A1AG7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C2 | doub | 1.22Å | 1.31Å | |
| CL | C | sing | 1.74Å | 1.73Å | |
| C2 | O | sing | 1.35Å | 1.23Å | |
| C2 | C1 | sing | 1.47Å | 1.49Å | |
| C | C1 | doub | 1.40Å | 1.40Å | Aromatic |
| C | C32 | sing | 1.36Å | 1.38Å | Aromatic |
| C1 | C3 | sing | 1.40Å | 1.40Å | Aromatic |
| C32 | C31 | doub | 1.40Å | 1.39Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C31 | C4 | sing | 1.41Å | 1.39Å | Aromatic |
| C31 | N4 | sing | 1.35Å | 1.39Å | Aromatic |
| C4 | N | sing | 1.38Å | 1.40Å | Aromatic |
| N4 | C14 | doub | 1.31Å | 1.32Å | Aromatic |
| O2 | C6 | doub | 1.21Å | 1.23Å | |
| N | C14 | sing | 1.37Å | 1.36Å | Aromatic |
| N | C5 | sing | 1.47Å | 1.48Å | |
| C8 | C13 | sing | 1.53Å | 1.53Å | |
| C8 | C5 | sing | 1.53Å | 1.53Å | |
| C8 | C9 | sing | 1.53Å | 1.54Å | |
| C14 | C15 | sing | 1.48Å | 1.46Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C12 | C11 | sing | 1.53Å | 1.54Å | |
| C21 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.51Å | 1.53Å | |
| C6 | N1 | sing | 1.35Å | 1.33Å | |
| C22 | C17 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.53Å | 1.52Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C20 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C16 | sing | 1.46Å | 1.42Å | Aromatic |
| C15 | C30 | doub | 1.37Å | 1.38Å | Aromatic |
| N1 | C7 | sing | 1.46Å | 1.45Å | |
| C17 | C16 | sing | 1.48Å | 1.48Å | |
| C17 | C18 | doub | 1.39Å | 1.40Å | Aromatic |
| C16 | N2 | doub | 1.31Å | 1.33Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C30 | N3 | sing | 1.35Å | 1.34Å | Aromatic |
| N2 | N3 | sing | 1.40Å | 1.35Å | Aromatic |
| N3 | C23 | sing | 1.46Å | 1.47Å | |
| C25 | C26 | doub | 1.38Å | 1.38Å | Aromatic |
| C25 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.38Å | Aromatic |
| C23 | C24 | sing | 1.51Å | 1.51Å | |
| C24 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
| C27 | C28 | doub | 1.38Å | 1.38Å | Aromatic |
| C29 | C28 | sing | 1.38Å | 1.38Å | Aromatic |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| O | H6 | sing | 0.97Å | 0.95Å | |
| C3 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| C32 | H19 | sing | 1.08Å | 1.08Å | |
| C18 | H20 | sing | 1.08Å | 1.08Å | |
| C19 | H21 | sing | 1.08Å | 1.08Å | |
| C20 | H22 | sing | 1.08Å | 1.08Å | |
| C21 | H23 | sing | 1.08Å | 1.08Å | |
| C22 | H24 | sing | 1.08Å | 1.08Å | |
