I6T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N3 | C4 | doub | 1.32Å | 1.26Å | Aromatic |
| N3 | C2 | sing | 1.33Å | 1.52Å | Aromatic |
| C4 | N5 | sing | 1.32Å | 1.19Å | Aromatic |
| C4 | O11 | sing | 1.35Å | 1.41Å | |
| C2 | C1 | doub | 1.37Å | 1.36Å | Aromatic |
| C2 | C10 | sing | 1.50Å | 1.33Å | |
| C1 | C6 | sing | 1.40Å | 1.56Å | Aromatic |
| C1 | C7 | sing | 1.51Å | 1.61Å | |
| C6 | N12 | sing | 1.39Å | 1.47Å | |
| C6 | N5 | doub | 1.33Å | 1.24Å | Aromatic |
| C8 | N9 | sing | 1.47Å | 1.52Å | |
| C01 | C02 | sing | 1.51Å | 1.53Å | |
| C01 | O02 | doub | 1.21Å | 1.19Å | |
| C02 | C14 | sing | 1.53Å | 1.53Å | |
| C02 | C16 | sing | 1.53Å | 1.53Å | |
| C10 | N9 | sing | 1.47Å | 1.35Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C13 | N12 | sing | 1.47Å | 1.45Å | |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| C16 | O01 | sing | 1.43Å | 1.41Å | |
| C17 | N12 | sing | 1.47Å | 1.47Å | |
| C19 | C20 | sing | 1.53Å | 1.61Å | |
| C19 | O11 | sing | 1.43Å | 1.40Å | |
| C20 | C24 | sing | 1.55Å | 1.47Å | |
| C20 | N21 | sing | 1.48Å | 1.39Å | |
| C22 | C23 | sing | 1.54Å | 1.58Å | |
| C22 | N21 | sing | 1.47Å | 1.42Å | |
| C23 | C24 | sing | 1.55Å | 1.40Å | |
| C25 | N21 | sing | 1.47Å | 1.24Å | |
| C26 | C27 | doub | 1.38Å | 1.42Å | Aromatic |
| C26 | C31 | sing | 1.41Å | 1.36Å | Aromatic |
| C26 | N9 | sing | 1.39Å | 1.43Å | |
| C27 | C28 | sing | 1.39Å | 1.45Å | Aromatic |
| C28 | C29 | doub | 1.36Å | 1.42Å | Aromatic |
| C29 | C30 | sing | 1.41Å | 1.36Å | Aromatic |
| C30 | C31 | doub | 1.42Å | 1.51Å | Aromatic |
| C30 | C32 | sing | 1.41Å | 1.50Å | Aromatic |
| C31 | C35 | sing | 1.41Å | 1.44Å | Aromatic |
| C32 | C33 | doub | 1.36Å | 1.31Å | Aromatic |
| C33 | C34 | sing | 1.39Å | 1.20Å | Aromatic |
| C34 | C35 | doub | 1.36Å | 1.25Å | Aromatic |
| C35 | CL1 | sing | 1.74Å | 1.78Å | |
| C7 | H1 | sing | 1.09Å | 1.10Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C01 | H7 | sing | 1.08Å | 1.08Å | |
| C02 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C17 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C22 | H21 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H25 | sing | 1.09Å | 1.10Å | |
| C24 | H26 | sing | 1.09Å | 1.10Å | |
| C25 | H27 | sing | 1.09Å | 1.10Å | |
| C25 | H28 | sing | 1.09Å | 1.10Å | |
| C25 | H29 | sing | 1.09Å | 1.10Å | |
| C27 | H30 | sing | 1.08Å | 1.08Å | |
| C28 | H31 | sing | 1.08Å | 1.08Å | |
| C29 | H32 | sing | 1.08Å | 1.08Å | |
| C32 | H33 | sing | 1.08Å | 1.08Å | |
| C33 | H34 | sing | 1.08Å | 1.08Å | |
