003
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | O11 | doub | 1.24Å | 1.23Å | |
| C2 | N3 | sing | 1.42Å | 1.39Å | Aromatic |
| C2 | N1 | sing | 1.44Å | 1.39Å | Aromatic |
| N3 | C7 | sing | 1.46Å | 1.48Å | |
| N3 | C4 | sing | 1.40Å | 1.37Å | Aromatic |
| C7 | C8 | sing | 1.53Å | 1.56Å | |
| C7 | H7C1 | sing | 1.09Å | 1.12Å | |
| C7 | H7C2 | sing | 1.10Å | 1.11Å | |
| C8 | C10 | sing | 1.53Å | 1.54Å | |
| C8 | C9 | sing | 1.53Å | 1.54Å | |
| C8 | H8 | sing | 1.10Å | 1.11Å | |
| C10 | H101 | sing | 1.09Å | 1.12Å | |
| C10 | H102 | sing | 1.10Å | 1.11Å | |
| C10 | H103 | sing | 1.09Å | 1.12Å | |
| C9 | H9C1 | sing | 1.10Å | 1.12Å | |
| C9 | H9C2 | sing | 1.10Å | 1.11Å | |
| C9 | H9C3 | sing | 1.09Å | 1.11Å | |
| C4 | N16 | doub | 1.34Å | 1.26Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.46Å | Aromatic |
| N16 | N15 | sing | 1.35Å | 1.35Å | Aromatic |
| N15 | C23 | sing | 1.45Å | 1.48Å | |
| N15 | C14 | sing | 1.36Å | 1.34Å | Aromatic |
| C23 | C24 | sing | 1.50Å | 1.56Å | |
| C23 | H231 | sing | 1.10Å | 1.12Å | |
| C23 | H232 | sing | 1.10Å | 1.11Å | |
| C24 | C29 | sing | 1.40Å | 1.45Å | Aromatic |
| C24 | C25 | doub | 1.39Å | 1.43Å | Aromatic |
| C29 | C30 | sing | 1.40Å | 1.44Å | Aromatic |
| C29 | C28 | doub | 1.42Å | 1.45Å | Aromatic |
| C30 | C31 | doub | 1.39Å | 1.42Å | Aromatic |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C31 | C32 | sing | 1.39Å | 1.42Å | Aromatic |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C32 | C33 | doub | 1.40Å | 1.42Å | Aromatic |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C33 | C28 | sing | 1.40Å | 1.42Å | Aromatic |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C28 | C27 | sing | 1.40Å | 1.42Å | Aromatic |
| C27 | C26 | doub | 1.40Å | 1.42Å | Aromatic |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C26 | C25 | sing | 1.39Å | 1.42Å | Aromatic |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C14 | C17 | sing | 1.44Å | 1.54Å | Aromatic |
| C14 | C5 | doub | 1.37Å | 1.34Å | Aromatic |
| C17 | C22 | sing | 1.39Å | 1.43Å | Aromatic |
| C17 | C18 | doub | 1.39Å | 1.42Å | Aromatic |
| C22 | C21 | doub | 1.39Å | 1.42Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.10Å | |
| C21 | N20 | sing | 1.35Å | 1.37Å | Aromatic |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| N20 | C19 | doub | 1.35Å | 1.37Å | Aromatic |
| C19 | C18 | sing | 1.39Å | 1.41Å | Aromatic |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C5 | C6 | sing | 1.43Å | 1.48Å | Aromatic |
| C6 | O13 | doub | 1.23Å | 1.22Å | |