| C30 | H25 | sing | 1.08Å | 1.08Å | |
| C23 | H26 | sing | 1.09Å | 1.10Å | |
| C23 | H27 | sing | 1.09Å | 1.10Å | |
| C25 | H28 | sing | 1.08Å | 1.08Å | |
| C26 | H29 | sing | 1.08Å | 1.08Å | |
| C27 | H30 | sing | 1.08Å | 1.08Å | |
| C28 | H31 | sing | 1.08Å | 1.08Å | |
| C29 | H32 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C2 | O | 123.2° | 119.9° |
| O1 | C2 | C1 | 115.5° | 120.0° |
| CL | C | C1 | 121.3° | 119.8° |
| CL | C | C32 | 116.8° | 119.7° |
| O | C2 | C1 | 121.3° | 120.0° |
| C2 | O | H6 | 109.5° | 117.0° |
| C2 | C1 | C | 125.4° | 119.9° |
| C2 | C1 | C3 | 115.1° | 119.9° |
| C1 | C | C32 | 121.9° | 120.5° |
| C | C1 | C3 | 119.5° | 120.1° |
| C | C32 | C31 | 118.6° | 120.1° |
| C | C32 | H19 | 120.7° | 120.0° |
| C1 | C3 | C4 | 118.0° | 119.6° |
| C1 | C3 | H7 | 121.0° | 120.2° |
| C32 | C31 | C4 | 119.6° | 119.7° |
| C32 | C31 | N4 | 129.8° | 133.1° |
| C31 | C32 | H19 | 120.7° | 120.0° |
| C3 | C4 | C31 | 122.3° | 120.0° |
| C3 | C4 | N | 132.7° | 133.8° |
| C4 | C3 | H7 | 121.0° | 120.2° |
| C4 | C31 | N4 | 110.6° | 107.2° |
| C31 | C4 | N | 104.9° | 106.2° |
| C31 | N4 | C14 | 104.7° | 109.8° |
| C4 | N | C14 | 106.5° | 107.0° |
| C4 | N | C5 | 126.9° | 126.5° |
| N4 | C14 | N | 113.3° | 109.8° |
| N4 | C14 | C15 | 122.2° | 125.1° |
| O2 | C6 | C5 | 121.6° | 120.0° |
| O2 | C6 | N1 | 123.5° | 120.0° |
| C14 | N | C5 | 126.6° | 126.5° |
| N | C14 | C15 | 124.2° | 125.1° |
| N | C5 | C8 | 111.9° | 109.5° |
| N | C5 | C6 | 110.1° | 109.4° |
| N | C5 | H5 | 106.9° | 109.5° |
| C13 | C8 | C5 | 109.9° | 109.5° |
| C13 | C8 | C9 | 111.5° | 109.5° |
| C8 | C13 | C12 | 113.4° | 109.5° |
| C13 | C8 | H8 | 107.5° | 109.4° |
| C8 | C13 | H17 | 108.5° | 109.5° |
| C8 | C13 | H18 | 108.5° | 109.4° |
| C5 | C8 | C9 | 112.6° | 109.5° |
| C8 | C5 | C6 | 114.8° | 109.5° |
| C8 | C5 | H5 | 106.4° | 109.5° |
| C5 | C8 | H8 | 107.6° | 109.5° |
| C8 | C9 | C10 | 113.6° | 109.4° |
| C9 | C8 | H8 | 107.4° | 109.5° |
| C8 | C9 | H9 | 108.5° | 109.5° |
| C8 | C9 | H10 | 108.4° | 109.5° |
| C14 | C15 | C16 | 133.0° | 126.7° |
| C14 | C15 | C30 | 122.2° | 126.7° |
| C13 | C12 | C11 | 113.2° | 109.5° |
| C13 | C12 | H15 | 108.5° | 109.4° |
| C13 | C12 | H16 | 108.5° | 109.5° |
| C12 | C13 | H17 | 108.5° | 109.5° |
| C12 | C13 | H18 | 108.5° | 109.5° |
| C12 | C11 | C10 | 111.9° | 109.5° |
| C12 | C11 | H13 | 108.9° | 109.5° |