| C34 | H35 | sing | 1.08Å | 1.08Å | |
| O01 | H37 | sing | 0.97Å | 0.95Å | |
| C8 | C7 | sing | 1.53Å | 1.71Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | N3 | C2 | 122.9° | 121.0° |
| N3 | C4 | N5 | 125.6° | 121.7° |
| N3 | C4 | O11 | 115.0° | 119.1° |
| N3 | C2 | C1 | 113.1° | 119.0° |
| N3 | C2 | C10 | 128.1° | 119.1° |
| N5 | C4 | O11 | 119.5° | 119.2° |
| C4 | N5 | C6 | 121.3° | 120.5° |
| C4 | O11 | C19 | 117.7° | 117.0° |
| C1 | C2 | C10 | 118.7° | 121.9° |
| C2 | C1 | C6 | 112.9° | 118.7° |
| C2 | C1 | C7 | 118.9° | 121.9° |
| C2 | C10 | N9 | 126.2° | 110.4° |
| C2 | C10 | H9 | 105.1° | 109.3° |
| C2 | C10 | H10 | 105.1° | 109.3° |
| C6 | C1 | C7 | 128.2° | 119.4° |
| C1 | C6 | N12 | 117.5° | 120.5° |
| C1 | C6 | N5 | 124.1° | 119.0° |
| C1 | C7 | H1 | 110.0° | 109.4° |
| C1 | C7 | H2 | 110.0° | 109.4° |
| C1 | C7 | C8 | 107.3° | 109.8° |
| N12 | C6 | N5 | 118.4° | 120.5° |
| C6 | N12 | C13 | 117.9° | 111.0° |
| C6 | N12 | C17 | 120.1° | 111.0° |
| C8 | N9 | C10 | 113.1° | 110.4° |
| C8 | N9 | C26 | 116.8° | 111.0° |
| N9 | C8 | H4 | 112.6° | 109.7° |
| N9 | C8 | H5 | 112.6° | 109.6° |
| N9 | C8 | C7 | 96.5° | 108.6° |
| C02 | C01 | O02 | 117.7° | 120.0° |
| C01 | C02 | C14 | 111.3° | 109.5° |
| C01 | C02 | C16 | 108.9° | 109.5° |
| C02 | C01 | H7 | 121.1° | 120.0° |
| C01 | C02 | H8 | 108.7° | 109.5° |
| O02 | C01 | H7 | 121.1° | 120.0° |
| C14 | C02 | C16 | 110.7° | 109.2° |
| C02 | C14 | C13 | 108.1° | 109.3° |
| C14 | C02 | H8 | 108.5° | 109.5° |
| C02 | C14 | H13 | 109.8° | 109.5° |
| C02 | C14 | H14 | 109.8° | 109.5° |
| C02 | C16 | C17 | 106.2° | 109.3° |
| C02 | C16 | O01 | 112.5° | 109.5° |
| C16 | C02 | H8 | 108.7° | 109.6° |
| C02 | C16 | H15 | 109.3° | 109.4° |
| C10 | N9 | C26 | 115.0° | 111.0° |
| N9 | C10 | H9 | 105.2° | 109.3° |
| N9 | C10 | H10 | 105.1° | 109.3° |
| C14 | C13 | N12 | 111.9° | 109.5° |
| C14 | C13 | H11 | 108.9° | 109.4° |
| C14 | C13 | H12 | 108.9° | 109.5° |
| C13 | C14 | H13 | 109.8° | 109.5° |
| C13 | C14 | H14 | 109.8° | 109.5° |
| C13 | N12 | C17 | 116.5° | 111.2° |
| N12 | C13 | H11 | 108.8° | 109.5° |
| N12 | C13 | H12 | 108.9° | 109.5° |
| C17 | C16 | O01 | 108.4° | 109.5° |
| C16 | C17 | N12 | 111.6° | 109.5° |
| C17 | C16 | H15 | 109.4° | 109.5° |
| C16 | C17 | H16 | 108.9° | 109.5° |
| C16 | C17 | H17 | 108.9° | 109.4° |
| O01 | C16 | H15 | 110.9° | 109.5° |
| C16 | O01 | H37 | 109.5° | 114.0° |
| N12 | C17 | H16 | 108.9° | 109.5° |
| N12 | C17 | H17 | 108.9° | 109.5° |
| C20 | C19 | O11 | 109.1° | 109.5° |
| C19 | C20 | C24 | 108.1° | 110.4° |