| C6 | N1 | sing | 1.42Å | 1.38Å | Aromatic |
| N1 | C12 | sing | 1.46Å | 1.47Å | |
| C12 | H121 | sing | 1.09Å | 1.11Å | |
| C12 | H122 | sing | 1.09Å | 1.12Å | |
| C12 | H123 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O11 | C2 | N3 | 119.5° | 122.2° |
| O11 | C2 | N1 | 120.8° | 121.7° |
| N3 | C2 | N1 | 119.6° | 116.1° |
| C2 | N3 | C7 | 120.9° | 120.2° |
| C2 | N3 | C4 | 119.5° | 119.7° |
| C2 | N1 | C6 | 124.5° | 127.3° |
| C2 | N1 | C12 | 118.4° | 115.5° |
| C7 | N3 | C4 | 119.6° | 120.0° |
| N3 | C7 | C8 | 115.5° | 111.8° |
| N3 | C7 | H7C1 | 110.1° | 108.5° |
| N3 | C7 | H7C2 | 110.0° | 108.1° |
| N3 | C4 | N16 | 128.4° | 126.9° |
| N3 | C4 | C5 | 123.3° | 121.2° |
| C8 | C7 | H7C1 | 110.0° | 110.7° |
| C8 | C7 | H7C2 | 110.0° | 110.0° |
| C7 | C8 | C10 | 109.9° | 112.3° |
| C7 | C8 | C9 | 111.3° | 112.1° |
| C7 | C8 | H8 | 107.5° | 106.9° |
| H7C1 | C7 | H7C2 | 100.2° | 107.6° |
| C10 | C8 | C9 | 108.1° | 110.6° |
| C10 | C8 | H8 | 110.8° | 107.2° |
| C8 | C10 | H101 | 112.1° | 111.9° |
| C8 | C10 | H102 | 112.1° | 110.4° |
| C8 | C10 | H103 | 109.8° | 110.8° |
| C9 | C8 | H8 | 109.3° | 107.4° |
| C8 | C9 | H9C1 | 111.5° | 111.7° |
| C8 | C9 | H9C2 | 111.5° | 110.6° |
| C8 | C9 | H9C3 | 111.4° | 110.8° |
| H101 | C10 | H102 | 98.3° | 107.6° |
| H101 | C10 | H103 | 112.1° | 108.3° |
| H102 | C10 | H103 | 112.1° | 107.7° |
| H9C1 | C9 | H9C2 | 98.8° | 107.7° |
| H9C1 | C9 | H9C3 | 111.5° | 108.1° |
| H9C2 | C9 | H9C3 | 111.5° | 107.7° |
| N16 | C4 | C5 | 108.3° | 111.8° |
| C4 | N16 | N15 | 108.9° | 103.4° |
| C4 | C5 | C14 | 105.0° | 105.7° |
| C4 | C5 | C6 | 115.5° | 123.9° |
| N16 | N15 | C23 | 123.0° | 118.8° |
| N16 | N15 | C14 | 110.3° | 113.9° |
| C23 | N15 | C14 | 126.8° | 127.2° |
| N15 | C23 | C24 | 106.1° | 111.4° |
| N15 | C23 | H231 | 113.5° | 108.2° |
| N15 | C23 | H232 | 113.5° | 108.2° |
| N15 | C14 | C17 | 125.9° | 123.4° |
| N15 | C14 | C5 | 107.5° | 105.2° |
| C24 | C23 | H231 | 113.5° | 111.2° |
| C24 | C23 | H232 | 113.5° | 111.2° |
| C23 | C24 | C29 | 121.5° | 121.8° |
| C23 | C24 | C25 | 119.2° | 117.0° |
| H231 | C23 | H232 | 97.0° | 106.5° |
| C29 | C24 | C25 | 119.3° | 121.2° |
| C24 | C29 | C30 | 122.3° | 121.7° |
| C24 | C29 | C28 | 119.2° | 119.0° |
| C24 | C25 | C26 | 120.6° | 119.8° |
| C24 | C25 | H25 | 120.1° | 120.9° |
| C30 | C29 | C28 | 118.5° | 119.3° |
| C29 | C30 | C31 | 120.9° | 120.7° |
| C29 | C30 | H30 | 120.2° | 121.5° |
| C29 | C28 | C33 | 120.2° | 119.3° |
| C29 | C28 | C27 | 120.2° | 119.3° |
| C31 | C30 | H30 | 118.9° | 117.9° |
| C30 | C31 | C32 | 119.8° | 120.1° |
