TN9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C29 | O28 | sing | 1.43Å | 1.40Å | |
| C29 | C30 | sing | 1.53Å | 1.53Å | |
| C27 | O28 | sing | 1.43Å | 1.41Å | |
| C27 | C26 | sing | 1.53Å | 1.55Å | |
| C30 | C31 | sing | 1.53Å | 1.57Å | |
| C26 | O25 | sing | 1.43Å | 1.45Å | |
| C31 | C32 | sing | 1.53Å | 1.53Å | |
| O25 | C24 | sing | 1.43Å | 1.42Å | |
| C32 | C33 | sing | 1.53Å | 1.55Å | |
| C34 | C33 | sing | 1.53Å | 1.48Å | |
| C24 | C23 | sing | 1.53Å | 1.50Å | |
| C23 | O22 | sing | 1.43Å | 1.42Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C20 | N18 | sing | 1.46Å | 1.47Å | |
| O22 | C21 | sing | 1.43Å | 1.38Å | |
| N18 | N17 | sing | 1.29Å | 1.32Å | Aromatic |
| N18 | C19 | sing | 1.35Å | 1.38Å | Aromatic |
| N17 | N16 | doub | 1.29Å | 1.31Å | Aromatic |
| C19 | C15 | doub | 1.35Å | 1.42Å | Aromatic |
| N16 | C15 | sing | 1.34Å | 1.39Å | Aromatic |
| C15 | C9 | sing | 1.51Å | 1.54Å | |
| C9 | N7 | sing | 1.47Å | 1.47Å | |
| N7 | C6 | sing | 1.47Å | 1.51Å | |
| N7 | C8 | sing | 1.47Å | 1.46Å | |
| C6 | C4 | sing | 1.51Å | 1.53Å | |
| N5 | C4 | doub | 1.31Å | 1.37Å | Aromatic |
| N5 | N1 | sing | 1.29Å | 1.31Å | Aromatic |
| C8 | C10 | sing | 1.51Å | 1.55Å | |
| C4 | C3 | sing | 1.40Å | 1.42Å | Aromatic |
| N1 | N2 | sing | 1.29Å | 1.31Å | Aromatic |
| C10 | C11 | doub | 1.35Å | 1.46Å | Aromatic |
| C10 | N14 | sing | 1.34Å | 1.37Å | Aromatic |
| C3 | N2 | doub | 1.31Å | 1.37Å | Aromatic |
| C11 | N12 | sing | 1.35Å | 1.36Å | Aromatic |
| N14 | N13 | doub | 1.29Å | 1.33Å | Aromatic |
| N12 | N13 | sing | 1.29Å | 1.33Å | Aromatic |
| C3 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| 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 | |
| C11 | H8 | sing | 1.08Å | 1.08Å | |
| C19 | H9 | sing | 1.08Å | 1.08Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| C20 | H11 | sing | 1.09Å | 1.10Å | |
| C21 | H12 | sing | 1.09Å | 1.10Å | |
| C21 | H13 | sing | 1.09Å | 1.10Å | |
| C23 | H14 | sing | 1.09Å | 1.10Å | |
| C23 | H15 | sing | 1.09Å | 1.10Å | |
| C24 | H16 | sing | 1.09Å | 1.10Å | |
| C24 | H17 | sing | 1.09Å | 1.10Å | |
| C26 | H18 | sing | 1.09Å | 1.10Å | |
| C26 | H19 | sing | 1.09Å | 1.10Å | |
| C27 | H20 | sing | 1.09Å | 1.10Å | |