| C19 | C20 | N21 | 111.7° | 110.3° |
| C20 | C19 | H18 | 109.6° | 109.4° |
| C20 | C19 | H19 | 109.6° | 109.5° |
| C19 | C20 | H20 | 108.2° | 110.3° |
| O11 | C19 | H18 | 109.5° | 109.5° |
| O11 | C19 | H19 | 109.6° | 109.5° |
| C24 | C20 | N21 | 107.7° | 104.8° |
| C20 | C24 | C23 | 107.7° | 101.7° |
| C24 | C20 | H20 | 110.0° | 110.4° |
| C20 | C24 | H25 | 109.9° | 111.0° |
| C20 | C24 | H26 | 109.9° | 111.0° |
| C20 | N21 | C22 | 108.3° | 108.6° |
| C20 | N21 | C25 | 111.9° | 111.0° |
| N21 | C20 | H20 | 111.2° | 110.5° |
| C23 | C22 | N21 | 101.6° | 107.2° |
| C22 | C23 | C24 | 104.8° | 103.0° |
| C23 | C22 | H21 | 111.4° | 109.9° |
| C23 | C22 | H22 | 111.4° | 109.8° |
| C22 | C23 | H23 | 110.6° | 110.7° |
| C22 | C23 | H24 | 110.6° | 110.7° |
| C22 | N21 | C25 | 109.5° | 111.0° |
| N21 | C22 | H21 | 111.4° | 109.9° |
| N21 | C22 | H22 | 111.4° | 109.9° |
| C24 | C23 | H23 | 110.6° | 110.7° |
| C24 | C23 | H24 | 110.6° | 110.7° |
| C23 | C24 | H25 | 109.9° | 111.0° |
| C23 | C24 | H26 | 109.9° | 111.0° |
| N21 | C25 | H27 | 109.5° | 109.4° |
| N21 | C25 | H28 | 109.5° | 109.5° |
| N21 | C25 | H29 | 109.5° | 109.4° |
| C27 | C26 | C31 | 122.9° | 119.4° |
| C27 | C26 | N9 | 115.0° | 120.3° |
| C26 | C27 | C28 | 118.9° | 120.7° |
| C26 | C27 | H30 | 120.6° | 119.6° |
| C31 | C26 | N9 | 122.1° | 120.3° |
| C26 | C31 | C30 | 116.8° | 119.3° |
| C26 | C31 | C35 | 131.0° | 121.2° |
| C27 | C28 | C29 | 120.0° | 121.1° |
| C28 | C27 | H30 | 120.6° | 119.7° |
| C27 | C28 | H31 | 120.0° | 119.5° |
| C28 | C29 | C30 | 119.2° | 119.9° |
| C29 | C28 | H31 | 120.0° | 119.4° |
| C28 | C29 | H32 | 120.4° | 120.1° |
| C29 | C30 | C31 | 122.3° | 119.5° |
| C29 | C30 | C32 | 121.6° | 121.2° |
| C30 | C29 | H32 | 120.4° | 120.0° |
| C31 | C30 | C32 | 116.2° | 119.3° |
| C30 | C31 | C35 | 112.3° | 119.4° |
| C30 | C32 | C33 | 119.6° | 119.7° |
| C30 | C32 | H33 | 120.2° | 120.1° |
| C31 | C35 | C34 | 118.9° | 119.6° |
| C31 | C35 | CL1 | 121.4° | 120.2° |
| C32 | C33 | C34 | 118.3° | 121.0° |
| C33 | C32 | H33 | 120.2° | 120.2° |
| C32 | C33 | H34 | 120.9° | 119.5° |
| C33 | C34 | C35 | 134.8° | 120.9° |
| C34 | C33 | H34 | 120.8° | 119.5° |
| C33 | C34 | H35 | 112.6° | 119.5° |
| C34 | C35 | CL1 | 119.7° | 120.2° |
| C35 | C34 | H35 | 112.6° | 119.5° |
| H1 | C7 | H2 | 109.5° | 109.4° |
| H1 | C7 | C8 | 110.0° | 109.4° |
| H2 | C7 | C8 | 110.0° | 109.4° |
| H4 | C8 | H5 | 109.4° | 109.6° |
| H4 | C8 | C7 | 112.6° | 109.6° |
| H5 | C8 | C7 | 112.6° | 109.7° |
| H9 | C10 | H10 | 109.5° | 109.1° |