| C30 | C31 | H31 | 120.0° | 120.0° |
| C32 | C31 | H31 | 120.2° | 120.0° |
| C31 | C32 | C33 | 120.4° | 120.0° |
| C31 | C32 | H32 | 119.8° | 120.0° |
| C33 | C32 | H32 | 119.8° | 119.9° |
| C32 | C33 | C28 | 120.2° | 120.7° |
| C32 | C33 | H33 | 119.9° | 118.8° |
| C28 | C33 | H33 | 119.8° | 120.5° |
| C33 | C28 | C27 | 119.5° | 121.4° |
| C28 | C27 | C26 | 120.2° | 120.7° |
| C28 | C27 | H27 | 119.8° | 120.6° |
| C26 | C27 | H27 | 120.0° | 118.8° |
| C27 | C26 | C25 | 120.4° | 120.0° |
| C27 | C26 | H26 | 119.9° | 120.0° |
| C25 | C26 | H26 | 119.7° | 120.0° |
| C26 | C25 | H25 | 119.3° | 119.3° |
| C17 | C14 | C5 | 126.6° | 131.4° |
| C14 | C17 | C22 | 119.8° | 120.1° |
| C14 | C17 | C18 | 121.3° | 120.1° |
| C14 | C5 | C6 | 139.5° | 130.5° |
| C22 | C17 | C18 | 118.9° | 119.9° |
| C17 | C22 | C21 | 119.5° | 117.8° |
| C17 | C22 | H22 | 120.6° | 121.9° |
| C17 | C18 | C19 | 119.4° | 117.8° |
| C17 | C18 | H18 | 120.6° | 121.9° |
| C21 | C22 | H22 | 119.9° | 120.3° |
| C22 | C21 | N20 | 119.9° | 124.1° |
| C22 | C21 | H21 | 121.6° | 120.8° |
| N20 | C21 | H21 | 118.5° | 115.1° |
| C21 | N20 | C19 | 121.9° | 116.3° |
| N20 | C19 | C18 | 120.4° | 124.1° |
| N20 | C19 | H19 | 118.3° | 115.2° |
| C18 | C19 | H19 | 121.3° | 120.7° |
| C19 | C18 | H18 | 120.0° | 120.3° |
| C5 | C6 | O13 | 119.2° | 122.5° |
| C5 | C6 | N1 | 117.7° | 111.7° |
| O13 | C6 | N1 | 123.1° | 125.8° |
| C6 | N1 | C12 | 117.1° | 117.2° |
| N1 | C12 | H121 | 109.0° | 110.1° |
| N1 | C12 | H122 | 109.0° | 110.2° |
| N1 | C12 | H123 | 118.4° | 110.2° |
| H121 | C12 | H122 | 101.1° | 108.8° |
| H121 | C12 | H123 | 109.0° | 108.8° |
| H122 | C12 | H123 | 109.0° | 108.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O11 | C2 | N3 | N1 | 179.0° | 180.0° |
| O11 | C2 | N3 | C7 | 0.6° | 0.0° |
| O11 | C2 | N3 | C4 | 179.8° | 180.0° |
| O11 | C2 | N1 | C6 | 180.0° | 180.0° |
| O11 | C2 | N1 | C12 | 1.0° | 0.0° |
| C2 | N3 | C7 | C4 | 179.1° | 180.0° |
| C2 | N3 | C7 | C8 | 99.0° | 90.0° |
| C2 | N3 | C7 | H7C1 | 26.3° | 147.7° |
| C2 | N3 | C7 | H7C2 | 135.7° | 31.3° |
| C2 | N3 | C4 | N16 | 179.1° | 180.0° |
| C2 | N3 | C4 | C5 | 1.2° | 0.0° |
| N3 | C2 | N1 | C6 | 1.0° | 0.0° |
| N3 | C2 | N1 | C12 | 180.0° | 180.0° |
| N1 | C2 | N3 | C7 | 179.7° | 180.0° |
| N1 | C2 | N3 | C4 | 1.2° | 0.0° |
| C2 | N1 | C6 | C5 | 0.7° | 0.0° |
| C2 | N1 | C6 | O13 | 179.7° | 179.9° |
| C2 | N1 | C6 | C12 | 179.0° | 180.0° |
| C2 | N1 | C12 | H121 | 54.7° | 76.7° |
| C2 | N1 | C12 | H122 | 54.7° | 43.4° |
| C2 | N1 | C12 | H123 | 180.0° | 163.3° |