| C27 | H21 | sing | 1.09Å | 1.10Å | |
| C29 | H22 | sing | 1.09Å | 1.10Å | |
| C29 | H23 | sing | 1.09Å | 1.10Å | |
| C30 | H24 | sing | 1.09Å | 1.10Å | |
| C30 | H25 | sing | 1.09Å | 1.10Å | |
| C31 | H26 | sing | 1.09Å | 1.10Å | |
| C31 | H27 | sing | 1.09Å | 1.10Å | |
| C32 | H28 | sing | 1.09Å | 1.10Å | |
| C32 | H29 | sing | 1.09Å | 1.10Å | |
| C33 | H30 | sing | 1.09Å | 1.10Å | |
| C33 | H31 | sing | 1.09Å | 1.10Å | |
| C34 | H32 | sing | 1.09Å | 1.10Å | |
| C34 | H33 | sing | 1.09Å | 1.10Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| N1 | H35 | sing | 0.97Å | 1.00Å | |
| N12 | H37 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O28 | C29 | C30 | 108.1° | 109.4° |
| C29 | O28 | C27 | 112.9° | 114.0° |
| O28 | C29 | H22 | 109.8° | 109.5° |
| O28 | C29 | H23 | 109.8° | 109.5° |
| C29 | C30 | C31 | 113.6° | 109.5° |
| C30 | C29 | H22 | 109.8° | 109.4° |
| C30 | C29 | H23 | 109.8° | 109.4° |
| C29 | C30 | H24 | 108.4° | 109.5° |
| C29 | C30 | H25 | 108.4° | 109.5° |
| O28 | C27 | C26 | 106.8° | 109.5° |
| O28 | C27 | H20 | 110.2° | 109.5° |
| O28 | C27 | H21 | 110.2° | 109.5° |
| C27 | C26 | O25 | 109.5° | 109.5° |
| C27 | C26 | H18 | 109.5° | 109.5° |
| C27 | C26 | H19 | 109.4° | 109.4° |
| C26 | C27 | H20 | 110.2° | 109.5° |
| C26 | C27 | H21 | 110.1° | 109.5° |
| C30 | C31 | C32 | 108.8° | 109.5° |
| C31 | C30 | H24 | 108.4° | 109.5° |
| C31 | C30 | H25 | 108.4° | 109.5° |
| C30 | C31 | H26 | 109.7° | 109.5° |
| C30 | C31 | H27 | 109.6° | 109.5° |
| C26 | O25 | C24 | 114.7° | 114.0° |
| O25 | C26 | H18 | 109.5° | 109.4° |
| O25 | C26 | H19 | 109.5° | 109.5° |
| C31 | C32 | C33 | 112.9° | 109.5° |
| C32 | C31 | H26 | 109.6° | 109.5° |
| C32 | C31 | H27 | 109.7° | 109.5° |
| C31 | C32 | H28 | 108.6° | 109.5° |
| C31 | C32 | H29 | 108.6° | 109.5° |
| O25 | C24 | C23 | 109.0° | 109.4° |
| O25 | C24 | H16 | 109.6° | 109.4° |
| O25 | C24 | H17 | 109.6° | 109.5° |
| C32 | C33 | C34 | 110.6° | 109.5° |
| C33 | C32 | H28 | 108.6° | 109.4° |
| C33 | C32 | H29 | 108.6° | 109.5° |
| C32 | C33 | H30 | 109.2° | 109.5° |
| C32 | C33 | H31 | 109.2° | 109.5° |
| C34 | C33 | H30 | 109.2° | 109.4° |
| C34 | C33 | H31 | 109.2° | 109.5° |
| C33 | C34 | H32 | 109.5° | 109.5° |
| C33 | C34 | H33 | 109.5° | 109.5° |
