C4 | H5 | 120.2° | 120.0° |
| C6 | C5 | C4 | C8 | 57.5° | 57.6° |
| C6 | C5 | C4 | C3 | 177.9° | 177.5° |
| C6 | C5 | C4 | H3 | 61.3° | 62.3° |
| C6 | C5 | H4 | H5 | 119.4° | 120.2° |
| C5 | C6 | H6 | H7 | 119.9° | 119.9° |
| C5 | C6 | N | H32 | 178.6° | 174.1° |
| C7 | C8 | C4 | C5 | 56.3° | 57.7° |
| C7 | C8 | C4 | H28 | 120.3° | 120.0° |
| C7 | C8 | C4 | H29 | 120.3° | 119.9° |
| C7 | C8 | C4 | C3 | 178.4° | 177.6° |
| C7 | C8 | C4 | H3 | 62.4° | 62.3° |
| C7 | C8 | H28 | H29 | 119.2° | 120.2° |
| C8 | C7 | H30 | H31 | 119.7° | 120.0° |
| C8 | C7 | N | H32 | 177.3° | 174.1° |
| C5 | C4 | C8 | C3 | 122.1° | 119.9° |
| C5 | C4 | C8 | H3 | 118.7° | 119.9° |
| C5 | C4 | C3 | H3 | 120.2° | 120.1° |
| C5 | C4 | C3 | C9 | 122.5° | 120.2° |
| C5 | C4 | C3 | C2 | 54.5° | 60.0° |
| C4 | C5 | H4 | H5 | 119.4° | 120.1° |
| C4 | C5 | C6 | H6 | 178.4° | 60.9° |
| C4 | C5 | C6 | H7 | 61.7° | 179.2° |
| C5 | C4 | C8 | H28 | 176.6° | 62.3° |
| C5 | C4 | C8 | H29 | 64.0° | 177.6° |
| C8 | C4 | C3 | H3 | 118.7° | 120.2° |
| C8 | C4 | C3 | C9 | 116.4° | 120.1° |
| C8 | C4 | C3 | C2 | 66.6° | 59.8° |
| C8 | C4 | C5 | H4 | 62.7° | 177.6° |
| C8 | C4 | C5 | H5 | 177.7° | 62.3° |
| C4 | C8 | H28 | H29 | 119.2° | 120.0° |
| C4 | C8 | C7 | H30 | 64.4° | 179.2° |
| C4 | C8 | C7 | H31 | 175.8° | 60.8° |
| C4 | C3 | C9 | C2 | 177.0° | 179.9° |
| C4 | C3 | C9 | C10 | 177.4° | 179.5° |
| C4 | C3 | C2 | C1 | 177.7° | 179.9° |
| C4 | C3 | C2 | H2 | 2.3° | 0.2° |
| C3 | C4 | C5 | H4 | 57.8° | 62.5° |
| C3 | C4 | C5 | H5 | 61.9° | 57.6° |
| C4 | C3 | C9 | H26 | 2.5° | 0.4° |
| C3 | C4 | C8 | H28 | 61.3° | 57.6° |
| C3 | C4 | C8 | H29 | 58.1° | 62.5° |
| C3 | C9 | C10 | H26 | 180.0° | 179.1° |
| C9 | C3 | C2 | C1 | 0.7° | 0.1° |
| C3 | C9 | C10 | C | 0.2° | 0.9° |
| C9 | C3 | C2 | H2 | 179.4° | 179.7° |
| C9 | C3 | C4 | H3 | 2.3° | 0.0° |
| C3 | C9 | C10 | H25 | 179.8° | 179.7° |
| C2 | C3 | C9 | C10 | 0.4° | 0.6° |
| C3 | C2 | C1 | H2 | 180.0° | 179.7° |
| C3 | C2 | C1 | C | 0.2° | 0.3° |
| C2 | C3 | C4 | H3 | 174.7° | 179.9° |
| C2 | C3 | C9 | H26 | 179.5° | 179.7° |
| C3 | C2 | C1 | H27 | 179.8° | 179.7° |
| C9 | C10 | C | H25 | 180.0° | 179.4° |
| C9 | C10 | C | C1 | 0.7° | 0.5° |
| C9 | C10 | C | C11 | 179.4° | 179.4° |
| C2 | C1 | C | C10 | 0.4° | 0.0° |
| C2 | C1 | C | H27 | 180.0° | 180.0° |
| C2 | C1 | C | C11 | 179.2° | 180.0° |
| C10 | C | C1 | C11 | 178.7° | 180.0° |
| C10 | C | C11 | C12 | 103.2° | 122.3° |
