U7K
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C27 | C28 | doub | 1.36Å | 1.36Å | Aromatic |
| C27 | C22 | sing | 1.39Å | 1.38Å | Aromatic |
| C28 | C23 | sing | 1.40Å | 1.41Å | Aromatic |
| C22 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| C23 | C29 | sing | 1.40Å | 1.41Å | Aromatic |
| C23 | C20 | doub | 1.42Å | 1.42Å | Aromatic |
| C29 | N33 | doub | 1.31Å | 1.32Å | Aromatic |
| C19 | C20 | sing | 1.41Å | 1.43Å | Aromatic |
| C19 | N21 | sing | 1.39Å | 1.42Å | |
| C20 | C24 | sing | 1.40Å | 1.42Å | Aromatic |
| N33 | C30 | sing | 1.33Å | 1.34Å | Aromatic |
| C25 | N21 | sing | 1.47Å | 1.47Å | |
| C25 | C31 | sing | 1.53Å | 1.52Å | |
| N21 | C26 | sing | 1.47Å | 1.46Å | |
| O16 | C14 | sing | 1.43Å | 1.43Å | |
| C26 | C32 | sing | 1.53Å | 1.51Å | |
| C24 | C30 | doub | 1.36Å | 1.36Å | Aromatic |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C9 | C8 | sing | 1.53Å | 1.51Å | |
| C31 | N34 | sing | 1.47Å | 1.47Å | |
| C10 | C6 | sing | 1.51Å | 1.51Å | |
| N34 | C32 | sing | 1.47Å | 1.47Å | |
| N34 | C15 | sing | 1.35Å | 1.36Å | |
| C14 | C15 | sing | 1.51Å | 1.54Å | |
| C14 | C17 | sing | 1.53Å | 1.52Å | |
| C14 | C13 | sing | 1.53Å | 1.54Å | |
| C15 | O18 | doub | 1.21Å | 1.22Å | |
| C6 | C1 | doub | 1.37Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.41Å | 1.40Å | Aromatic |
| C8 | N7 | sing | 1.48Å | 1.47Å | |
| C1 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| N7 | C5 | sing | 1.40Å | 1.41Å | |
| N7 | C12 | sing | 1.37Å | 1.37Å | |
| C5 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | N35 | sing | 1.47Å | 1.47Å | |
| C2 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | N35 | doub | 1.31Å | 1.32Å | |
| C12 | S11 | sing | 1.77Å | 1.76Å | |
| C4 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | S11 | sing | 1.77Å | 1.73Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C22 | H12 | sing | 1.08Å | 1.08Å | |
| C24 | H13 | sing | 1.08Å | 1.08Å | |
| C27 | H14 | sing | 1.08Å | 1.08Å | |
| C30 | H15 | sing | 1.08Å | 1.08Å | |
| C31 | H16 | sing | 1.09Å | 1.10Å | |
| C31 | H17 | sing | 1.09Å | 1.10Å | |
| C32 | H18 | sing | 1.09Å | 1.10Å | |
| C32 | H19 | sing | 1.09Å | 1.10Å | |
| O16 | H20 | sing | 0.97Å | 0.95Å | |
| C17 | H21 | sing | 1.09Å | 1.10Å | |
| C17 | H22 | sing | 1.09Å | 1.10Å | |
| C17 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H27 | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C28 | C27 | C22 | 120.8° | 121.2° |
| C27 | C28 | C23 | 120.6° | 119.8° |