| C33 | C34 | H34 | 109.5° | 109.5° |
| C24 | C23 | O22 | 107.0° | 109.4° |
| C24 | C23 | H14 | 110.1° | 109.4° |
| C24 | C23 | H15 | 110.1° | 109.5° |
| C23 | C24 | H16 | 109.6° | 109.4° |
| C23 | C24 | H17 | 109.6° | 109.5° |
| C23 | O22 | C21 | 116.3° | 114.0° |
| O22 | C23 | H14 | 110.1° | 109.5° |
| O22 | C23 | H15 | 110.1° | 109.5° |
| C21 | C20 | N18 | 107.0° | 109.5° |
| C20 | C21 | O22 | 110.1° | 109.5° |
| C21 | C20 | H10 | 110.1° | 109.4° |
| C21 | C20 | H11 | 110.1° | 109.5° |
| C20 | C21 | H12 | 109.3° | 109.5° |
| C20 | C21 | H13 | 109.3° | 109.4° |
| C20 | N18 | N17 | 125.0° | 125.9° |
| C20 | N18 | C19 | 126.0° | 125.9° |
| N18 | C20 | H10 | 110.1° | 109.5° |
| N18 | C20 | H11 | 110.1° | 109.5° |
| O22 | C21 | H12 | 109.3° | 109.5° |
| O22 | C21 | H13 | 109.3° | 109.5° |
| N17 | N18 | C19 | 109.0° | 108.3° |
| N18 | N17 | N16 | 110.7° | 110.1° |
| N18 | C19 | C15 | 105.6° | 106.2° |
| N18 | C19 | H9 | 127.2° | 126.9° |
| N17 | N16 | C15 | 109.2° | 108.9° |
| C19 | C15 | N16 | 105.4° | 106.5° |
| C19 | C15 | C9 | 127.5° | 126.8° |
| C15 | C19 | H9 | 127.2° | 126.9° |
| N16 | C15 | C9 | 127.0° | 126.7° |
| C15 | C9 | N7 | 110.8° | 109.5° |
| C15 | C9 | H6 | 109.2° | 109.5° |
| C15 | C9 | H7 | 109.1° | 109.4° |
| C9 | N7 | C6 | 109.4° | 111.1° |
| C9 | N7 | C8 | 108.5° | 111.0° |
| N7 | C9 | H6 | 109.1° | 109.5° |
| N7 | C9 | H7 | 109.2° | 109.5° |
| C6 | N7 | C8 | 110.7° | 111.0° |
| N7 | C6 | C4 | 111.4° | 109.5° |
| N7 | C6 | H2 | 109.0° | 109.5° |
| N7 | C6 | H3 | 109.0° | 109.4° |
| N7 | C8 | C10 | 111.3° | 109.5° |
| N7 | C8 | H4 | 109.0° | 109.5° |
| N7 | C8 | H5 | 109.0° | 109.5° |
| C6 | C4 | N5 | 126.5° | 127.0° |
| C6 | C4 | C3 | 127.7° | 127.1° |
| C4 | C6 | H2 | 109.0° | 109.5° |
| C4 | C6 | H3 | 109.0° | 109.5° |
| C4 | N5 | N1 | 108.2° | 108.7° |
| N5 | C4 | C3 | 105.8° | 105.9° |
| N5 | N1 | N2 | 111.9° | 110.8° |
| N5 | N1 | H35 | 124.0° | 124.6° |
| C8 | C10 | C11 | 126.8° | 126.7° |
| C8 | C10 | N14 | 127.7° | 126.7° |
| C10 | C8 | H4 | 109.0° | 109.5° |
| C10 | C8 | H5 | 109.0° | 109.5° |
| C4 | C3 | N2 | 106.1° | 105.9° |
| C4 | C3 | H1 | 127.0° | 127.0° |
| N1 | N2 | C3 | 108.0° | 108.7° |
| N2 | N1 | H35 | 124.1° | 124.6° |