| C10 | C | C11 | C23 | 78.9° | 58.1° |
| C | C10 | C9 | H26 | 179.8° | 180.0° |
| C10 | C | C1 | H27 | 179.6° | 180.0° |
| C1 | C | C11 | C12 | 75.5° | 57.7° |
| C1 | C | C11 | C23 | 102.4° | 121.9° |
| C | C1 | C2 | H2 | 179.8° | 180.0° |
| C1 | C | C10 | H25 | 179.4° | 180.0° |
| N2 | N1 | C13 | H1 | 180.0° | 179.7° |
| N1 | N2 | N3 | N4 | 0.5° | 0.2° |
| N2 | N1 | C13 | N4 | 0.5° | 0.3° |
| N2 | N1 | C13 | C12 | 174.6° | 179.8° |
| N3 | N2 | N1 | C13 | 0.0° | 0.0° |
| N2 | N3 | N4 | C13 | 0.8° | 0.4° |
| N3 | N2 | N1 | H1 | 180.0° | 179.8° |
| C | C11 | C12 | C13 | 8.4° | 0.3° |
| C | C11 | C12 | C23 | 177.9° | 179.7° |
| C | C11 | C12 | C14 | 179.7° | 179.7° |
| C | C11 | C23 | C22 | 176.1° | 179.7° |
| C | C11 | C23 | H24 | 3.9° | 0.3° |
| C11 | C | C10 | H25 | 0.6° | 0.0° |
| C11 | C | C1 | H27 | 0.8° | 0.0° |
| N1 | C13 | N4 | N3 | 0.8° | 0.4° |
| N1 | C13 | N4 | C12 | 175.1° | 180.0° |
| N1 | C13 | C12 | C11 | 60.8° | 173.2° |
| N1 | C13 | C12 | C14 | 127.1° | 6.8° |
| N3 | N4 | C13 | C12 | 174.3° | 179.6° |
| N4 | C13 | C12 | C11 | 113.7° | 6.8° |
| N4 | C13 | C12 | C14 | 58.4° | 173.2° |
| N4 | C13 | N1 | H1 | 179.5° | 180.0° |
| C13 | C12 | C11 | C14 | 171.9° | 180.0° |
| C13 | C12 | C11 | C23 | 169.5° | 179.9° |
| C13 | C12 | C14 | S | 17.7° | 0.0° |
| C13 | C12 | C14 | C15 | 166.5° | 180.0° |
| C12 | C13 | N1 | H1 | 5.4° | 0.0° |
| C12 | C11 | C23 | C22 | 1.8° | 0.1° |
| C11 | C12 | C14 | S | 170.7° | 180.0° |
| C11 | C12 | C14 | C15 | 5.1° | 0.0° |
| C12 | C11 | C23 | H24 | 178.2° | 180.0° |
| C23 | C11 | C12 | C14 | 2.4° | 0.1° |
| C11 | C23 | C22 | H24 | 180.0° | 180.0° |
| C11 | C23 | C22 | C15 | 3.3° | 0.0° |
| C11 | C23 | C22 | H23 | 176.7° | 180.0° |
| C12 | C14 | S | O | 32.9° | 71.2° |
| C12 | C14 | S | C15 | 175.6° | 179.9° |
| C12 | C14 | C15 | C22 | 3.5° | 0.0° |
| C12 | C14 | S | N5 | 82.5° | 175.3° |
| C12 | C14 | S | O1 | 156.9° | 61.7° |
| C12 | C14 | C15 | C16 | 173.5° | 180.0° |
| C23 | C22 | C15 | C14 | 0.6° | 0.0° |
| C23 | C22 | C15 | H23 | 180.0° | 180.0° |
| C23 | C22 | C15 | C16 | 177.9° | 180.0° |
| O | S | C14 | N5 | 115.5° | 113.5° |
| O | S | C14 | O1 | 123.9° | 132.9° |
| O | S | C14 | C15 | 142.7° | 108.8° |
| O | S | N5 | O1 | 126.3° | 132.9° |
| O | S | N5 | H8 | 180.0° | 138.7° |
| O | S | N5 | H9 | 60.0° | 41.4° |
| S | C14 | C15 | C22 | 172.2° | 179.9° |
| C14 | S | N5 | O1 | 118.3° | 113.6° |
| S | C14 | C15 | C16 | 10.9° | 0.0° |
| C14 | S | N5 | H8 | 64.6° | 107.8° |