| C12 | C11 | H14 | 108.9° | 109.5° |
| C11 | C12 | H15 | 108.5° | 109.5° |
| C11 | C12 | H16 | 108.5° | 109.5° |
| C22 | C21 | C20 | 120.2° | 120.1° |
| C21 | C22 | C17 | 120.6° | 119.9° |
| C22 | C21 | H23 | 119.9° | 120.0° |
| C21 | C22 | H24 | 119.7° | 120.1° |
| C21 | C20 | C19 | 119.9° | 120.2° |
| C21 | C20 | H22 | 120.1° | 119.9° |
| C20 | C21 | H23 | 119.9° | 119.9° |
| C5 | C6 | N1 | 114.9° | 120.0° |
| C6 | C5 | H5 | 106.3° | 109.5° |
| C6 | N1 | C7 | 122.2° | 120.0° |
| C6 | N1 | H1 | 118.9° | 120.0° |
| C22 | C17 | C16 | 120.7° | 120.1° |
| C22 | C17 | C18 | 118.8° | 119.7° |
| C17 | C22 | H24 | 119.7° | 120.1° |
| C11 | C10 | C9 | 111.5° | 109.5° |
| C11 | C10 | H11 | 108.9° | 109.5° |
| C11 | C10 | H12 | 109.0° | 109.5° |
| C10 | C11 | H13 | 108.9° | 109.5° |
| C10 | C11 | H14 | 108.8° | 109.4° |
| C10 | C9 | H9 | 108.4° | 109.4° |
| C10 | C9 | H10 | 108.5° | 109.5° |
| C9 | C10 | H11 | 109.0° | 109.4° |
| C9 | C10 | H12 | 109.0° | 109.4° |
| C20 | C19 | C18 | 120.2° | 120.1° |
| C20 | C19 | H21 | 119.9° | 120.0° |
| C19 | C20 | H22 | 120.1° | 119.8° |
| C16 | C15 | C30 | 104.7° | 106.6° |
| C15 | C16 | C17 | 129.9° | 126.5° |
| C15 | C16 | N2 | 111.0° | 107.0° |
| C15 | C30 | N3 | 106.6° | 108.1° |
| C15 | C30 | H25 | 126.7° | 126.0° |
| C7 | N1 | H1 | 118.9° | 120.0° |
| N1 | C7 | H2 | 109.5° | 109.4° |
| N1 | C7 | H3 | 109.5° | 109.5° |
| N1 | C7 | H4 | 109.5° | 109.5° |
| C16 | C17 | C18 | 120.5° | 120.1° |
| C17 | C16 | N2 | 119.0° | 126.5° |
| C17 | C18 | C19 | 120.4° | 119.9° |
| C17 | C18 | H20 | 119.8° | 120.1° |
| C16 | N2 | N3 | 104.6° | 108.8° |
| C19 | C18 | H20 | 119.8° | 120.0° |
| C18 | C19 | H21 | 119.9° | 119.9° |
| C30 | N3 | N2 | 113.1° | 109.5° |
| C30 | N3 | C23 | 128.1° | 125.2° |
| N3 | C30 | H25 | 126.7° | 126.0° |
| N2 | N3 | C23 | 118.6° | 125.3° |
| N3 | C23 | C24 | 112.4° | 109.5° |
| N3 | C23 | H26 | 108.7° | 109.4° |
| N3 | C23 | H27 | 108.8° | 109.5° |
| C26 | C25 | C24 | 120.7° | 120.0° |
| C25 | C26 | C27 | 120.1° | 120.0° |
| C26 | C25 | H28 | 119.7° | 120.0° |
| C25 | C26 | H29 | 119.9° | 120.0° |
| C25 | C24 | C23 | 121.1° | 120.0° |
| C25 | C24 | C29 | 118.5° | 120.0° |
| C24 | C25 | H28 | 119.6° | 120.0° |
| C26 | C27 | C28 | 119.7° | 120.0° |
| C27 | C26 | H29 | 119.9° | 120.0° |
| C26 | C27 | H30 | 120.1° | 120.0° |
| C23 | C24 | C29 | 120.4° | 120.0° |
| C24 | C23 | H26 | 108.7° | 109.5° |