| C11 | C10 | N14 | 105.5° | 106.5° |
| C10 | C11 | N12 | 105.6° | 106.2° |
| C10 | C11 | H8 | 127.2° | 126.9° |
| C10 | N14 | N13 | 109.1° | 108.8° |
| N2 | C3 | H1 | 127.0° | 127.0° |
| C11 | N12 | N13 | 109.3° | 108.2° |
| N12 | C11 | H8 | 127.2° | 126.9° |
| C11 | N12 | H37 | 125.4° | 125.9° |
| N14 | N13 | N12 | 110.5° | 110.2° |
| N13 | N12 | H37 | 125.4° | 125.9° |
| H2 | C6 | H3 | 109.5° | 109.5° |
| H4 | C8 | H5 | 109.4° | 109.5° |
| H6 | C9 | H7 | 109.5° | 109.5° |
| H10 | C20 | H11 | 109.5° | 109.5° |
| H12 | C21 | H13 | 109.5° | 109.5° |
| H14 | C23 | H15 | 109.5° | 109.5° |
| H16 | C24 | H17 | 109.5° | 109.5° |
| H18 | C26 | H19 | 109.5° | 109.5° |
| H20 | C27 | H21 | 109.4° | 109.4° |
| H22 | C29 | H23 | 109.5° | 109.5° |
| H24 | C30 | H25 | 109.5° | 109.5° |
| H26 | C31 | H27 | 109.5° | 109.5° |
| H28 | C32 | H29 | 109.5° | 109.5° |
| H30 | C33 | H31 | 109.5° | 109.4° |
| H32 | C34 | H33 | 109.5° | 109.4° |
| H32 | C34 | H34 | 109.5° | 109.4° |
| H33 | C34 | H34 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O28 | C29 | C30 | H22 | 119.8° | 120.0° |
| O28 | C29 | C30 | H23 | 119.8° | 120.0° |
| C29 | O28 | C27 | C26 | 169.6° | 180.0° |
| O28 | C29 | C30 | C31 | 59.7° | 180.0° |
| C29 | O28 | C27 | H20 | 70.8° | 60.0° |
| C29 | O28 | C27 | H21 | 50.0° | 60.0° |
| O28 | C29 | H22 | H23 | 120.6° | 120.1° |
| O28 | C29 | C30 | H24 | 60.8° | 60.0° |
| O28 | C29 | C30 | H25 | 179.6° | 60.0° |
| C30 | C29 | O28 | C27 | 159.5° | 180.0° |
| C29 | C30 | C31 | H24 | 120.6° | 120.0° |
| C29 | C30 | C31 | H25 | 120.6° | 120.0° |
| C29 | C30 | C31 | C32 | 163.3° | 180.0° |
| C30 | C29 | H22 | H23 | 120.6° | 120.0° |
| C29 | C30 | H24 | H25 | 118.1° | 120.0° |
| C29 | C30 | C31 | H26 | 43.4° | 60.0° |
| C29 | C30 | C31 | H27 | 76.8° | 60.0° |
| O28 | C27 | C26 | H20 | 119.6° | 120.0° |
| O28 | C27 | C26 | H21 | 119.6° | 120.0° |
| O28 | C27 | C26 | O25 | 106.5° | 65.0° |
| O28 | C27 | C26 | H18 | 13.5° | 175.0° |
| O28 | C27 | C26 | H19 | 133.6° | 55.0° |
| O28 | C27 | H20 | H21 | 121.3° | 120.0° |
| C27 | O28 | C29 | H22 | 39.7° | 60.0° |
| C27 | O28 | C29 | H23 | 80.7° | 60.1° |
| C27 | C26 | O25 | H18 | 120.0° | 120.0° |
| C27 | C26 | O25 | H19 | 120.0° | 120.0° |