| N3 | C7 | C8 | H7C1 | 125.3° | 121.0° |
| N3 | C7 | C8 | H7C2 | 125.3° | 120.2° |
| N3 | C7 | H7C1 | H7C2 | 115.9° | 116.8° |
| N3 | C7 | C8 | C10 | 79.9° | 59.0° |
| N3 | C7 | C8 | C9 | 160.4° | 175.8° |
| N3 | C7 | C8 | H8 | 40.7° | 58.3° |
| C7 | N3 | C4 | N16 | 0.1° | 0.0° |
| C7 | N3 | C4 | C5 | 179.7° | 180.0° |
| C4 | N3 | C7 | C8 | 80.1° | 90.0° |
| C4 | N3 | C7 | H7C1 | 154.6° | 32.3° |
| C4 | N3 | C7 | H7C2 | 45.1° | 148.7° |
| N3 | C4 | N16 | C5 | 179.8° | 180.0° |
| N3 | C4 | N16 | N15 | 179.8° | 180.0° |
| N3 | C4 | C5 | C14 | 179.6° | 180.0° |
| N3 | C4 | C5 | C6 | 0.8° | 0.0° |
| C8 | C7 | H7C1 | H7C2 | 115.8° | 120.3° |
| C7 | C8 | C10 | C9 | 121.7° | 126.0° |
| C7 | C8 | C10 | H8 | 118.7° | 117.2° |
| C7 | C8 | C9 | H8 | 118.6° | 117.1° |
| C7 | C8 | C10 | H101 | 54.7° | 67.0° |
| C7 | C8 | C10 | H102 | 54.7° | 173.2° |
| C7 | C8 | C10 | H103 | 180.0° | 54.0° |
| C7 | C8 | C9 | H9C1 | 54.7° | 65.8° |
| C7 | C8 | C9 | H9C2 | 54.7° | 174.3° |
| C7 | C8 | C9 | H9C3 | 180.0° | 54.9° |
| H7C1 | C7 | C8 | C10 | 45.4° | 180.0° |
| H7C1 | C7 | C8 | C9 | 74.3° | 54.7° |
| H7C1 | C7 | C8 | H8 | 166.0° | 62.7° |
| H7C2 | C7 | C8 | C10 | 154.8° | 61.2° |
| H7C2 | C7 | C8 | C9 | 35.1° | 64.1° |
| H7C2 | C7 | C8 | H8 | 84.5° | 178.5° |
| C10 | C8 | C9 | H8 | 120.6° | 116.7° |
| C8 | C10 | H101 | H102 | 118.0° | 121.5° |
| C8 | C10 | H101 | H103 | 124.0° | 122.4° |
| C8 | C10 | H102 | H103 | 124.0° | 121.1° |
| C10 | C8 | C9 | H9C1 | 66.0° | 60.4° |
| C10 | C8 | C9 | H9C2 | 175.5° | 59.6° |
| C10 | C8 | C9 | H9C3 | 59.2° | 179.0° |
| C9 | C8 | C10 | H101 | 176.4° | 59.0° |
| C9 | C8 | C10 | H102 | 66.9° | 60.8° |
| C9 | C8 | C10 | H103 | 58.4° | 180.0° |
| C8 | C9 | H9C1 | H9C2 | 117.4° | 121.6° |
| C8 | C9 | H9C1 | H9C3 | 125.2° | 122.2° |
| C8 | C9 | H9C2 | H9C3 | 125.2° | 121.3° |
| H8 | C8 | C10 | H101 | 63.9° | 175.9° |
| H8 | C8 | C10 | H102 | 173.4° | 56.0° |
| H8 | C8 | C10 | H103 | 61.3° | 63.2° |
| H8 | C8 | C9 | H9C1 | 173.3° | 177.1° |
| H8 | C8 | C9 | H9C2 | 63.9° | 57.1° |
| H8 | C8 | C9 | H9C3 | 61.4° | 62.3° |
| H101 | C10 | H102 | H103 | 118.0° | 116.5° |
| H9C1 | C9 | H9C2 | H9C3 | 117.4° | 116.4° |
| C4 | N16 | N15 | C23 | 178.0° | 180.0° |
| C4 | N16 | N15 | C14 | 0.9° | 0.0° |
| N16 | C4 | C5 | C14 | 0.2° | 0.0° |
| N16 | C4 | C5 | C6 | 179.4° | 180.0° |
| C5 | C4 | N16 | N15 | 0.4° | 0.0° |
| C4 | C5 | C14 | N15 | 0.8° | 0.0° |
| C4 | C5 | C14 | C17 | 179.7° | 179.9° |
| C4 | C5 | C14 | C6 | 179.4° | 180.0° |
| C4 | C5 | C6 | O13 | 179.8° | 179.9° |