| C28 | C27 | H14 | 119.6° | 119.4° |
| C27 | C28 | H28 | 119.7° | 120.1° |
| C27 | C22 | C19 | 121.0° | 120.8° |
| C27 | C22 | H12 | 119.5° | 119.6° |
| C22 | C27 | H14 | 119.6° | 119.4° |
| C28 | C23 | C29 | 123.2° | 122.0° |
| C28 | C23 | C20 | 119.4° | 119.5° |
| C23 | C28 | H28 | 119.7° | 120.1° |
| C22 | C19 | C20 | 119.7° | 119.3° |
| C22 | C19 | N21 | 121.6° | 120.4° |
| C19 | C22 | H12 | 119.4° | 119.6° |
| C29 | C23 | C20 | 117.3° | 118.5° |
| C23 | C29 | N33 | 124.2° | 119.9° |
| C23 | C29 | H29 | 117.9° | 120.1° |
| C23 | C20 | C19 | 118.3° | 119.5° |
| C23 | C20 | C24 | 117.4° | 118.3° |
| C29 | N33 | C30 | 117.6° | 122.7° |
| N33 | C29 | H29 | 117.9° | 120.1° |
| C20 | C19 | N21 | 118.7° | 120.3° |
| C19 | C20 | C24 | 124.2° | 122.3° |
| C19 | N21 | C25 | 116.6° | 110.9° |
| C19 | N21 | C26 | 116.1° | 111.0° |
| C20 | C24 | C30 | 119.2° | 118.7° |
| C20 | C24 | H13 | 120.4° | 120.6° |
| N33 | C30 | C24 | 124.3° | 121.9° |
| N33 | C30 | H15 | 117.9° | 119.0° |
| N21 | C25 | C31 | 110.5° | 109.3° |
| C25 | N21 | C26 | 112.1° | 111.3° |
| N21 | C25 | H24 | 109.2° | 109.5° |
| N21 | C25 | H25 | 109.2° | 109.5° |
| C25 | C31 | N34 | 109.8° | 108.5° |
| C25 | C31 | H16 | 109.4° | 109.6° |
| C25 | C31 | H17 | 109.4° | 109.8° |
| C31 | C25 | H24 | 109.2° | 109.5° |
| C31 | C25 | H25 | 109.2° | 109.5° |
| N21 | C26 | C32 | 109.6° | 109.3° |
| N21 | C26 | H26 | 109.4° | 109.5° |
| N21 | C26 | H27 | 109.4° | 109.5° |
| O16 | C14 | C15 | 114.2° | 109.4° |
| O16 | C14 | C17 | 105.2° | 109.5° |
| O16 | C14 | C13 | 108.4° | 109.5° |
| C14 | O16 | H20 | 109.5° | 114.0° |
| C26 | C32 | N34 | 110.1° | 108.5° |
| C26 | C32 | H18 | 109.3° | 109.6° |
| C26 | C32 | H19 | 109.3° | 109.7° |
| C32 | C26 | H26 | 109.4° | 109.5° |
| C32 | C26 | H27 | 109.4° | 109.5° |
| C30 | C24 | H13 | 120.4° | 120.7° |
| C24 | C30 | H15 | 117.9° | 119.1° |
| C10 | C9 | C8 | 113.5° | 111.1° |
| C9 | C10 | C6 | 111.5° | 109.5° |
| C10 | C9 | H6 | 108.4° | 109.2° |
| C10 | C9 | H7 | 108.4° | 109.2° |
| C9 | C10 | H8 | 109.0° | 109.5° |
| C9 | C10 | H9 | 108.9° | 109.5° |
| C9 | C8 | N7 | 111.5° | 108.4° |
| C9 | C8 | H4 | 109.0° | 109.6° |
| C9 | C8 | H5 | 109.0° | 109.7° |
| C8 | C9 | H6 | 108.5° | 109.2° |
| C8 | C9 | H7 | 108.5° | 109.0° |
| C31 | N34 | C32 | 110.9° | 118.2° |
| C31 | N34 | C15 | 129.2° | 120.8° |
| N34 | C31 | H16 | 109.4° | 109.6° |
| N34 | C31 | H17 | 109.4° | 109.6° |
| C10 | C6 | C1 | 122.7° | 122.7° |
| C10 | C6 | C5 | 118.9° | 117.0° |