| C27 | C26 | O25 | C24 | 171.2° | 180.0° |
| C27 | C26 | H18 | H19 | 120.0° | 120.0° |
| C26 | C27 | H20 | H21 | 121.2° | 120.0° |
| C30 | C31 | C32 | H26 | 119.9° | 120.0° |
| C30 | C31 | C32 | H27 | 119.9° | 120.0° |
| C30 | C31 | C32 | C33 | 162.0° | 180.0° |
| C31 | C30 | C29 | H22 | 179.5° | 60.0° |
| C31 | C30 | C29 | H23 | 60.0° | 60.0° |
| C31 | C30 | H24 | H25 | 118.1° | 120.0° |
| C30 | C31 | H26 | H27 | 120.3° | 120.0° |
| C30 | C31 | C32 | H28 | 41.5° | 60.0° |
| C30 | C31 | C32 | H29 | 77.5° | 60.0° |
| C26 | O25 | C24 | C23 | 157.0° | 180.0° |
| C26 | O25 | C24 | H16 | 83.1° | 60.0° |
| C26 | O25 | C24 | H17 | 37.1° | 60.0° |
| O25 | C26 | H18 | H19 | 120.0° | 120.0° |
| O25 | C26 | C27 | H20 | 133.9° | 175.0° |
| O25 | C26 | C27 | H21 | 13.1° | 55.0° |
| C31 | C32 | C33 | H28 | 120.5° | 120.0° |
| C31 | C32 | C33 | H29 | 120.5° | 120.0° |
| C31 | C32 | C33 | C34 | 41.3° | 180.0° |
| C32 | C31 | C30 | H24 | 76.1° | 60.0° |
| C32 | C31 | C30 | H25 | 42.6° | 60.0° |
| C32 | C31 | H26 | H27 | 120.3° | 120.0° |
| C31 | C32 | H28 | H29 | 118.4° | 120.0° |
| C31 | C32 | C33 | H30 | 78.9° | 60.0° |
| C31 | C32 | C33 | H31 | 161.4° | 60.0° |
| O25 | C24 | C23 | H16 | 119.9° | 119.9° |
| O25 | C24 | C23 | H17 | 119.9° | 120.0° |
| O25 | C24 | C23 | O22 | 76.9° | 65.0° |
| O25 | C24 | C23 | H14 | 163.5° | 175.0° |
| O25 | C24 | C23 | H15 | 42.7° | 55.0° |
| O25 | C24 | H16 | H17 | 120.2° | 120.0° |
| C24 | O25 | C26 | H18 | 68.8° | 60.0° |
| C24 | O25 | C26 | H19 | 51.2° | 60.0° |
| C32 | C33 | C34 | H30 | 120.2° | 120.0° |
| C32 | C33 | C34 | H31 | 120.2° | 120.1° |
| C33 | C32 | C31 | H26 | 78.1° | 60.0° |
| C33 | C32 | C31 | H27 | 42.1° | 60.0° |
| C33 | C32 | H28 | H29 | 118.4° | 120.0° |
| C32 | C33 | H30 | H31 | 119.5° | 120.0° |
| C32 | C33 | C34 | H32 | 180.0° | 60.0° |
| C32 | C33 | C34 | H33 | 60.0° | 60.0° |
| C32 | C33 | C34 | H34 | 60.0° | 180.0° |
| C34 | C33 | C32 | H28 | 161.8° | 60.0° |
| C34 | C33 | C32 | H29 | 79.3° | 60.0° |
| C34 | C33 | H30 | H31 | 119.5° | 120.0° |
| C33 | C34 | H32 | H33 | 120.0° | 120.0° |
| C33 | C34 | H32 | H34 | 120.0° | 120.0° |
| C33 | C34 | H33 | H34 | 120.0° | 120.1° |
| C24 | C23 | O22 | H14 | 119.6° | 119.9° |
| C24 | C23 | O22 | H15 | 119.6° | 120.0° |