| C4 | C5 | C6 | N1 | 0.5° | 0.0° |
| N16 | N15 | C23 | C14 | 178.8° | 179.9° |
| N16 | N15 | C23 | C24 | 112.6° | 45.1° |
| N16 | N15 | C23 | H231 | 12.7° | 167.6° |
| N16 | N15 | C23 | H232 | 122.2° | 77.5° |
| N16 | N15 | C14 | C17 | 179.9° | 179.9° |
| N16 | N15 | C14 | C5 | 1.1° | 0.0° |
| N15 | C23 | C24 | H231 | 125.3° | 120.8° |
| N15 | C23 | C24 | H232 | 125.3° | 120.8° |
| N15 | C23 | H231 | H232 | 119.4° | 116.1° |
| N15 | C23 | C24 | C29 | 59.3° | 90.0° |
| N15 | C23 | C24 | C25 | 119.3° | 90.0° |
| C23 | N15 | C14 | C17 | 1.1° | 0.1° |
| C23 | N15 | C14 | C5 | 177.8° | 180.0° |
| C14 | N15 | C23 | C24 | 66.2° | 135.0° |
| C14 | N15 | C23 | H231 | 168.5° | 12.5° |
| C14 | N15 | C23 | H232 | 59.1° | 102.5° |
| N15 | C14 | C17 | C5 | 178.8° | 179.9° |
| N15 | C14 | C17 | C22 | 68.0° | 89.9° |
| N15 | C14 | C17 | C18 | 111.1° | 90.1° |
| N15 | C14 | C5 | C6 | 178.7° | 180.0° |
| C24 | C23 | H231 | H232 | 119.4° | 121.3° |
| C23 | C24 | C29 | C25 | 178.7° | 180.0° |
| C23 | C24 | C29 | C30 | 1.4° | 0.0° |
| C23 | C24 | C29 | C28 | 178.2° | 180.0° |
| C23 | C24 | C25 | C26 | 178.4° | 180.0° |
| C23 | C24 | C25 | H25 | 1.6° | 0.0° |
| H231 | C23 | C24 | C29 | 65.9° | 149.2° |
| H231 | C23 | C24 | C25 | 115.4° | 30.8° |
| H232 | C23 | C24 | C29 | 175.4° | 30.8° |
| H232 | C23 | C24 | C25 | 6.0° | 149.2° |
| C24 | C29 | C30 | C28 | 179.6° | 180.0° |
| C24 | C29 | C30 | C31 | 179.7° | 180.0° |
| C24 | C29 | C30 | H30 | 0.3° | 0.0° |
| C24 | C29 | C28 | C33 | 179.6° | 180.0° |
| C24 | C29 | C28 | C27 | 0.3° | 0.0° |
| C29 | C24 | C25 | C26 | 0.3° | 0.0° |
| C29 | C24 | C25 | H25 | 179.7° | 180.0° |
| C25 | C24 | C29 | C30 | 180.0° | 180.0° |
| C25 | C24 | C29 | C28 | 0.4° | 0.0° |
| C24 | C25 | C26 | C27 | 0.0° | 0.0° |
| C24 | C25 | C26 | H25 | 180.0° | 180.0° |
| C24 | C25 | C26 | H26 | 180.0° | 180.0° |
| C29 | C30 | C31 | H30 | 180.0° | 179.9° |
| C29 | C30 | C31 | C32 | 0.2° | 0.1° |
| C29 | C30 | C31 | H31 | 179.8° | 179.9° |
| C30 | C29 | C28 | C33 | 0.1° | 0.0° |
| C30 | C29 | C28 | C27 | 179.9° | 179.9° |
| C28 | C29 | C30 | C31 | 0.1° | 0.1° |
| C28 | C29 | C30 | H30 | 179.9° | 180.0° |
| C29 | C28 | C33 | C32 | 0.1° | 0.0° |
| C29 | C28 | C33 | C27 | 179.8° | 180.0° |
| C29 | C28 | C33 | H33 | 179.9° | 179.9° |
| C29 | C28 | C27 | C26 | 0.0° | 0.0° |
| C29 | C28 | C27 | H27 | 179.9° | 180.0° |
| C30 | C31 | C32 | H31 | 180.0° | 180.0° |
| C30 | C31 | C32 | C33 | 0.2° | 0.0° |
| C30 | C31 | C32 | H32 | 179.8° | 180.0° |
| H30 | C30 | C31 | C32 | 179.8° | 180.0° |
| H30 | C30 | C31 | H31 | 0.2° | 0.0° |
