TP0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C14 | sing | 1.47Å | 1.49Å | |
| N1 | C19 | sing | 1.47Å | 1.49Å | |
| N1 | C20 | sing | 1.47Å | 1.48Å | |
| C3 | C6 | sing | 1.48Å | 1.50Å | |
| C3 | C7 | sing | 1.48Å | 1.51Å | |
| C3 | C8 | doub | 1.34Å | 1.36Å | |
| C4 | C6 | doub | 1.37Å | 1.38Å | Aromatic |
| C4 | C10 | sing | 1.39Å | 1.40Å | Aromatic |
| C4 | C21 | sing | 1.50Å | 1.53Å | |
| C5 | C7 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | C11 | sing | 1.40Å | 1.39Å | Aromatic |
| C5 | C22 | sing | 1.51Å | 1.51Å | |
| C6 | C12 | sing | 1.39Å | 1.40Å | Aromatic |
| C7 | C13 | sing | 1.40Å | 1.38Å | Aromatic |
| C8 | C29 | sing | 1.51Å | 1.51Å | |
| C10 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | C16 | doub | 1.37Å | 1.37Å | Aromatic |
| C12 | C17 | doub | 1.38Å | 1.40Å | Aromatic |
| C13 | C18 | doub | 1.37Å | 1.39Å | Aromatic |
| C14 | C29 | sing | 1.53Å | 1.55Å | |
| C15 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | C22 | sing | 1.50Å | 1.54Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C19 | H19B | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C20 | H20B | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H29A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | N1 | C19 | 109.8° | 111.0° |
| C14 | N1 | C20 | 119.1° | 111.0° |
| N1 | C14 | C29 | 115.6° | 109.5° |
| N1 | C14 | H14 | 107.5° | 109.4° |
| N1 | C14 | H14A | 107.5° | 109.5° |
| C19 | N1 | C20 | 106.9° | 111.0° |
| N1 | C19 | H19 | 109.5° | 109.4° |
| N1 | C19 | H19A | 109.5° | 109.5° |
| N1 | C19 | H19B | 109.4° | 109.4° |
| N1 | C20 | H20 | 109.5° | 109.4° |
| N1 | C20 | H20A | 109.5° | 109.5° |
| N1 | C20 | H20B | 109.4° | 109.4° |
| C6 | C3 | C7 | 116.9° | 121.4° |
| C6 | C3 | C8 | 123.5° | 119.3° |
| C3 | C6 | C4 | 116.9° | 117.3° |
| C3 | C6 | C12 | 121.1° | 121.4° |
| C7 | C3 | C8 | 119.6° | 119.3° |
| C3 | C7 | C5 | 122.4° | 123.7° |
| C3 | C7 | C13 | 117.5° | 116.2° |
| C3 | C8 | C29 | 124.1° | 120.0° |
| C3 | C8 | H8 | 117.9° | 120.0° |
| C6 | C4 | C10 | 119.7° | 119.6° |
| C6 | C4 | C21 | 119.5° | 120.2° |
| C4 | C6 | C12 | 122.0° | 121.2° |
| C10 | C4 | C21 | 120.9° | 120.2° |
| C4 | C10 | C15 | 118.3° | 119.6° |
| C4 | C10 | H10 | 120.8° | 120.2° |
| C4 | C21 | C22 | 115.5° | 113.2° |
| C4 | C21 | H21 | 107.5° | 108.7° |
| C4 | C21 | H21A | 107.5° | 108.7° |
| C7 | C5 | C11 | 118.9° | 118.1° |
| C7 | C5 | C22 | 127.1° | 127.8° |
| C5 | C7 | C13 | 120.0° | 120.1° |
| C11 | C5 | C22 | 114.0° | 114.1° |
| C5 | C11 | C16 | 120.9° | 121.6° |
| C5 | C11 | H11 | 119.6° | 119.2° |
| C5 | C22 | C21 | 118.1° | 115.2° |
| C5 | C22 | H22 | 106.7° | 108.4° |
| C5 | C22 | H22A | 106.7° | 108.3° |
| C6 | C12 | C17 | 118.6° | 119.0° |
| C6 | C12 | H12 | 120.7° | 120.5° |
| C7 | C13 | C18 | 120.3° | 120.9° |
| C7 | C13 | H13 | 119.9° | 119.5° |
| C8 | C29 | C14 | 112.7° | 109.5° |
| C29 | C8 | H8 | 117.9° | 120.0° |