| C24 | C23 | H27 | 108.7° | 109.5° |
| C24 | C29 | C28 | 120.7° | 120.0° |
| C24 | C29 | H32 | 119.6° | 120.0° |
| C27 | C28 | C29 | 120.3° | 120.0° |
| C28 | C27 | H30 | 120.2° | 120.0° |
| C27 | C28 | H31 | 119.9° | 120.0° |
| C29 | C28 | H31 | 119.9° | 120.0° |
| C28 | C29 | H32 | 119.6° | 120.0° |
| H2 | C7 | H3 | 109.5° | 109.5° |
| H2 | C7 | H4 | 109.4° | 109.5° |
| H3 | C7 | H4 | 109.5° | 109.5° |
| H9 | C9 | H10 | 109.5° | 109.5° |
| H11 | C10 | H12 | 109.5° | 109.4° |
| H13 | C11 | H14 | 109.5° | 109.4° |
| H15 | C12 | H16 | 109.5° | 109.5° |
| H17 | C13 | H18 | 109.5° | 109.5° |
| H26 | C23 | H27 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C2 | O | C1 | 177.4° | 180.0° |
| O1 | C2 | C1 | C | 34.0° | 0.0° |
| O1 | C2 | C1 | C3 | 147.4° | 180.0° |
| O1 | C2 | O | H6 | 0.0° | 0.0° |
| CL | C | C1 | C2 | 2.2° | 0.0° |
| CL | C | C1 | C32 | 177.4° | 179.7° |
| CL | C | C1 | C3 | 176.3° | 180.0° |
| CL | C | C32 | C31 | 176.5° | 179.9° |
| CL | C | C32 | H19 | 3.5° | 0.2° |
| O | C2 | C1 | C | 148.4° | 180.0° |
| O | C2 | C1 | C3 | 30.2° | 0.0° |
| C2 | C1 | C | C3 | 178.5° | 180.0° |
| C2 | C1 | C | C32 | 179.6° | 179.7° |
| C2 | C1 | C3 | C4 | 178.4° | 180.0° |
| C1 | C2 | O | H6 | 177.4° | 180.0° |
| C2 | C1 | C3 | H7 | 1.6° | 0.0° |
| C1 | C | C32 | C31 | 1.0° | 0.4° |
| C | C1 | C3 | C4 | 0.2° | 0.0° |
| C | C1 | C3 | H7 | 179.8° | 180.0° |
| C1 | C | C32 | H19 | 179.0° | 180.0° |
| C32 | C | C1 | C3 | 1.1° | 0.3° |
| C | C32 | C31 | H19 | 180.0° | 179.7° |
| C | C32 | C31 | C4 | 0.5° | 0.0° |
| C | C32 | C31 | N4 | 179.9° | 179.9° |
| C1 | C3 | C4 | H7 | 180.0° | 180.0° |
| C1 | C3 | C4 | C31 | 1.8° | 0.3° |
| C1 | C3 | C4 | N | 179.4° | 179.9° |
| C32 | C31 | C4 | C3 | 2.0° | 0.3° |
| C32 | C31 | C4 | N4 | 179.6° | 180.0° |
| C32 | C31 | C4 | N | 179.0° | 180.0° |
| C32 | C31 | N4 | C14 | 178.4° | 179.7° |
| C3 | C4 | C31 | N | 179.1° | 179.7° |
| C3 | C4 | C31 | N4 | 178.4° | 179.7° |
| C3 | C4 | N | C14 | 179.0° | 179.9° |
| C3 | C4 | N | C5 | 0.2° | 0.1° |
| C4 | C31 | N4 | C14 | 1.1° | 0.2° |
| C31 | C4 | N | C14 | 0.0° | 0.3° |
| C31 | C4 | N | C5 | 179.1° | 179.7° |
| C31 | C4 | C3 | H7 | 178.2° | 179.7° |
| C4 | C31 | C32 | H19 | 179.4° | 179.7° |
| N4 | C31 | C4 | N | 0.7° | 0.0° |
| C31 | N4 | C14 | N | 1.2° | 0.4° |
| C31 | N4 | C14 | C15 | 172.7° | 180.0° |
| N4 | C31 | C32 | H19 | 0.1° | 0.2° |