| C14 | S | N5 | H9 | 55.4° | 72.2° |
| C14 | C15 | C22 | C16 | 177.3° | 180.0° |
| C15 | C14 | S | N5 | 101.8° | 4.7° |
| C15 | C14 | S | O1 | 18.8° | 118.2° |
| C14 | C15 | C16 | C17 | 111.7° | 173.1° |
| C14 | C15 | C16 | H10 | 127.5° | 66.9° |
| C14 | C15 | C16 | H11 | 9.2° | 53.1° |
| C14 | C15 | C22 | H23 | 179.4° | 180.0° |
| C22 | C15 | C16 | C17 | 71.3° | 6.9° |
| C22 | C15 | C16 | H10 | 49.5° | 113.1° |
| C22 | C15 | C16 | H11 | 167.8° | 126.9° |
| C15 | C22 | C23 | H24 | 176.7° | 180.0° |
| S | N5 | H8 | H9 | 120.0° | 180.0° |
| O1 | S | N5 | H8 | 53.7° | 5.8° |
| O1 | S | N5 | H9 | 173.7° | 174.2° |
| C15 | C16 | C17 | C21 | 52.4° | 66.5° |
| C15 | C16 | C17 | H10 | 120.9° | 120.0° |
| C15 | C16 | C17 | H11 | 120.9° | 120.0° |
| C15 | C16 | C17 | C18 | 175.7° | 173.9° |
| C15 | C16 | H10 | H11 | 117.4° | 120.0° |
| C15 | C16 | C17 | H12 | 66.5° | 53.8° |
| C16 | C15 | C22 | H23 | 2.1° | 0.0° |
| C17 | C21 | C20 | H13 | 120.7° | 119.9° |
| C17 | C21 | C20 | H14 | 120.7° | 119.9° |
| C21 | C17 | C16 | C18 | 123.3° | 119.7° |
| C21 | C17 | C16 | H12 | 118.9° | 120.3° |
| C21 | C17 | C18 | H12 | 119.0° | 120.0° |
| C17 | C21 | C20 | N6 | 53.0° | 59.2° |
| C21 | C17 | C18 | C19 | 49.5° | 57.7° |
| C21 | C17 | C16 | H10 | 173.3° | 173.5° |
| C21 | C17 | C16 | H11 | 68.5° | 53.5° |
| C17 | C21 | H13 | H14 | 117.8° | 120.1° |
| C17 | C21 | C20 | H15 | 172.8° | 179.2° |
| C17 | C21 | C20 | H16 | 66.8° | 60.8° |
| C21 | C17 | C18 | H21 | 169.9° | 177.6° |
| C21 | C17 | C18 | H22 | 71.0° | 62.2° |
| C20 | C21 | C17 | C16 | 170.9° | 177.5° |
| C20 | C21 | C17 | C18 | 49.4° | 57.7° |
| C21 | C20 | N6 | H15 | 119.8° | 120.0° |
| C21 | C20 | N6 | H16 | 119.8° | 120.0° |
| C21 | C20 | N6 | C19 | 58.1° | 61.8° |
| C20 | C21 | C17 | H12 | 69.9° | 62.3° |
| C20 | C21 | H13 | H14 | 117.8° | 120.1° |
| C21 | C20 | H15 | H16 | 120.5° | 120.0° |
| C21 | C20 | N6 | H17 | 62.1° | 62.3° |
| C16 | C17 | C18 | H12 | 117.8° | 120.1° |
| C16 | C17 | C18 | C19 | 172.7° | 177.6° |
| C17 | C16 | H10 | H11 | 117.3° | 120.0° |
| C16 | C17 | C21 | H13 | 50.2° | 57.6° |
| C16 | C17 | C21 | H14 | 68.4° | 62.5° |
| C16 | C17 | C18 | H21 | 66.8° | 62.5° |
| C16 | C17 | C18 | H22 | 52.2° | 57.6° |
| C17 | C18 | C19 | H21 | 120.5° | 120.0° |
| C17 | C18 | C19 | H22 | 120.5° | 120.0° |
| C17 | C18 | C19 | N6 | 55.4° | 59.2° |
| C18 | C17 | C16 | H10 | 63.4° | 53.9° |
| C18 | C17 | C16 | H11 | 54.8° | 66.1° |
| C18 | C17 | C21 | H13 | 71.3° | 62.2° |