| C6 | C10 | H8 | 109.0° | 109.3° |
| C6 | C10 | H9 | 109.0° | 109.5° |
| C32 | N34 | C15 | 119.9° | 120.9° |
| N34 | C32 | H18 | 109.3° | 109.6° |
| N34 | C32 | H19 | 109.3° | 109.6° |
| N34 | C15 | C14 | 124.2° | 120.0° |
| N34 | C15 | O18 | 120.3° | 120.0° |
| C15 | C14 | C17 | 111.2° | 109.5° |
| C15 | C14 | C13 | 107.6° | 109.5° |
| C14 | C15 | O18 | 115.4° | 120.0° |
| C17 | C14 | C13 | 110.2° | 109.5° |
| C14 | C17 | H21 | 109.5° | 109.5° |
| C14 | C17 | H22 | 109.5° | 109.5° |
| C14 | C17 | H23 | 109.5° | 109.5° |
| C14 | C13 | N35 | 117.0° | 109.5° |
| C14 | C13 | H10 | 107.6° | 109.4° |
| C14 | C13 | H11 | 107.5° | 109.5° |
| C1 | C6 | C5 | 118.3° | 120.3° |
| C6 | C1 | C2 | 120.8° | 120.3° |
| C6 | C1 | H1 | 119.6° | 119.8° |
| C6 | C5 | N7 | 126.3° | 124.8° |
| C6 | C5 | C4 | 120.9° | 118.8° |
| C8 | N7 | C5 | 114.4° | 119.8° |
| C8 | N7 | C12 | 131.0° | 124.3° |
| N7 | C8 | H4 | 109.0° | 109.7° |
| N7 | C8 | H5 | 109.0° | 109.7° |
| C1 | C2 | C3 | 120.5° | 120.0° |
| C2 | C1 | H1 | 119.6° | 119.8° |
| C1 | C2 | H2 | 119.8° | 120.0° |
| C5 | N7 | C12 | 111.9° | 115.9° |
| N7 | C5 | C4 | 112.8° | 116.4° |
| N7 | C12 | N35 | 135.7° | 126.6° |
| N7 | C12 | S11 | 113.1° | 106.7° |
| C5 | C4 | C3 | 119.9° | 120.8° |
| C5 | C4 | S11 | 112.7° | 106.0° |
| C13 | N35 | C12 | 127.8° | 120.0° |
| N35 | C13 | H10 | 107.5° | 109.5° |
| N35 | C13 | H11 | 107.6° | 109.5° |
| C2 | C3 | C4 | 119.5° | 119.8° |
| C3 | C2 | H2 | 119.7° | 120.0° |
| C2 | C3 | H3 | 120.3° | 120.1° |
| N35 | C12 | S11 | 111.1° | 126.6° |
| C12 | S11 | C4 | 89.4° | 95.0° |
| C3 | C4 | S11 | 127.3° | 133.2° |
| C4 | C3 | H3 | 120.2° | 120.1° |
| H4 | C8 | H5 | 109.5° | 109.7° |
| H6 | C9 | H7 | 109.5° | 109.1° |
| H8 | C10 | H9 | 109.5° | 109.5° |
| H10 | C13 | H11 | 109.5° | 109.5° |
| H16 | C31 | H17 | 109.5° | 109.7° |
| H18 | C32 | H19 | 109.5° | 109.7° |
| H21 | C17 | H22 | 109.5° | 109.5° |
| H21 | C17 | H23 | 109.4° | 109.5° |
| H22 | C17 | H23 | 109.5° | 109.5° |
| H24 | C25 | H25 | 109.5° | 109.5° |
| H26 | C26 | H27 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C28 | C27 | C22 | H14 | 180.0° | 179.8° |
| C27 | C28 | C23 | H28 | 180.0° | 179.8° |
| C28 | C27 | C22 | C19 | 2.4° | 0.1° |
| C27 | C28 | C23 | C29 | 179.5° | 180.0° |
| C27 | C28 | C23 | C20 | 0.9° | 0.5° |
| C28 | C27 | C22 | H12 | 177.6° | 180.0° |
| C22 | C27 | C28 | C23 | 0.4° | 0.2° |
| C27 | C22 | C19 | H12 | 180.0° | 179.9° |
| C27 | C22 | C19 | C20 | 2.9° | 0.1° |
| C27 | C22 | C19 | N21 | 176.8° | 179.7° |