| C4 | N | C14 | N4 | 0.8° | 0.4° |
| C4 | N | C14 | C5 | 179.2° | 180.0° |
| C4 | N | C5 | C8 | 50.7° | 115.2° |
| C4 | N | C14 | C15 | 172.9° | 179.9° |
| C4 | N | C5 | C6 | 78.2° | 124.8° |
| C4 | N | C5 | H5 | 166.7° | 4.9° |
| N | C4 | C3 | H7 | 0.6° | 0.1° |
| N4 | C14 | N | C15 | 173.7° | 179.6° |
| N4 | C14 | N | C5 | 178.4° | 179.6° |
| N4 | C14 | C15 | C16 | 75.0° | 78.4° |
| N4 | C14 | C15 | C30 | 108.8° | 101.7° |
| O2 | C6 | C5 | N | 65.2° | 109.1° |
| O2 | C6 | C5 | C8 | 62.1° | 10.9° |
| O2 | C6 | C5 | N1 | 178.9° | 179.9° |
| O2 | C6 | N1 | C7 | 5.1° | 0.0° |
| O2 | C6 | N1 | H1 | 175.0° | 179.9° |
| O2 | C6 | C5 | H5 | 179.3° | 130.9° |
| C14 | N | C5 | C8 | 130.3° | 64.8° |
| C14 | N | C5 | C6 | 100.8° | 55.2° |
| N | C14 | C15 | C16 | 98.2° | 102.0° |
| N | C14 | C15 | C30 | 78.1° | 77.9° |
| C14 | N | C5 | H5 | 14.3° | 175.2° |
| N | C5 | C8 | C13 | 69.7° | 57.2° |
| N | C5 | C8 | C6 | 126.4° | 119.9° |
| N | C5 | C8 | H5 | 116.3° | 120.0° |
| N | C5 | C8 | C9 | 165.3° | 177.2° |
| C5 | N | C14 | C15 | 7.9° | 0.0° |
| N | C5 | C6 | H5 | 115.4° | 120.0° |
| N | C5 | C6 | N1 | 113.6° | 71.0° |
| N | C5 | C8 | H8 | 47.1° | 62.7° |
| C13 | C8 | C5 | C9 | 125.0° | 120.0° |
| C13 | C8 | C5 | H8 | 116.8° | 119.9° |
| C13 | C8 | C9 | H8 | 117.6° | 120.0° |
| C8 | C13 | C12 | H17 | 120.6° | 120.0° |
| C8 | C13 | C12 | H18 | 120.6° | 119.9° |
| C8 | C13 | C12 | C11 | 47.2° | 60.0° |
| C13 | C8 | C5 | C6 | 163.9° | 177.2° |
| C13 | C8 | C9 | C10 | 1.4° | 60.0° |
| C13 | C8 | C5 | H5 | 46.7° | 62.8° |
| C13 | C8 | C9 | H9 | 119.2° | 60.0° |
| C13 | C8 | C9 | H10 | 122.1° | 179.9° |
| C8 | C13 | C12 | H15 | 73.3° | 180.0° |
| C8 | C13 | C12 | H16 | 167.7° | 60.1° |
| C8 | C13 | H17 | H18 | 118.2° | 119.9° |
| C5 | C8 | C9 | H8 | 118.3° | 120.0° |
| C5 | C8 | C13 | C12 | 176.6° | 180.0° |
| C8 | C5 | C6 | H5 | 117.3° | 120.0° |
| C8 | C5 | C6 | N1 | 119.0° | 169.0° |
| C5 | C8 | C9 | C10 | 125.5° | 180.0° |
| C5 | C8 | C9 | H9 | 4.9° | 60.0° |
| C5 | C8 | C9 | H10 | 113.8° | 60.1° |
| C5 | C8 | C13 | H17 | 62.8° | 59.9° |
| C5 | C8 | C13 | H18 | 56.0° | 60.0° |
| C9 | C8 | C13 | C12 | 51.0° | 60.0° |
| C9 | C8 | C5 | C6 | 38.9° | 62.8° |
| C8 | C9 | C10 | C11 | 51.7° | 60.0° |
| C8 | C9 | C10 | H9 | 120.6° | 120.0° |
| C8 | C9 | C10 | H10 | 120.6° | 120.0° |
| C9 | C8 | C5 | H5 | 78.3° | 57.2° |
| C8 | C9 | H9 | H10 | 118.1° | 120.1° |