| H11 | C13 | H12 | 109.5° | 109.4° |
| H13 | C14 | H14 | 109.5° | 109.6° |
| H16 | C17 | H17 | 109.5° | 109.5° |
| H18 | C19 | H19 | 109.5° | 109.5° |
| H21 | C22 | H22 | 109.5° | 110.1° |
| H23 | C23 | H24 | 109.5° | 110.8° |
| H25 | C24 | H26 | 109.5° | 110.9° |
| H27 | C25 | H28 | 109.5° | 109.5° |
| H27 | C25 | H29 | 109.4° | 109.5° |
| H28 | C25 | H29 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N3 | C4 | N5 | O11 | 179.9° | 179.9° |
| C4 | N3 | C2 | C1 | 1.3° | 0.3° |
| C4 | N3 | C2 | C10 | 180.0° | 179.5° |
| N3 | C4 | N5 | C6 | 0.0° | 0.0° |
| N3 | C4 | O11 | C19 | 176.5° | 0.1° |
| C2 | N3 | C4 | N5 | 1.1° | 0.1° |
| C2 | N3 | C4 | O11 | 179.0° | 180.0° |
| N3 | C2 | C1 | C10 | 178.8° | 179.8° |
| N3 | C2 | C1 | C6 | 0.6° | 0.3° |
| N3 | C2 | C1 | C7 | 178.7° | 179.5° |
| N3 | C2 | C10 | N9 | 177.7° | 162.5° |
| N3 | C2 | C10 | H9 | 55.5° | 42.2° |
| N3 | C2 | C10 | H10 | 60.0° | 77.1° |
| C4 | N5 | C6 | C1 | 0.8° | 0.1° |
| C4 | N5 | C6 | N12 | 179.9° | 180.0° |
| N5 | C4 | O11 | C19 | 3.4° | 180.0° |
| O11 | C4 | N5 | C6 | 179.9° | 179.9° |
| C4 | O11 | C19 | C20 | 178.8° | 180.0° |
| C4 | O11 | C19 | H18 | 58.8° | 60.0° |
| C4 | O11 | C19 | H19 | 61.3° | 60.0° |
| C2 | C1 | C6 | C7 | 179.2° | 179.8° |
| C2 | C1 | C6 | N12 | 179.5° | 179.8° |
| C2 | C1 | C6 | N5 | 0.4° | 0.2° |
| C1 | C2 | C10 | N9 | 3.7° | 17.7° |
| C2 | C1 | C7 | H1 | 150.2° | 137.1° |
| C2 | C1 | C7 | H2 | 89.1° | 103.1° |
| C1 | C2 | C10 | H9 | 126.0° | 138.0° |
| C1 | C2 | C10 | H10 | 118.5° | 102.6° |
| C2 | C1 | C7 | C8 | 30.5° | 17.0° |
| C10 | C2 | C1 | C6 | 179.3° | 179.5° |
| C10 | C2 | C1 | C7 | 0.0° | 0.8° |
| C2 | C10 | N9 | C8 | 43.9° | 52.4° |
| C2 | C10 | N9 | H9 | 122.2° | 120.3° |
| C2 | C10 | N9 | H10 | 122.2° | 120.3° |
| C2 | C10 | N9 | C26 | 178.3° | 175.9° |
| C2 | C10 | H9 | H10 | 112.5° | 119.5° |
| C1 | C6 | N12 | N5 | 179.1° | 180.0° |
| C1 | C6 | N12 | C13 | 159.9° | 118.2° |
| C1 | C6 | N12 | C17 | 47.1° | 117.7° |
| C6 | C1 | C7 | H1 | 29.0° | 43.1° |
| C6 | C1 | C7 | H2 | 91.7° | 76.7° |
| C6 | C1 | C7 | C8 | 148.6° | 163.2° |
| C7 | C1 | C6 | N12 | 1.3° | 0.4° |
| C7 | C1 | C6 | N5 | 179.6° | 179.6° |
| C1 | C7 | C8 | N9 | 57.9° | 50.2° |
| C1 | C7 | H1 | H2 | 121.0° | 119.8° |
| C1 | C7 | H1 | C8 | 118.0° | 120.3° |
| C1 | C7 | H2 | C8 | 118.0° | 120.3° |
| C1 | C7 | C8 | H4 | 175.7° | 69.6° |
| C1 | C7 | C8 | H5 | 59.9° | 170.0° |
| C6 | N12 | C13 | C14 | 104.3° | 174.2° |
| C6 | N12 | C13 | C17 | 153.9° | 124.0° |
| C6 | N12 | C17 | C16 | 100.3° | 174.2° |