| C22 | C27 | C28 | H28 | 179.6° | 180.0° |
| C28 | C23 | C29 | C20 | 178.6° | 179.6° |
| C28 | C23 | C29 | N33 | 177.5° | 179.5° |
| C28 | C23 | C20 | C19 | 0.4° | 0.4° |
| C28 | C23 | C20 | C24 | 178.0° | 179.5° |
| C23 | C28 | C27 | H14 | 179.6° | 180.0° |
| C28 | C23 | C29 | H29 | 2.5° | 0.5° |
| C22 | C19 | C20 | C23 | 1.5° | 0.2° |
| C22 | C19 | C20 | N21 | 179.7° | 179.8° |
| C22 | C19 | C20 | C24 | 179.7° | 179.8° |
| C22 | C19 | N21 | C25 | 31.0° | 64.0° |
| C22 | C19 | N21 | C26 | 104.5° | 60.2° |
| C19 | C22 | C27 | H14 | 177.6° | 179.7° |
| C23 | C29 | N33 | H29 | 180.0° | 180.0° |
| C29 | C23 | C20 | C19 | 179.0° | 180.0° |
| C29 | C23 | C20 | C24 | 0.7° | 0.1° |
| C23 | C29 | N33 | C30 | 0.5° | 0.1° |
| C29 | C23 | C28 | H28 | 0.5° | 0.2° |
| C20 | C23 | C29 | N33 | 1.1° | 0.0° |
| C23 | C20 | C19 | C24 | 178.2° | 179.9° |
| C23 | C20 | C19 | N21 | 178.2° | 180.0° |
| C23 | C20 | C24 | C30 | 0.2° | 0.1° |
| C23 | C20 | C24 | H13 | 179.8° | 180.0° |
| C20 | C23 | C28 | H28 | 179.1° | 179.7° |
| C20 | C23 | C29 | H29 | 178.9° | 180.0° |
| C29 | N33 | C30 | C24 | 0.5° | 0.1° |
| C29 | N33 | C30 | H15 | 179.5° | 180.0° |
| C20 | C19 | N21 | C25 | 148.7° | 115.8° |
| C20 | C19 | N21 | C26 | 75.8° | 120.0° |
| C19 | C20 | C24 | C30 | 178.0° | 180.0° |
| C20 | C19 | C22 | H12 | 177.1° | 180.0° |
| C19 | C20 | C24 | H13 | 2.0° | 0.1° |
| N21 | C19 | C20 | C24 | 0.0° | 0.0° |
| C19 | N21 | C25 | C26 | 137.2° | 124.1° |
| C19 | N21 | C25 | C31 | 166.4° | 172.8° |
| C19 | N21 | C26 | C32 | 165.5° | 172.8° |
| N21 | C19 | C22 | H12 | 3.3° | 0.2° |
| C19 | N21 | C25 | H24 | 73.4° | 52.8° |
| C19 | N21 | C25 | H25 | 46.2° | 67.2° |
| C19 | N21 | C26 | H26 | 45.5° | 67.2° |
| C19 | N21 | C26 | H27 | 74.5° | 52.9° |
| C20 | C24 | C30 | N33 | 0.8° | 0.0° |
| C20 | C24 | C30 | H13 | 180.0° | 179.9° |
| C20 | C24 | C30 | H15 | 179.2° | 180.0° |
| N33 | C30 | C24 | H15 | 180.0° | 180.0° |
| N33 | C30 | C24 | H13 | 179.2° | 179.9° |
| C30 | N33 | C29 | H29 | 179.5° | 179.9° |
| N21 | C25 | C31 | H24 | 120.2° | 119.9° |
| N21 | C25 | C31 | H25 | 120.1° | 120.0° |
| C25 | N21 | C26 | C32 | 57.1° | 63.2° |
| N21 | C25 | C31 | N34 | 55.8° | 53.9° |
| N21 | C25 | C31 | H16 | 175.9° | 173.5° |
| N21 | C25 | C31 | H17 | 64.2° | 65.9° |
| N21 | C25 | H24 | H25 | 119.5° | 120.1° |
| C25 | N21 | C26 | H26 | 177.1° | 56.8° |
| C25 | N21 | C26 | H27 | 63.0° | 176.9° |
| C31 | C25 | N21 | C26 | 56.4° | 63.2° |
| C25 | C31 | N34 | H16 | 120.1° | 119.7° |