| C8 | C9 | C10 | H11 | 172.0° | 180.0° |
| C8 | C9 | C10 | H12 | 68.7° | 60.0° |
| C9 | C8 | C13 | H17 | 171.6° | 179.9° |
| C9 | C8 | C13 | H18 | 69.6° | 60.0° |
| C14 | C15 | C16 | C30 | 176.7° | 179.9° |
| C14 | C15 | C16 | C17 | 9.5° | 0.0° |
| C14 | C15 | C16 | N2 | 175.4° | 180.0° |
| C14 | C15 | C30 | N3 | 177.2° | 179.8° |
| C14 | C15 | C30 | H25 | 2.8° | 0.1° |
| C13 | C12 | C11 | H15 | 120.5° | 119.9° |
| C13 | C12 | C11 | H16 | 120.5° | 120.0° |
| C13 | C12 | C11 | C10 | 6.3° | 60.0° |
| C12 | C13 | C8 | H8 | 66.5° | 60.0° |
| C13 | C12 | C11 | H13 | 114.1° | 60.0° |
| C13 | C12 | C11 | H14 | 126.6° | 180.0° |
| C13 | C12 | H15 | H16 | 118.3° | 120.0° |
| C12 | C13 | H17 | H18 | 118.2° | 120.1° |
| C12 | C11 | C10 | H13 | 120.4° | 120.1° |
| C12 | C11 | C10 | H14 | 120.4° | 120.0° |
| C12 | C11 | C10 | C9 | 55.6° | 60.0° |
| C12 | C11 | C10 | H11 | 175.9° | 180.0° |
| C12 | C11 | C10 | H12 | 64.7° | 60.0° |
| C12 | C11 | H13 | H14 | 118.9° | 120.0° |
| C11 | C12 | H15 | H16 | 118.3° | 120.1° |
| C11 | C12 | C13 | H17 | 167.8° | 180.0° |
| C11 | C12 | C13 | H18 | 73.4° | 60.0° |
| C22 | C21 | C20 | H23 | 180.0° | 179.4° |
| C21 | C22 | C17 | H24 | 180.0° | 179.4° |
| C22 | C21 | C20 | C19 | 0.4° | 0.4° |
| C21 | C22 | C17 | C16 | 177.3° | 179.7° |
| C21 | C22 | C17 | C18 | 0.4° | 0.6° |
| C22 | C21 | C20 | H22 | 179.6° | 179.7° |
| C20 | C21 | C22 | C17 | 0.0° | 0.6° |
| C21 | C20 | C19 | H22 | 180.0° | 179.9° |
| C21 | C20 | C19 | C18 | 0.2° | 0.0° |
| C21 | C20 | C19 | H21 | 179.7° | 179.9° |
| C20 | C21 | C22 | H24 | 179.9° | 180.0° |
| C5 | C6 | N1 | C7 | 176.1° | 180.0° |
| C5 | C6 | N1 | H1 | 3.9° | 0.0° |
| C6 | C5 | C8 | H8 | 79.3° | 57.2° |
| C6 | N1 | C7 | H1 | 180.0° | 180.0° |
| C6 | N1 | C7 | H2 | 180.0° | 60.0° |
| C6 | N1 | C7 | H3 | 60.0° | 180.0° |
| C6 | N1 | C7 | H4 | 60.0° | 60.0° |
| N1 | C6 | C5 | H5 | 1.8° | 49.0° |
| C22 | C17 | C16 | C15 | 6.7° | 35.4° |
| C22 | C17 | C16 | C18 | 177.7° | 179.7° |
| C22 | C17 | C16 | N2 | 178.4° | 144.6° |
| C22 | C17 | C18 | C19 | 0.5° | 0.3° |
| C22 | C17 | C18 | H20 | 179.5° | 179.7° |
| C17 | C22 | C21 | H23 | 180.0° | 180.0° |
| C11 | C10 | C9 | H11 | 120.3° | 120.0° |
| C11 | C10 | C9 | H12 | 120.3° | 120.0° |
| C11 | C10 | C9 | H9 | 172.3° | 60.0° |
| C11 | C10 | C9 | H10 | 68.9° | 180.0° |
| C11 | C10 | H11 | H12 | 119.1° | 120.1° |