| C8 | C29 | H29 | 108.4° | 109.5° |
| C8 | C29 | H29A | 108.4° | 109.5° |
| C10 | C15 | C17 | 122.0° | 120.7° |
| C15 | C10 | H10 | 120.9° | 120.2° |
| C10 | C15 | H15 | 119.0° | 119.7° |
| C11 | C16 | C18 | 120.5° | 120.0° |
| C16 | C11 | H11 | 119.6° | 119.2° |
| C11 | C16 | H16 | 119.8° | 120.0° |
| C12 | C17 | C15 | 119.5° | 119.9° |
| C17 | C12 | H12 | 120.7° | 120.5° |
| C12 | C17 | H17 | 120.3° | 120.0° |
| C13 | C18 | C16 | 119.5° | 119.2° |
| C18 | C13 | H13 | 119.8° | 119.6° |
| C13 | C18 | H18 | 120.2° | 120.4° |
| C29 | C14 | H14 | 107.5° | 109.5° |
| C29 | C14 | H14A | 107.5° | 109.4° |
| C14 | C29 | H29 | 108.4° | 109.4° |
| C14 | C29 | H29A | 108.4° | 109.5° |
| C17 | C15 | H15 | 119.0° | 119.6° |
| C15 | C17 | H17 | 120.3° | 120.1° |
| C18 | C16 | H16 | 119.8° | 119.9° |
| C16 | C18 | H18 | 120.3° | 120.4° |
| C22 | C21 | H21 | 107.5° | 108.7° |
| C22 | C21 | H21A | 107.5° | 108.8° |
| C21 | C22 | H22 | 106.7° | 108.4° |
| C21 | C22 | H22A | 106.7° | 108.3° |
| H14 | C14 | H14A | 111.4° | 109.5° |
| H19 | C19 | H19A | 109.4° | 109.5° |
| H19 | C19 | H19B | 109.5° | 109.4° |
| H19A | C19 | H19B | 109.5° | 109.5° |
| H20 | C20 | H20A | 109.4° | 109.5° |
| H20 | C20 | H20B | 109.5° | 109.5° |
| H20A | C20 | H20B | 109.5° | 109.5° |
| H21 | C21 | H21A | 111.4° | 108.6° |
| H22 | C22 | H22A | 112.1° | 108.1° |
| H29 | C29 | H29A | 110.6° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | N1 | C19 | C20 | 130.5° | 124.0° |
| N1 | C14 | C29 | C8 | 66.1° | 180.0° |
| N1 | C14 | C29 | H14 | 120.0° | 120.0° |
| N1 | C14 | C29 | H14A | 120.0° | 120.0° |
| N1 | C14 | H14 | H14A | 117.5° | 120.0° |
| C14 | N1 | C19 | H19 | 180.0° | 60.0° |
| C14 | N1 | C19 | H19A | 60.0° | 180.0° |
| C14 | N1 | C19 | H19B | 60.0° | 59.9° |
| C14 | N1 | C20 | H20 | 180.0° | 60.0° |
| C14 | N1 | C20 | H20A | 60.0° | 180.0° |
| C14 | N1 | C20 | H20B | 60.0° | 60.0° |
| N1 | C14 | C29 | H29 | 173.9° | 60.0° |
| N1 | C14 | C29 | H29A | 53.8° | 59.9° |
| C19 | N1 | C14 | C29 | 168.8° | 66.0° |
| C19 | N1 | C14 | H14 | 48.8° | 174.0° |
| C19 | N1 | C14 | H14A | 71.3° | 54.0° |
| N1 | C19 | H19 | H19A | 120.0° | 120.1° |
| N1 | C19 | H19 | H19B | 120.0° | 119.9° |
| N1 | C19 | H19A | H19B | 120.0° | 120.0° |
| C19 | N1 | C20 | H20 | 55.0° | 176.0° |
| C19 | N1 | C20 | H20A | 65.0° | 56.0° |
| C19 | N1 | C20 | H20B | 175.0° | 64.0° |
| C20 | N1 | C14 | C29 | 45.1° | 170.0° |
| C20 | N1 | C14 | H14 | 74.9° | 50.0° |
| C20 | N1 | C14 | H14A | 165.1° | 70.0° |
| C20 | N1 | C19 | H19 | 49.5° | 64.0° |
| C20 | N1 | C19 | H19A | 169.4° | 56.0° |
| C20 | N1 | C19 | H19B | 70.6° | 176.1° |
| N1 | C20 | H20 | H20A | 120.0° | 120.0° |
| N1 | C20 | H20 | H20B | 120.0° | 119.9° |
| N1 | C20 | H20A | H20B | 120.0° | 120.0° |
| C6 | C3 | C7 | C8 | 178.8° | 179.7° |
| C3 | C6 | C4 | C12 | 177.3° | 179.9° |
| C3 | C6 | C4 | C10 | 179.5° | 179.3° |
| C3 | C6 | C4 | C21 | 1.1° | 1.3° |