| C24 | C23 | O22 | C21 | 157.5° | 180.0° |
| C24 | C23 | H14 | H15 | 121.1° | 120.0° |
| C23 | C24 | H16 | H17 | 120.3° | 120.1° |
| C23 | O22 | C21 | C20 | 41.1° | 180.0° |
| C23 | O22 | C21 | H12 | 161.2° | 60.0° |
| C23 | O22 | C21 | H13 | 79.0° | 60.0° |
| O22 | C23 | H14 | H15 | 121.1° | 120.0° |
| O22 | C23 | C24 | H16 | 43.1° | 175.0° |
| O22 | C23 | C24 | H17 | 163.2° | 55.0° |
| C21 | C20 | N18 | H10 | 119.6° | 120.0° |
| C21 | C20 | N18 | H11 | 119.6° | 120.0° |
| C20 | C21 | O22 | H12 | 120.1° | 120.0° |
| C20 | C21 | O22 | H13 | 120.1° | 120.0° |
| C21 | C20 | N18 | N17 | 36.3° | 54.9° |
| C21 | C20 | N18 | C19 | 143.2° | 125.0° |
| C21 | C20 | H10 | H11 | 121.2° | 120.0° |
| C20 | C21 | H12 | H13 | 119.7° | 120.0° |
| N18 | C20 | C21 | O22 | 131.5° | 180.0° |
| C20 | N18 | N17 | C19 | 179.5° | 179.9° |
| C20 | N18 | N17 | N16 | 179.7° | 180.0° |
| C20 | N18 | C19 | C15 | 179.7° | 179.9° |
| C20 | N18 | C19 | H9 | 0.3° | 0.0° |
| N18 | C20 | H10 | H11 | 121.1° | 120.0° |
| N18 | C20 | C21 | H12 | 11.4° | 60.0° |
| N18 | C20 | C21 | H13 | 108.4° | 60.0° |
| O22 | C21 | C20 | H10 | 11.9° | 60.0° |
| O22 | C21 | C20 | H11 | 108.9° | 60.0° |
| O22 | C21 | H12 | H13 | 119.7° | 120.0° |
| C21 | O22 | C23 | H14 | 82.9° | 60.1° |
| C21 | O22 | C23 | H15 | 37.9° | 60.0° |
| N17 | N18 | C19 | C15 | 0.2° | 0.2° |
| N18 | N17 | N16 | C15 | 0.0° | 0.1° |
| N17 | N18 | C19 | H9 | 179.9° | 179.9° |
| N17 | N18 | C20 | H10 | 155.9° | 174.9° |
| N17 | N18 | C20 | H11 | 83.3° | 65.1° |
| C19 | N18 | N17 | N16 | 0.1° | 0.1° |
| N18 | C19 | C15 | H9 | 180.0° | 179.9° |
| N18 | C19 | C15 | N16 | 0.1° | 0.2° |
| N18 | C19 | C15 | C9 | 179.8° | 180.0° |
| C19 | N18 | C20 | H10 | 23.5° | 5.0° |
| C19 | N18 | C20 | H11 | 97.2° | 115.0° |
| N17 | N16 | C15 | C19 | 0.1° | 0.2° |
| N17 | N16 | C15 | C9 | 179.9° | 180.0° |
| C19 | C15 | N16 | C9 | 180.0° | 179.8° |
| C19 | C15 | C9 | N7 | 109.5° | 94.7° |
| C19 | C15 | C9 | H6 | 10.7° | 145.3° |
| C19 | C15 | C9 | H7 | 130.3° | 25.3° |
| N16 | C15 | C9 | N7 | 70.5° | 85.6° |
| N16 | C15 | C9 | H6 | 169.3° | 34.5° |
| N16 | C15 | C9 | H7 | 49.7° | 154.5° |
| N16 | C15 | C19 | H9 | 179.9° | 179.8° |
| C15 | C9 | N7 | H6 | 120.2° | 120.0° |