| C10 | C11 | H13 | H14 | 118.9° | 119.9° |
| C10 | C11 | C12 | H15 | 126.8° | 180.0° |
| C10 | C11 | C12 | H16 | 114.2° | 60.0° |
| C10 | C9 | C8 | H8 | 116.2° | 60.0° |
| C10 | C9 | H9 | H10 | 118.1° | 120.0° |
| C9 | C10 | H11 | H12 | 119.1° | 119.9° |
| C9 | C10 | C11 | H13 | 64.8° | 60.0° |
| C9 | C10 | C11 | H14 | 175.9° | 180.0° |
| C20 | C19 | C18 | C17 | 0.2° | 0.0° |
| C20 | C19 | C18 | H21 | 180.0° | 180.0° |
| C20 | C19 | C18 | H20 | 179.8° | 180.0° |
| C19 | C20 | C21 | H23 | 179.7° | 179.7° |
| C15 | C16 | C17 | N2 | 174.8° | 180.0° |
| C15 | C16 | C17 | C18 | 171.0° | 144.9° |
| C16 | C15 | C30 | N3 | 0.0° | 0.1° |
| C15 | C16 | N2 | N3 | 2.1° | 0.2° |
| C16 | C15 | C30 | H25 | 180.0° | 180.0° |
| C30 | C15 | C16 | C17 | 173.8° | 180.0° |
| C30 | C15 | C16 | N2 | 1.4° | 0.0° |
| C15 | C30 | N3 | H25 | 180.0° | 179.9° |
| C15 | C30 | N3 | N2 | 1.4° | 0.2° |
| C15 | C30 | N3 | C23 | 172.4° | 180.0° |
| N1 | C7 | H2 | H3 | 120.0° | 120.0° |
| N1 | C7 | H2 | H4 | 120.0° | 120.0° |
| N1 | C7 | H3 | H4 | 120.0° | 120.0° |
| C16 | C17 | C18 | C19 | 177.2° | 180.0° |
| C17 | C16 | N2 | N3 | 173.6° | 179.8° |
| C16 | C17 | C18 | H20 | 2.8° | 0.0° |
| C16 | C17 | C22 | H24 | 2.7° | 0.3° |
| C18 | C17 | C16 | N2 | 3.9° | 35.1° |
| C17 | C18 | C19 | H20 | 180.0° | 180.0° |
| C17 | C18 | C19 | H21 | 179.8° | 180.0° |
| C18 | C17 | C22 | H24 | 179.6° | 180.0° |
| C16 | N2 | N3 | C30 | 2.2° | 0.3° |
| C16 | N2 | N3 | C23 | 172.2° | 180.0° |
| C18 | C19 | C20 | H22 | 179.8° | 180.0° |
| C30 | N3 | N2 | C23 | 174.4° | 179.7° |
| C30 | N3 | C23 | C24 | 93.8° | 124.7° |
| C30 | N3 | C23 | H26 | 26.6° | 115.3° |
| C30 | N3 | C23 | H27 | 145.8° | 4.7° |
| N2 | N3 | C23 | C24 | 79.6° | 55.0° |
| N2 | N3 | C30 | H25 | 178.6° | 179.8° |
| N2 | N3 | C23 | H26 | 159.9° | 65.0° |
| N2 | N3 | C23 | H27 | 40.8° | 175.0° |
| N3 | C23 | C24 | C25 | 21.6° | 89.7° |
| N3 | C23 | C24 | H26 | 120.4° | 120.0° |
| N3 | C23 | C24 | H27 | 120.4° | 120.0° |
| N3 | C23 | C24 | C29 | 160.5° | 90.0° |
| C23 | N3 | C30 | H25 | 7.6° | 0.1° |
| N3 | C23 | H26 | H27 | 118.7° | 120.0° |
| C26 | C25 | C24 | H28 | 180.0° | 180.0° |
| C25 | C26 | C27 | H29 | 180.0° | 179.9° |
| C26 | C25 | C24 | C23 | 177.4° | 180.0° |
| C26 | C25 | C24 | C29 | 0.5° | 0.2° |
| C25 | C26 | C27 | C28 | 0.7° | 0.0° |
| C25 | C26 | C27 | H30 | 179.3° | 180.0° |
| C24 | C25 | C26 | C27 | 0.3° | 0.0° |