| C6 | N12 | C13 | H11 | 16.1° | 65.8° |
| C6 | N12 | C13 | H12 | 135.3° | 54.2° |
| C6 | N12 | C17 | H16 | 139.3° | 54.2° |
| C6 | N12 | C17 | H17 | 20.0° | 65.8° |
| N5 | C6 | N12 | C13 | 21.0° | 61.9° |
| N5 | C6 | N12 | C17 | 132.0° | 62.3° |
| C8 | N9 | C10 | C26 | 137.8° | 123.5° |
| C8 | N9 | C26 | C27 | 39.3° | 60.0° |
| C8 | N9 | C26 | C31 | 143.1° | 119.8° |
| N9 | C8 | C7 | H1 | 177.6° | 170.2° |
| N9 | C8 | C7 | H2 | 61.7° | 69.9° |
| N9 | C8 | H4 | H5 | 126.1° | 120.4° |
| N9 | C8 | H4 | C7 | 107.8° | 119.1° |
| N9 | C8 | H5 | C7 | 107.8° | 119.1° |
| C8 | N9 | C10 | H9 | 166.1° | 172.8° |
| C8 | N9 | C10 | H10 | 78.3° | 67.9° |
| C02 | C01 | O02 | H7 | 180.0° | 179.9° |
| C01 | C02 | C14 | C16 | 121.3° | 119.9° |
| C01 | C02 | C14 | H8 | 119.5° | 120.1° |
| C01 | C02 | C16 | H8 | 118.2° | 120.1° |
| C01 | C02 | C14 | C13 | 177.7° | 62.3° |
| C01 | C02 | C16 | C17 | 173.9° | 62.2° |
| C01 | C02 | C16 | O01 | 67.7° | 57.7° |
| C01 | C02 | C14 | H13 | 62.6° | 57.7° |
| C01 | C02 | C14 | H14 | 57.9° | 177.8° |
| C01 | C02 | C16 | H15 | 56.0° | 177.8° |
| O02 | C01 | C02 | C14 | 149.7° | 120.0° |
| O02 | C01 | C02 | C16 | 27.4° | 120.3° |
| O02 | C01 | C02 | H8 | 90.8° | 0.1° |
| C14 | C02 | C16 | H8 | 119.1° | 120.0° |
| C02 | C14 | C13 | H13 | 119.8° | 120.0° |
| C02 | C14 | C13 | H14 | 119.8° | 119.9° |
| C02 | C14 | C13 | N12 | 51.7° | 59.2° |
| C14 | C02 | C16 | C17 | 63.4° | 57.7° |
| C14 | C02 | C16 | O01 | 55.0° | 177.6° |
| C14 | C02 | C01 | H7 | 30.3° | 60.0° |
| C02 | C14 | C13 | H11 | 172.1° | 60.9° |
| C02 | C14 | C13 | H12 | 68.6° | 179.2° |
| C02 | C14 | H13 | H14 | 120.6° | 120.1° |
| C14 | C02 | C16 | H15 | 178.7° | 62.3° |
| C16 | C02 | C14 | C13 | 61.1° | 57.6° |
| C02 | C16 | C17 | O01 | 121.0° | 119.9° |
| C02 | C16 | C17 | H15 | 117.9° | 119.9° |
| C02 | C16 | O01 | H15 | 122.8° | 120.0° |
| C02 | C16 | C17 | N12 | 57.2° | 59.2° |
| C16 | C02 | C01 | H7 | 152.6° | 59.7° |
| C16 | C02 | C14 | H13 | 58.7° | 177.6° |
| C16 | C02 | C14 | H14 | 179.1° | 62.3° |
| C02 | C16 | C17 | H16 | 63.2° | 179.1° |
| C02 | C16 | C17 | H17 | 177.5° | 60.8° |
| C02 | C16 | O01 | H37 | 180.0° | 180.0° |
| C10 | N9 | C26 | C27 | 96.8° | 63.1° |
| C10 | N9 | C26 | C31 | 80.8° | 117.1° |
| C10 | N9 | C8 | H4 | 176.1° | 48.7° |
| C10 | N9 | C8 | H5 | 51.8° | 169.1° |
| N9 | C10 | H9 | H10 | 112.5° | 119.5° |
| C10 | N9 | C8 | C7 | 66.1° | 71.0° |
| C14 | C13 | N12 | H11 | 120.4° | 120.0° |
| C14 | C13 | N12 | H12 | 120.4° | 120.0° |
| C14 | C13 | N12 | C17 | 49.6° | 61.8° |