| C15 | C9 | N7 | H7 | 120.2° | 119.9° |
| C15 | C9 | N7 | C6 | 33.5° | 72.4° |
| C15 | C9 | N7 | C8 | 87.4° | 163.7° |
| C15 | C9 | H6 | H7 | 119.4° | 120.0° |
| C9 | C15 | C19 | H9 | 0.1° | 0.0° |
| C9 | N7 | C6 | C8 | 119.6° | 123.9° |
| C9 | N7 | C6 | C4 | 115.7° | 64.9° |
| C9 | N7 | C8 | C10 | 137.7° | 172.9° |
| C9 | N7 | C6 | H2 | 124.0° | 175.0° |
| C9 | N7 | C6 | H3 | 4.6° | 55.1° |
| C9 | N7 | C8 | H4 | 17.4° | 67.1° |
| C9 | N7 | C8 | H5 | 102.0° | 52.9° |
| N7 | C9 | H6 | H7 | 119.4° | 120.0° |
| N7 | C6 | C4 | H2 | 120.3° | 120.0° |
| N7 | C6 | C4 | H3 | 120.3° | 120.0° |
| N7 | C6 | C4 | N5 | 136.7° | 84.5° |
| C6 | N7 | C8 | C10 | 102.2° | 63.1° |
| N7 | C6 | C4 | C3 | 44.0° | 95.6° |
| N7 | C6 | H2 | H3 | 119.1° | 119.9° |
| C6 | N7 | C8 | H4 | 137.5° | 56.9° |
| C6 | N7 | C8 | H5 | 18.1° | 176.9° |
| C6 | N7 | C9 | H6 | 86.7° | 167.6° |
| C6 | N7 | C9 | H7 | 153.7° | 47.6° |
| C8 | N7 | C6 | C4 | 124.7° | 59.0° |
| N7 | C8 | C10 | H4 | 120.3° | 120.0° |
| N7 | C8 | C10 | H5 | 120.3° | 120.0° |
| N7 | C8 | C10 | C11 | 149.6° | 92.7° |
| N7 | C8 | C10 | N14 | 30.7° | 87.6° |
| C8 | N7 | C6 | H2 | 4.4° | 61.0° |
| C8 | N7 | C6 | H3 | 115.0° | 179.0° |
| N7 | C8 | H4 | H5 | 119.2° | 120.0° |
| C8 | N7 | C9 | H6 | 152.4° | 43.7° |
| C8 | N7 | C9 | H7 | 32.8° | 76.4° |
| C6 | C4 | N5 | C3 | 179.5° | 180.0° |
| C6 | C4 | N5 | N1 | 179.4° | 179.8° |
| C6 | C4 | C3 | N2 | 179.4° | 180.0° |
| C6 | C4 | C3 | H1 | 0.6° | 0.3° |
| C4 | C6 | H2 | H3 | 119.1° | 120.0° |
| C4 | N5 | N1 | N2 | 0.1° | 0.4° |
| N5 | C4 | C3 | N2 | 0.0° | 0.0° |
| N5 | C4 | C3 | H1 | 180.0° | 179.7° |
| N5 | C4 | C6 | H2 | 103.0° | 35.5° |
| N5 | C4 | C6 | H3 | 16.4° | 155.6° |
| C4 | N5 | N1 | H35 | 179.9° | 180.0° |
| N1 | N5 | C4 | C3 | 0.1° | 0.2° |
| N5 | N1 | N2 | H35 | 180.0° | 179.6° |
| N5 | N1 | N2 | C3 | 0.1° | 0.4° |
| C8 | C10 | C11 | N14 | 179.8° | 179.8° |
| C8 | C10 | C11 | N12 | 179.8° | 180.0° |
| C8 | C10 | N14 | N13 | 179.7° | 179.9° |
| C10 | C8 | H4 | H5 | 119.2° | 120.0° |
| C8 | C10 | C11 | H8 | 0.2° | 0.0° |
| C4 | C3 | N2 | N1 | 0.0° | 0.3° |
| C4 | C3 | N2 | H1 | 180.0° | 179.7° |
| C3 | C4 | C6 | H2 | 76.3° | 144.4° |
| C3 | C4 | C6 | H3 | 164.2° | 24.4° |