| C31 | C32 | C33 | H32 | 180.0° | 180.0° |
| C31 | C32 | C33 | C28 | 0.0° | 0.0° |
| C31 | C32 | C33 | H33 | 180.0° | 179.9° |
| H31 | C31 | C32 | C33 | 179.8° | 180.0° |
| H31 | C31 | C32 | H32 | 0.2° | 0.0° |
| C32 | C33 | C28 | H33 | 180.0° | 179.9° |
| C32 | C33 | C28 | C27 | 179.9° | 180.0° |
| H32 | C32 | C33 | C28 | 179.9° | 179.9° |
| H32 | C32 | C33 | H33 | 0.1° | 0.0° |
| C33 | C28 | C27 | C26 | 179.9° | 180.0° |
| C33 | C28 | C27 | H27 | 0.1° | 0.1° |
| H33 | C33 | C28 | C27 | 0.1° | 0.1° |
| C28 | C27 | C26 | H27 | 180.0° | 179.9° |
| C28 | C27 | C26 | C25 | 0.2° | 0.1° |
| C28 | C27 | C26 | H26 | 179.8° | 180.0° |
| C27 | C26 | C25 | H26 | 180.0° | 180.0° |
| C27 | C26 | C25 | H25 | 180.0° | 180.0° |
| H27 | C27 | C26 | C25 | 179.8° | 180.0° |
| H27 | C27 | C26 | H26 | 0.2° | 0.0° |
| H26 | C26 | C25 | H25 | 0.0° | 0.0° |
| C14 | C17 | C22 | C18 | 179.2° | 180.0° |
| C14 | C17 | C22 | C21 | 179.2° | 180.0° |
| C14 | C17 | C22 | H22 | 0.8° | 0.1° |
| C14 | C17 | C18 | C19 | 179.1° | 180.0° |
| C14 | C17 | C18 | H18 | 0.9° | 0.1° |
| C17 | C14 | C5 | C6 | 0.3° | 0.1° |
| C5 | C14 | C17 | C22 | 113.2° | 90.0° |
| C5 | C14 | C17 | C18 | 67.7° | 90.0° |
| C14 | C5 | C6 | O13 | 0.4° | 0.1° |
| C14 | C5 | C6 | N1 | 179.9° | 180.0° |
| C17 | C22 | C21 | H22 | 180.0° | 179.9° |
| C17 | C22 | C21 | N20 | 0.1° | 0.0° |
| C17 | C22 | C21 | H21 | 179.9° | 179.9° |
| C22 | C17 | C18 | C19 | 0.0° | 0.0° |
| C22 | C17 | C18 | H18 | 179.9° | 179.9° |
| C18 | C17 | C22 | C21 | 0.0° | 0.0° |
| C18 | C17 | C22 | H22 | 180.0° | 179.9° |
| C17 | C18 | C19 | N20 | 0.0° | 0.0° |
| C17 | C18 | C19 | H18 | 180.0° | 179.9° |
| C17 | C18 | C19 | H19 | 179.9° | 180.0° |
| C22 | C21 | N20 | H21 | 180.0° | 179.9° |
| C22 | C21 | N20 | C19 | 0.2° | 0.1° |
| H22 | C22 | C21 | N20 | 179.9° | 179.9° |
| H22 | C22 | C21 | H21 | 0.1° | 0.0° |
| C21 | N20 | C19 | C18 | 0.1° | 0.0° |
| C21 | N20 | C19 | H19 | 179.8° | 179.9° |
| H21 | C21 | N20 | C19 | 179.8° | 180.0° |
| N20 | C19 | C18 | H19 | 180.0° | 179.9° |
| N20 | C19 | C18 | H18 | 180.0° | 179.9° |
| H19 | C19 | C18 | H18 | 0.0° | 0.1° |
| C5 | C6 | O13 | N1 | 179.7° | 179.9° |
| C5 | C6 | N1 | C12 | 179.7° | 180.0° |
| O13 | C6 | N1 | C12 | 0.7° | 0.1° |
| C6 | N1 | C12 | H121 | 126.2° | 103.3° |
| C6 | N1 | C12 | H122 | 124.3° | 136.6° |
| C6 | N1 | C12 | H123 | 1.0° | 16.7° |
| N1 | C12 | H121 | H122 | 114.7° | 120.9° |
| N1 | C12 | H121 | H123 | 130.6° | 120.9° |
| N1 | C12 | H122 | H123 | 130.6° | 120.8° |
| H121 | C12 | H122 | H123 | 114.7° | 118.3° |