| C25 | C31 | N34 | H17 | 120.0° | 119.9° |
| C25 | C31 | N34 | C32 | 57.9° | 51.2° |
| C25 | C31 | N34 | C15 | 119.5° | 128.8° |
| C25 | C31 | H16 | H17 | 119.8° | 120.6° |
| C31 | C25 | H24 | H25 | 119.5° | 120.1° |
| N21 | C26 | C32 | H26 | 120.0° | 120.0° |
| N21 | C26 | C32 | H27 | 120.0° | 119.9° |
| N21 | C26 | C32 | N34 | 57.7° | 53.9° |
| N21 | C26 | C32 | H18 | 62.4° | 65.8° |
| N21 | C26 | C32 | H19 | 177.8° | 173.7° |
| C26 | N21 | C25 | H24 | 63.8° | 176.9° |
| C26 | N21 | C25 | H25 | 176.6° | 56.8° |
| N21 | C26 | H26 | H27 | 120.0° | 120.1° |
| O16 | C14 | C15 | N34 | 57.2° | 47.1° |
| O16 | C14 | C15 | C17 | 118.8° | 120.0° |
| O16 | C14 | C15 | C13 | 120.4° | 120.0° |
| O16 | C14 | C17 | C13 | 116.7° | 120.0° |
| O16 | C14 | C15 | O18 | 126.6° | 133.0° |
| O16 | C14 | C13 | N35 | 75.4° | 60.0° |
| O16 | C14 | C13 | H10 | 45.7° | 60.0° |
| O16 | C14 | C13 | H11 | 163.5° | 180.0° |
| O16 | C14 | C17 | H21 | 180.0° | 60.0° |
| O16 | C14 | C17 | H22 | 60.0° | 60.0° |
| O16 | C14 | C17 | H23 | 60.0° | 180.0° |
| C26 | C32 | N34 | C31 | 59.2° | 51.2° |
| C26 | C32 | N34 | H18 | 120.1° | 119.7° |
| C26 | C32 | N34 | H19 | 120.1° | 119.8° |
| C26 | C32 | N34 | C15 | 118.5° | 128.8° |
| C26 | C32 | H18 | H19 | 119.7° | 120.5° |
| C32 | C26 | H26 | H27 | 119.9° | 120.1° |
| C10 | C9 | C8 | H6 | 120.6° | 120.5° |
| C10 | C9 | C8 | H7 | 120.6° | 120.4° |
| C9 | C10 | C6 | H8 | 120.3° | 119.9° |
| C9 | C10 | C6 | H9 | 120.3° | 120.1° |
| C9 | C10 | C6 | C1 | 166.7° | 151.1° |
| C9 | C10 | C6 | C5 | 17.9° | 29.3° |
| C10 | C9 | C8 | N7 | 56.9° | 57.8° |
| C10 | C9 | C8 | H4 | 63.4° | 177.5° |
| C10 | C9 | C8 | H5 | 177.2° | 62.0° |
| C10 | C9 | H6 | H7 | 118.1° | 119.3° |
| C9 | C10 | H8 | H9 | 119.0° | 120.1° |
| C8 | C9 | C10 | C6 | 43.8° | 58.8° |
| C9 | C8 | N7 | H4 | 120.3° | 119.7° |
| C9 | C8 | N7 | H5 | 120.3° | 119.8° |
| C9 | C8 | N7 | C5 | 41.8° | 28.4° |
| C9 | C8 | N7 | C12 | 158.9° | 151.6° |
| C9 | C8 | H4 | H5 | 119.1° | 120.5° |
| C8 | C9 | H6 | H7 | 118.2° | 119.1° |
| C8 | C9 | C10 | H8 | 164.1° | 61.0° |
| C8 | C9 | C10 | H9 | 76.5° | 178.9° |
| C31 | N34 | C32 | C15 | 177.7° | 179.9° |
| C31 | N34 | C15 | C14 | 5.4° | 4.1° |
| C31 | N34 | C15 | O18 | 178.5° | 175.9° |
| N34 | C31 | H16 | H17 | 119.8° | 120.4° |
| C31 | N34 | C32 | H18 | 60.9° | 68.5° |
| C31 | N34 | C32 | H19 | 179.3° | 171.1° |
| N34 | C31 | C25 | H24 | 64.3° | 173.8° |
| N34 | C31 | C25 | H25 | 176.0° | 66.1° |