| C13 | C14 | C02 | H8 | 58.1° | 177.6° |
| C14 | C13 | H11 | H12 | 118.9° | 120.0° |
| C13 | C14 | H13 | H14 | 120.6° | 120.1° |
| C13 | N12 | C17 | C16 | 53.0° | 61.8° |
| N12 | C13 | H11 | H12 | 118.9° | 120.0° |
| N12 | C13 | C14 | H13 | 68.0° | 179.1° |
| N12 | C13 | C14 | H14 | 171.6° | 60.7° |
| C13 | N12 | C17 | H16 | 67.4° | 178.2° |
| C13 | N12 | C17 | H17 | 173.3° | 58.2° |
| C17 | C16 | O01 | H15 | 120.1° | 120.2° |
| C16 | C17 | N12 | H16 | 120.3° | 120.0° |
| C16 | C17 | N12 | H17 | 120.3° | 120.0° |
| C17 | C16 | C02 | H8 | 55.7° | 177.6° |
| C16 | C17 | H16 | H17 | 119.0° | 120.0° |
| C17 | C16 | O01 | H37 | 62.9° | 60.2° |
| O01 | C16 | C17 | N12 | 63.9° | 179.1° |
| O01 | C16 | C02 | H8 | 174.1° | 62.4° |
| O01 | C16 | C17 | H16 | 175.8° | 60.9° |
| O01 | C16 | C17 | H17 | 56.4° | 59.1° |
| C17 | N12 | C13 | H11 | 170.0° | 58.2° |
| C17 | N12 | C13 | H12 | 70.8° | 178.2° |
| N12 | C17 | C16 | H15 | 175.0° | 60.7° |
| N12 | C17 | H16 | H17 | 119.0° | 120.0° |
| C20 | C19 | O11 | H18 | 119.9° | 120.0° |
| C20 | C19 | O11 | H19 | 120.0° | 120.0° |
| C19 | C20 | C24 | N21 | 120.8° | 118.8° |
| C19 | C20 | C24 | H20 | 117.9° | 122.2° |
| C19 | C20 | N21 | H20 | 121.0° | 122.3° |
| C19 | C20 | N21 | C22 | 144.6° | 142.9° |
| C19 | C20 | C24 | C23 | 128.4° | 155.9° |
| C19 | C20 | N21 | C25 | 94.6° | 94.8° |
| C20 | C19 | H18 | H19 | 120.2° | 120.0° |
| C19 | C20 | C24 | H25 | 8.7° | 37.8° |
| C19 | C20 | C24 | H26 | 111.8° | 86.0° |
| O11 | C19 | C20 | C24 | 54.1° | 175.0° |
| O11 | C19 | C20 | N21 | 64.1° | 69.7° |
| O11 | C19 | H18 | H19 | 120.2° | 120.0° |
| O11 | C19 | C20 | H20 | 173.1° | 52.7° |
| C24 | C20 | N21 | H20 | 120.5° | 118.9° |
| C20 | C24 | C23 | C22 | 11.6° | 35.7° |
| C24 | C20 | N21 | C22 | 26.2° | 24.1° |
| C20 | C24 | C23 | H25 | 119.7° | 118.1° |
| C20 | C24 | C23 | H26 | 119.7° | 118.1° |
| C24 | C20 | N21 | C25 | 146.9° | 146.4° |
| C24 | C20 | C19 | H18 | 174.0° | 55.0° |
| C24 | C20 | C19 | H19 | 65.8° | 65.0° |
| C20 | C24 | C23 | H23 | 130.9° | 82.7° |
| C20 | C24 | C23 | H24 | 107.6° | 154.0° |
| C20 | C24 | H25 | H26 | 120.8° | 123.8° |
| C20 | N21 | C22 | C23 | 31.8° | 1.0° |
| C20 | N21 | C22 | C25 | 122.2° | 122.2° |
| N21 | C20 | C24 | C23 | 7.7° | 37.1° |
| N21 | C20 | C19 | H18 | 55.8° | 170.3° |
| N21 | C20 | C19 | H19 | 175.9° | 50.4° |
| C20 | N21 | C22 | H21 | 150.6° | 120.4° |
| C20 | N21 | C22 | H22 | 86.9° | 118.3° |
| N21 | C20 | C24 | H25 | 112.0° | 81.0° |
| N21 | C20 | C24 | H26 | 127.4° | 155.2° |