| C18 | C17 | C21 | H14 | 170.1° | 177.6° |
| C17 | C18 | C19 | H19 | 64.8° | 179.2° |
| C17 | C18 | C19 | H20 | 175.6° | 60.9° |
| C17 | C18 | H21 | H22 | 118.5° | 120.1° |
| C20 | N6 | C19 | C18 | 60.2° | 61.7° |
| C20 | N6 | C19 | H17 | 120.3° | 124.1° |
| N6 | C20 | C21 | H13 | 67.7° | 60.7° |
| N6 | C20 | C21 | H14 | 173.7° | 179.1° |
| N6 | C20 | H15 | H16 | 120.5° | 120.0° |
| C20 | N6 | C19 | H19 | 60.0° | 178.3° |
| C20 | N6 | C19 | H20 | 179.6° | 58.3° |
| C18 | C19 | N6 | H19 | 120.2° | 120.0° |
| C18 | C19 | N6 | H20 | 120.2° | 120.0° |
| C19 | C18 | C17 | H12 | 69.5° | 62.4° |
| C18 | C19 | N6 | H17 | 60.1° | 62.3° |
| C18 | C19 | H19 | H20 | 119.5° | 120.0° |
| C19 | C18 | H21 | H22 | 118.5° | 120.1° |
| C19 | N6 | C20 | H15 | 178.0° | 178.3° |
| C19 | N6 | C20 | H16 | 61.7° | 58.3° |
| N6 | C19 | H19 | H20 | 119.5° | 120.0° |
| N6 | C19 | C18 | H21 | 175.9° | 179.2° |
| N6 | C19 | C18 | H22 | 65.1° | 60.8° |
| H2 | C2 | C1 | H27 | 0.2° | 0.0° |
| H3 | C4 | C5 | H4 | 178.5° | 57.6° |
| H3 | C4 | C5 | H5 | 58.9° | 177.7° |
| H3 | C4 | C8 | H28 | 57.9° | 177.7° |
| H3 | C4 | C8 | H29 | 177.3° | 57.7° |
| H4 | C5 | C6 | H6 | 58.2° | 59.1° |
| H4 | C5 | C6 | H7 | 178.1° | 60.9° |
| H5 | C5 | C6 | H6 | 61.4° | 179.2° |
| H5 | C5 | C6 | H7 | 58.5° | 59.3° |
| H6 | C6 | N | H32 | 61.4° | 65.9° |
| H7 | C6 | N | H32 | 58.5° | 54.2° |
| H10 | C16 | C17 | H12 | 54.4° | 66.2° |
| H11 | C16 | C17 | H12 | 172.6° | 173.8° |
| H12 | C17 | C21 | H13 | 169.4° | 177.8° |
| H12 | C17 | C21 | H14 | 50.8° | 57.6° |
| H12 | C17 | C18 | H21 | 51.0° | 57.6° |
| H12 | C17 | C18 | H22 | 170.0° | 177.7° |
| H13 | C21 | C20 | H15 | 52.1° | 59.3° |
| H13 | C21 | C20 | H16 | 172.5° | 179.3° |
| H14 | C21 | C20 | H15 | 66.5° | 60.9° |
| H14 | C21 | C20 | H16 | 53.9° | 59.1° |
| H15 | C20 | N6 | H17 | 57.7° | 57.6° |
| H16 | C20 | N6 | H17 | 178.0° | 177.6° |
| H17 | N6 | C19 | H19 | 179.7° | 57.6° |
| H17 | N6 | C19 | H20 | 60.1° | 177.6° |
| H19 | C19 | C18 | H21 | 55.7° | 60.8° |
| H19 | C19 | C18 | H22 | 174.8° | 59.2° |
| H20 | C19 | C18 | H21 | 64.0° | 59.1° |
| H20 | C19 | C18 | H22 | 55.1° | 179.2° |
| H23 | C22 | C23 | H24 | 3.3° | 0.0° |
| H25 | C10 | C9 | H26 | 0.2° | 0.6° |
| H28 | C8 | C7 | H30 | 55.9° | 59.3° |
| H28 | C8 | C7 | H31 | 63.9° | 179.2° |
| H29 | C8 | C7 | H30 | 175.3° | 60.9° |
| H29 | C8 | C7 | H31 | 55.5° | 59.1° |
| H30 | C7 | N | H32 | 57.2° | 54.2° |
| H31 | C7 | N | H32 | 62.6° | 65.8° |