| C10 | C6 | C1 | C5 | 175.4° | 179.6° |
| C10 | C6 | C1 | C2 | 177.9° | 180.0° |
| C10 | C6 | C5 | N7 | 4.9° | 0.4° |
| C10 | C6 | C5 | C4 | 176.4° | 179.9° |
| C10 | C6 | C1 | H1 | 2.1° | 0.3° |
| C6 | C10 | C9 | H6 | 164.4° | 179.3° |
| C6 | C10 | C9 | H7 | 76.8° | 61.5° |
| C6 | C10 | H8 | H9 | 119.1° | 120.0° |
| C32 | N34 | C15 | C14 | 177.4° | 175.9° |
| C32 | N34 | C15 | O18 | 1.4° | 4.0° |
| C32 | N34 | C31 | H16 | 178.0° | 170.9° |
| C32 | N34 | C31 | H17 | 62.1° | 68.6° |
| N34 | C32 | H18 | H19 | 119.7° | 120.4° |
| N34 | C32 | C26 | H26 | 177.7° | 66.1° |
| N34 | C32 | C26 | H27 | 62.3° | 173.8° |
| N34 | C15 | C14 | O18 | 176.2° | 180.0° |
| N34 | C15 | C14 | C17 | 176.0° | 72.9° |
| N34 | C15 | C14 | C13 | 63.2° | 167.1° |
| C15 | N34 | C31 | H16 | 0.6° | 9.2° |
| C15 | N34 | C31 | H17 | 120.5° | 111.3° |
| C15 | N34 | C32 | H18 | 121.4° | 111.5° |
| C15 | N34 | C32 | H19 | 1.6° | 9.0° |
| C15 | C14 | C17 | C13 | 119.2° | 120.0° |
| C15 | C14 | C13 | N35 | 160.7° | 180.0° |
| C15 | C14 | C13 | H10 | 78.2° | 60.0° |
| C15 | C14 | C13 | H11 | 39.6° | 60.0° |
| C15 | C14 | O16 | H20 | 180.0° | 60.0° |
| C15 | C14 | C17 | H21 | 56.0° | 60.0° |
| C15 | C14 | C17 | H22 | 64.1° | 180.0° |
| C15 | C14 | C17 | H23 | 175.9° | 60.0° |
| C17 | C14 | C15 | O18 | 7.8° | 107.0° |
| C17 | C14 | C13 | N35 | 39.4° | 60.0° |
| C17 | C14 | C13 | H10 | 160.5° | 180.0° |
| C17 | C14 | C13 | H11 | 81.7° | 60.0° |
| C17 | C14 | O16 | H20 | 57.9° | 180.0° |
| C14 | C17 | H21 | H22 | 120.0° | 120.0° |
| C14 | C17 | H21 | H23 | 120.0° | 120.0° |
| C14 | C17 | H22 | H23 | 120.0° | 120.0° |
| C13 | C14 | C15 | O18 | 113.0° | 12.9° |
| C14 | C13 | N35 | H10 | 121.1° | 120.0° |
| C14 | C13 | N35 | H11 | 121.1° | 120.0° |
| C14 | C13 | N35 | C12 | 117.4° | 176.9° |
| C14 | C13 | H10 | H11 | 116.5° | 120.0° |
| C13 | C14 | O16 | H20 | 60.1° | 60.0° |
| C13 | C14 | C17 | H21 | 63.2° | 180.0° |
| C13 | C14 | C17 | H22 | 176.7° | 60.0° |
| C13 | C14 | C17 | H23 | 56.7° | 60.0° |
| C6 | C1 | C2 | H1 | 180.0° | 179.7° |
| C1 | C6 | C5 | N7 | 179.5° | 180.0° |
| C1 | C6 | C5 | C4 | 0.8° | 0.4° |
| C6 | C1 | C2 | C3 | 2.5° | 0.3° |
| C6 | C1 | C2 | H2 | 177.5° | 179.7° |
| C1 | C6 | C10 | H8 | 46.4° | 89.0° |
| C1 | C6 | C10 | H9 | 73.0° | 31.0° |
| C6 | C5 | N7 | C8 | 17.1° | 0.0° |
| C5 | C6 | C1 | C2 | 2.5° | 0.4° |
| C6 | C5 | N7 | C4 | 178.8° | 179.7° |
| C6 | C5 | N7 | C12 | 179.6° | 180.0° |
| C6 | C5 | C4 | C3 | 0.9° | 0.1° |
| C6 | C5 | C4 | S11 | 176.7° | 179.9° |