| N1 | N2 | C3 | H1 | 180.0° | 179.9° |
| C10 | C11 | N12 | H8 | 180.0° | 179.9° |
| C11 | C10 | N14 | N13 | 0.1° | 0.4° |
| C10 | C11 | N12 | N13 | 0.1° | 0.0° |
| C11 | C10 | C8 | H4 | 29.3° | 147.4° |
| C11 | C10 | C8 | H5 | 90.1° | 27.3° |
| C10 | C11 | N12 | H37 | 179.9° | 180.0° |
| N14 | C10 | C11 | N12 | 0.0° | 0.2° |
| C10 | N14 | N13 | N12 | 0.1° | 0.4° |
| N14 | C10 | C8 | H4 | 150.9° | 32.4° |
| N14 | C10 | C8 | H5 | 89.7° | 152.4° |
| N14 | C10 | C11 | H8 | 180.0° | 179.7° |
| C3 | N2 | N1 | H35 | 179.9° | 180.0° |
| C11 | N12 | N13 | N14 | 0.2° | 0.3° |
| C11 | N12 | N13 | H37 | 180.0° | 180.0° |
| N14 | N13 | N12 | H37 | 179.9° | 179.7° |
| N13 | N12 | C11 | H8 | 179.9° | 180.0° |
| H8 | C11 | N12 | H37 | 0.1° | 0.0° |
| H10 | C20 | C21 | H12 | 108.2° | 60.0° |
| H10 | C20 | C21 | H13 | 132.0° | 180.0° |
| H11 | C20 | C21 | H12 | 131.1° | 180.0° |
| H11 | C20 | C21 | H13 | 11.2° | 60.0° |
| H14 | C23 | C24 | H16 | 76.5° | 55.1° |
| H14 | C23 | C24 | H17 | 43.6° | 65.0° |
| H15 | C23 | C24 | H16 | 162.7° | 65.0° |
| H15 | C23 | C24 | H17 | 77.2° | 175.0° |
| H18 | C26 | C27 | H20 | 106.1° | 55.0° |
| H18 | C26 | C27 | H21 | 133.1° | 65.0° |
| H19 | C26 | C27 | H20 | 14.0° | 65.0° |
| H19 | C26 | C27 | H21 | 106.8° | 175.0° |
| H22 | C29 | C30 | H24 | 58.9° | 60.0° |
| H22 | C29 | C30 | H25 | 59.9° | 180.0° |
| H23 | C29 | C30 | H24 | 179.4° | 180.0° |
| H23 | C29 | C30 | H25 | 60.6° | 60.0° |
| H24 | C30 | C31 | H26 | 164.0° | 180.0° |
| H24 | C30 | C31 | H27 | 43.8° | 60.0° |
| H25 | C30 | C31 | H26 | 77.2° | 60.0° |
| H25 | C30 | C31 | H27 | 162.6° | NaN° |
| H26 | C31 | C32 | H28 | 161.4° | NaN° |
| H26 | C31 | C32 | H29 | 42.4° | 60.0° |
| H27 | C31 | C32 | H28 | 78.4° | 60.0° |
| H27 | C31 | C32 | H29 | 162.6° | 180.0° |
| H28 | C32 | C33 | H30 | 41.6° | 180.0° |
| H28 | C32 | C33 | H31 | 78.1° | 60.0° |
| H29 | C32 | C33 | H30 | 160.6° | 60.0° |
| H29 | C32 | C33 | H31 | 40.9° | 180.0° |
| H30 | C33 | C34 | H32 | 59.9° | 180.0° |
| H30 | C33 | C34 | H33 | 179.8° | 60.1° |
| H30 | C33 | C34 | H34 | 60.2° | 60.0° |
| H31 | C33 | C34 | H32 | 59.8° | 60.0° |
| H31 | C33 | C34 | H33 | 60.2° | 180.0° |
| H31 | C33 | C34 | H34 | 179.9° | 59.9° |
| H32 | C34 | H33 | H34 | 120.0° | 119.9° |