| C20 | N21 | C25 | H27 | 180.0° | 60.0° |
| C20 | N21 | C25 | H28 | 60.0° | 180.0° |
| C20 | N21 | C25 | H29 | 60.0° | 60.0° |
| C23 | C22 | N21 | H21 | 118.8° | 119.4° |
| C23 | C22 | N21 | H22 | 118.7° | 119.3° |
| C22 | C23 | C24 | H23 | 119.2° | 118.3° |
| C22 | C23 | C24 | H24 | 119.3° | 118.3° |
| C23 | C22 | N21 | C25 | 154.0° | 123.3° |
| C23 | C22 | H21 | H22 | 123.6° | 121.1° |
| C22 | C23 | H23 | H24 | 122.1° | 123.2° |
| C22 | C23 | C24 | H25 | 131.3° | 82.4° |
| C22 | C23 | C24 | H26 | 108.1° | 153.8° |
| N21 | C22 | C23 | C24 | 26.3° | 22.3° |
| C22 | N21 | C20 | H20 | 94.4° | 94.8° |
| N21 | C22 | H21 | H22 | 123.6° | 121.2° |
| N21 | C22 | C23 | H23 | 145.6° | 96.1° |
| N21 | C22 | C23 | H24 | 93.0° | 140.6° |
| C22 | N21 | C25 | H27 | 60.0° | 179.1° |
| C22 | N21 | C25 | H28 | 60.0° | 59.1° |
| C22 | N21 | C25 | H29 | 180.0° | 60.9° |
| C23 | C24 | C20 | H20 | 113.6° | 81.9° |
| C24 | C23 | C22 | H21 | 145.0° | 97.1° |
| C24 | C23 | C22 | H22 | 92.4° | 141.7° |
| C24 | C23 | H23 | H24 | 122.2° | 123.3° |
| C23 | C24 | H25 | H26 | 120.8° | 123.9° |
| C25 | N21 | C20 | H20 | 26.4° | 27.5° |
| C25 | N21 | C22 | H21 | 87.2° | 117.4° |
| C25 | N21 | C22 | H22 | 35.3° | 3.9° |
| N21 | C25 | H27 | H28 | 120.0° | 120.0° |
| N21 | C25 | H27 | H29 | 120.0° | 119.9° |
| N21 | C25 | H28 | H29 | 120.0° | 119.9° |
| C27 | C26 | C31 | N9 | 177.4° | 179.8° |
| C26 | C27 | C28 | H30 | 180.0° | 180.0° |
| C26 | C27 | C28 | C29 | 0.2° | 0.0° |
| C27 | C26 | C31 | C30 | 1.1° | 0.1° |
| C27 | C26 | C31 | C35 | 179.8° | 180.0° |
| C26 | C27 | C28 | H31 | 179.8° | 180.0° |
| C31 | C26 | C27 | C28 | 0.4° | 0.0° |
| C26 | C31 | C30 | C29 | 1.2° | 0.1° |
| C26 | C31 | C30 | C35 | 178.9° | 180.0° |
| C26 | C31 | C30 | C32 | 179.8° | 179.9° |
| C26 | C31 | C35 | C34 | 179.9° | 179.9° |
| C26 | C31 | C35 | CL1 | 1.6° | 0.0° |
| C31 | C26 | C27 | H30 | 179.6° | 180.0° |
| N9 | C26 | C27 | C28 | 178.0° | 179.8° |
| N9 | C26 | C31 | C30 | 178.5° | 179.7° |
| N9 | C26 | C31 | C35 | 2.8° | 0.2° |
| C26 | N9 | C8 | H4 | 39.2° | 74.8° |
| C26 | N9 | C8 | H5 | 85.2° | 45.6° |
| C26 | N9 | C10 | H9 | 56.1° | 63.8° |
| C26 | N9 | C10 | H10 | 59.4° | 55.6° |
| N9 | C26 | C27 | H30 | 2.0° | 0.2° |
| C26 | N9 | C8 | C7 | 157.0° | 165.5° |
| C27 | C28 | C29 | H31 | 180.0° | 180.0° |
| C27 | C28 | C29 | C30 | 0.1° | 0.0° |
| C27 | C28 | C29 | H32 | 179.9° | 180.0° |
| C28 | C29 | C30 | H32 | 180.0° | 180.0° |
| C28 | C29 | C30 | C31 | 0.7° | 0.0° |
| C28 | C29 | C30 | C32 | 179.6° | 180.0° |
| C29 | C28 | C27 | H30 | 179.8° | 180.0° |