| C5 | C6 | C1 | H1 | 177.5° | 179.9° |
| C5 | C6 | C10 | H8 | 138.2° | 90.6° |
| C5 | C6 | C10 | H9 | 102.4° | 149.4° |
| C8 | N7 | C5 | C12 | 163.3° | 180.0° |
| C8 | N7 | C5 | C4 | 164.1° | 179.7° |
| C8 | N7 | C12 | N35 | 21.6° | 0.2° |
| C8 | N7 | C12 | S11 | 163.2° | 179.8° |
| N7 | C8 | H4 | H5 | 119.1° | 120.6° |
| N7 | C8 | C9 | H6 | 177.5° | 178.2° |
| N7 | C8 | C9 | H7 | 63.7° | 62.6° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.7° | 0.0° |
| C1 | C2 | C3 | H3 | 179.3° | 179.9° |
| C5 | N7 | C12 | N35 | 178.7° | 179.8° |
| C5 | N7 | C12 | S11 | 3.4° | 0.2° |
| N7 | C5 | C4 | C3 | 178.0° | 179.8° |
| N7 | C5 | C4 | S11 | 2.2° | 0.2° |
| C5 | N7 | C8 | H4 | 78.5° | 148.1° |
| C5 | N7 | C8 | H5 | 162.1° | 91.4° |
| C12 | N7 | C5 | C4 | 0.8° | 0.3° |
| N7 | C12 | N35 | C13 | 6.5° | 5.1° |
| N7 | C12 | N35 | S11 | 175.4° | 180.0° |
| N7 | C12 | S11 | C4 | 3.9° | 0.1° |
| C12 | N7 | C8 | H4 | 80.8° | 32.0° |
| C12 | N7 | C8 | H5 | 38.6° | 88.6° |
| C5 | C4 | C3 | C2 | 1.0° | 0.0° |
| C5 | C4 | S11 | C12 | 3.4° | 0.1° |
| C5 | C4 | C3 | S11 | 175.1° | 179.9° |
| C5 | C4 | C3 | H3 | 179.0° | 180.0° |
| C13 | N35 | C12 | S11 | 178.2° | 174.9° |
| N35 | C13 | H10 | H11 | 116.6° | 120.1° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C2 | C3 | C4 | S11 | 176.1° | 179.9° |
| C3 | C2 | C1 | H1 | 177.5° | 179.9° |
| N35 | C12 | S11 | C4 | 179.6° | 179.9° |
| C12 | N35 | C13 | H10 | 3.7° | 56.9° |
| C12 | N35 | C13 | H11 | 121.5° | 63.1° |
| C12 | S11 | C4 | C3 | 178.8° | 180.0° |
| C4 | C3 | C2 | H2 | 179.3° | 179.9° |
| S11 | C4 | C3 | H3 | 3.9° | 0.0° |
| H1 | C1 | C2 | H2 | 2.5° | 0.1° |
| H2 | C2 | C3 | H3 | 0.7° | 0.1° |
| H4 | C8 | C9 | H6 | 57.2° | 62.1° |
| H4 | C8 | C9 | H7 | 176.0° | 57.1° |
| H5 | C8 | C9 | H6 | 62.2° | 58.4° |
| H5 | C8 | C9 | H7 | 56.6° | 177.6° |
| H6 | C9 | C10 | H8 | 75.3° | 59.5° |
| H6 | C9 | C10 | H9 | 44.1° | 60.6° |
| H7 | C9 | C10 | H8 | 43.5° | 178.7° |
| H7 | C9 | C10 | H9 | 162.9° | 58.6° |
| H12 | C22 | C27 | H14 | 2.4° | 0.2° |
| H13 | C24 | C30 | H15 | 0.8° | 0.0° |
| H14 | C27 | C28 | H28 | 0.4° | 0.2° |
| H16 | C31 | C25 | H24 | 55.7° | 66.5° |
| H16 | C31 | C25 | H25 | 64.0° | 53.5° |
| H17 | C31 | C25 | H24 | 175.6° | 54.0° |
| H17 | C31 | C25 | H25 | 55.9° | 174.1° |
| H18 | C32 | C26 | H26 | 57.6° | 174.2° |
| H18 | C32 | C26 | H27 | 177.6° | 54.1° |
| H19 | C32 | C26 | H26 | 62.2° | 53.7° |
| H19 | C32 | C26 | H27 | 57.8° | 66.4° |
| H21 | C17 | H22 | H23 | 120.0° | 120.0° |