| C25 | C24 | C23 | C29 | 177.9° | 179.7° |
| C25 | C24 | C29 | C28 | 0.9° | 0.4° |
| C25 | C24 | C23 | H26 | 98.8° | 150.3° |
| C25 | C24 | C23 | H27 | 142.0° | 30.3° |
| C24 | C25 | C26 | H29 | 179.7° | 179.9° |
| C25 | C24 | C29 | H32 | 179.1° | 179.7° |
| C26 | C27 | C28 | H30 | 180.0° | 180.0° |
| C26 | C27 | C28 | C29 | 0.4° | 0.2° |
| C27 | C26 | C25 | H28 | 179.8° | 180.0° |
| C26 | C27 | C28 | H31 | 179.6° | 180.0° |
| C23 | C24 | C29 | C28 | 177.1° | 179.8° |
| C24 | C23 | H26 | H27 | 118.7° | 120.0° |
| C23 | C24 | C25 | H28 | 2.6° | 0.0° |
| C23 | C24 | C29 | H32 | 2.9° | 0.1° |
| C24 | C29 | C28 | C27 | 0.4° | 0.4° |
| C24 | C29 | C28 | H32 | 180.0° | 179.9° |
| C29 | C24 | C23 | H26 | 79.1° | 30.0° |
| C29 | C24 | C23 | H27 | 40.1° | 150.0° |
| C29 | C24 | C25 | H28 | 179.4° | 179.7° |
| C24 | C29 | C28 | H31 | 179.6° | 179.7° |
| C27 | C28 | C29 | H31 | 180.0° | 179.9° |
| C28 | C27 | C26 | H29 | 179.3° | 180.0° |
| C27 | C28 | C29 | H32 | 179.6° | 179.7° |
| C29 | C28 | C27 | H30 | 179.7° | 179.8° |
| H1 | N1 | C7 | H2 | 0.0° | 120.0° |
| H1 | N1 | C7 | H3 | 120.0° | 0.1° |
| H1 | N1 | C7 | H4 | 119.9° | 120.0° |
| H2 | C7 | H3 | H4 | 120.0° | 120.0° |
| H5 | C5 | C8 | H8 | 163.5° | 177.2° |
| H8 | C8 | C9 | H9 | 123.2° | 180.0° |
| H8 | C8 | C9 | H10 | 4.4° | 60.0° |
| H8 | C8 | C13 | H17 | 54.0° | 60.0° |
| H8 | C8 | C13 | H18 | 172.9° | 179.9° |
| H9 | C9 | C10 | H11 | 67.4° | 60.1° |
| H9 | C9 | C10 | H12 | 52.0° | 180.0° |
| H10 | C9 | C10 | H11 | 51.4° | 60.0° |
| H10 | C9 | C10 | H12 | 170.8° | 59.9° |
| H11 | C10 | C11 | H13 | 55.5° | 60.0° |
| H11 | C10 | C11 | H14 | 63.7° | 60.0° |
| H12 | C10 | C11 | H13 | 174.9° | 180.0° |
| H12 | C10 | C11 | H14 | 55.6° | 60.0° |
| H13 | C11 | C12 | H15 | 6.5° | 59.9° |
| H13 | C11 | C12 | H16 | 125.4° | 180.0° |
| H14 | C11 | C12 | H15 | 112.8° | 60.1° |
| H14 | C11 | C12 | H16 | 6.1° | 60.0° |
| H15 | C12 | C13 | H17 | 47.2° | 60.0° |
| H15 | C12 | C13 | H18 | 166.1° | 60.0° |
| H16 | C12 | C13 | H17 | 71.7° | 60.0° |
| H16 | C12 | C13 | H18 | 47.1° | 180.0° |
| H20 | C18 | C19 | H21 | 0.2° | 0.1° |
| H21 | C19 | C20 | H22 | 0.2° | 0.0° |
| H22 | C20 | C21 | H23 | 0.3° | 0.3° |
| H23 | C21 | C22 | H24 | 0.0° | 0.6° |
| H28 | C25 | C26 | H29 | 0.2° | 0.1° |
| H29 | C26 | C27 | H30 | 0.7° | 0.0° |
| H30 | C27 | C28 | H31 | 0.4° | 0.0° |
| H31 | C28 | C29 | H32 | 0.4° | 0.1° |