| C29 | C30 | C31 | C32 | 178.9° | 180.0° |
| C29 | C30 | C31 | C35 | 179.8° | 180.0° |
| C29 | C30 | C32 | C33 | 179.5° | 180.0° |
| C30 | C29 | C28 | H31 | 179.9° | 180.0° |
| C29 | C30 | C32 | H33 | 0.5° | 0.0° |
| C31 | C30 | C32 | C33 | 0.5° | 0.0° |
| C30 | C31 | C35 | C34 | 1.4° | 0.0° |
| C30 | C31 | C35 | CL1 | 177.2° | 180.0° |
| C31 | C30 | C29 | H32 | 179.3° | 180.0° |
| C31 | C30 | C32 | H33 | 179.5° | 179.9° |
| C32 | C30 | C31 | C35 | 0.9° | 0.0° |
| C30 | C32 | C33 | H33 | 180.0° | 180.0° |
| C30 | C32 | C33 | C34 | 0.6° | 0.0° |
| C32 | C30 | C29 | H32 | 0.4° | 0.0° |
| C30 | C32 | C33 | H34 | 179.3° | 180.0° |
| C31 | C35 | C34 | C33 | 1.9° | 0.0° |
| C31 | C35 | C34 | CL1 | 178.6° | 180.0° |
| C31 | C35 | C34 | H35 | 178.1° | 180.0° |
| C32 | C33 | C34 | H34 | 180.0° | 179.9° |
| C32 | C33 | C34 | C35 | 1.5° | 0.0° |
| C32 | C33 | C34 | H35 | 178.5° | 180.0° |
| C33 | C34 | C35 | H35 | 180.0° | 180.0° |
| C33 | C34 | C35 | CL1 | 176.7° | 180.0° |
| C34 | C33 | C32 | H33 | 179.3° | 179.9° |
| C35 | C34 | C33 | H34 | 178.5° | 179.9° |
| CL1 | C35 | C34 | H35 | 3.4° | 0.0° |
| H1 | C7 | H2 | C8 | 121.0° | 119.9° |
| H1 | C7 | C8 | H4 | 64.6° | 50.4° |
| H1 | C7 | C8 | H5 | 59.8° | 70.0° |
| H2 | C7 | C8 | H4 | 56.1° | 170.3° |
| H2 | C7 | C8 | H5 | 179.5° | 49.9° |
| H4 | C8 | H5 | C7 | 126.1° | 120.4° |
| H7 | C01 | C02 | H8 | 89.2° | 179.8° |
| H8 | C02 | C14 | H13 | 177.9° | 62.4° |
| H8 | C02 | C14 | H14 | 61.7° | 57.7° |
| H8 | C02 | C16 | H15 | 62.2° | 57.7° |
| H11 | C13 | C14 | H13 | 52.3° | 59.1° |
| H11 | C13 | C14 | H14 | 68.1° | 179.3° |
| H12 | C13 | C14 | H13 | 171.6° | 60.9° |
| H12 | C13 | C14 | H14 | 51.2° | 59.3° |
| H15 | C16 | C17 | H16 | 54.7° | 59.2° |
| H15 | C16 | C17 | H17 | 64.7° | 179.3° |
| H15 | C16 | O01 | H37 | 57.2° | 60.0° |
| H18 | C19 | C20 | H20 | 66.9° | 67.3° |
| H19 | C19 | C20 | H20 | 53.2° | 172.7° |
| H20 | C20 | C24 | H25 | 126.6° | 160.0° |
| H20 | C20 | C24 | H26 | 6.1° | 36.2° |
| H21 | C22 | C23 | H23 | 95.7° | 144.5° |
| H21 | C22 | C23 | H24 | 25.8° | 21.2° |
| H22 | C22 | C23 | H23 | 26.8° | 23.3° |
| H22 | C22 | C23 | H24 | 148.3° | 100.0° |
| H23 | C23 | C24 | H25 | 109.4° | 159.2° |
| H23 | C23 | C24 | H26 | 11.1° | 35.4° |
| H24 | C23 | C24 | H25 | 12.1° | 35.9° |
| H24 | C23 | C24 | H26 | 132.6° | 87.9° |
| H27 | C25 | H28 | H29 | 119.9° | 120.1° |
| H30 | C27 | C28 | H31 | 0.2° | 0.0° |
| H31 | C28 | C29 | H32 | 0.1° | 0.0° |
| H33 | C32 | C33 | H34 | 0.7° | 0.0° |
| H34 | C33 | C34 | H35 | 1.5° | 0.1° |