| C6 | C3 | C7 | C5 | 57.6° | 42.7° |
| C6 | C3 | C7 | C13 | 124.1° | 137.1° |
| C6 | C3 | C8 | C29 | 0.2° | 171.9° |
| C3 | C6 | C12 | C17 | 179.8° | 179.6° |
| C6 | C3 | C8 | H8 | 179.8° | 8.1° |
| C3 | C6 | C12 | H12 | 0.2° | 0.5° |
| C7 | C3 | C6 | C4 | 68.8° | 62.4° |
| C3 | C7 | C5 | C13 | 178.2° | 179.8° |
| C3 | C7 | C5 | C11 | 179.6° | 178.3° |
| C3 | C7 | C5 | C22 | 2.9° | 3.2° |
| C7 | C3 | C6 | C12 | 108.5° | 117.7° |
| C7 | C3 | C8 | C29 | 178.5° | 7.8° |
| C3 | C7 | C13 | C18 | 179.5° | 178.9° |
| C7 | C3 | C8 | H8 | 1.5° | 172.2° |
| C3 | C7 | C13 | H13 | 0.5° | 1.1° |
| C8 | C3 | C6 | C4 | 109.9° | 117.3° |
| C8 | C3 | C7 | C5 | 121.2° | 136.9° |
| C8 | C3 | C6 | C12 | 72.8° | 62.6° |
| C8 | C3 | C7 | C13 | 57.1° | 43.2° |
| C3 | C8 | C29 | H8 | 180.0° | 180.0° |
| C3 | C8 | C29 | C14 | 128.7° | 127.0° |
| C3 | C8 | C29 | H29 | 111.4° | 113.0° |
| C3 | C8 | C29 | H29A | 8.7° | 7.0° |
| C6 | C4 | C10 | C21 | 179.4° | 179.4° |
| C6 | C4 | C10 | C15 | 1.3° | 0.4° |
| C4 | C6 | C12 | C17 | 2.6° | 0.3° |
| C6 | C4 | C21 | C22 | 70.3° | 72.0° |
| C6 | C4 | C10 | H10 | 178.7° | 179.6° |
| C4 | C6 | C12 | H12 | 177.3° | 179.6° |
| C6 | C4 | C21 | H21 | 49.6° | 167.1° |
| C6 | C4 | C21 | H21A | 169.6° | 49.0° |
| C10 | C4 | C6 | C12 | 2.2° | 0.6° |
| C4 | C10 | C15 | H10 | 180.0° | 180.0° |
| C4 | C10 | C15 | C17 | 0.9° | 0.0° |
| C10 | C4 | C21 | C22 | 110.2° | 107.4° |
| C4 | C10 | C15 | H15 | 179.1° | 180.0° |
| C10 | C4 | C21 | H21 | 129.8° | 13.5° |
| C10 | C4 | C21 | H21A | 9.8° | 131.6° |
| C4 | C21 | C22 | C5 | 56.9° | 68.5° |
| C21 | C4 | C6 | C12 | 178.4° | 178.8° |
| C21 | C4 | C10 | C15 | 179.3° | 179.0° |
| C4 | C21 | C22 | H21 | 120.0° | 120.9° |
| C4 | C21 | C22 | H21A | 120.0° | 121.0° |
| C21 | C4 | C10 | H10 | 0.7° | 1.0° |
| C4 | C21 | H21 | H21A | 117.5° | 118.1° |
| C4 | C21 | C22 | H22 | 63.1° | 170.0° |
| C4 | C21 | C22 | H22A | 177.0° | 53.0° |
| C7 | C5 | C11 | C22 | 177.9° | 178.7° |
| C7 | C5 | C11 | C16 | 1.4° | 1.1° |
| C5 | C7 | C13 | C18 | 1.3° | 0.9° |
| C7 | C5 | C22 | C21 | 3.6° | 12.5° |
| C7 | C5 | C11 | H11 | 178.6° | 178.9° |
| C5 | C7 | C13 | H13 | 178.7° | 179.1° |
| C7 | C5 | C22 | H22 | 116.4° | 134.0° |
| C7 | C5 | C22 | H22A | 123.6° | 109.0° |
| C11 | C5 | C7 | C13 | 1.4° | 1.5° |
| C5 | C11 | C16 | H11 | 180.0° | 180.0° |
| C5 | C11 | C16 | C18 | 1.2° | 0.1° |
| C11 | C5 | C22 | C21 | 178.8° | 166.1° |
| C5 | C11 | C16 | H16 | 178.8° | 180.0° |
| C11 | C5 | C22 | H22 | 61.2° | 44.6° |
| C11 | C5 | C22 | H22A | 58.8° | 72.4° |
| C22 | C5 | C7 | C13 | 179.0° | 177.0° |
| C22 | C5 | C11 | C16 | 179.2° | 177.6° |
| C5 | C22 | C21 | H22 | 120.0° | 121.5° |
| C5 | C22 | C21 | H22A | 120.0° | 121.5° |
| C22 | C5 | C11 | H11 | 0.7° | 2.3° |
| C5 | C22 | C21 | H21 | 63.0° | 170.6° |
| C5 | C22 | C21 | H21A | 176.9° | 52.5° |
| C5 | C22 | H22 | H22A | 116.5° | 117.2° |
| C6 | C12 | C17 | H12 | 180.0° | 180.0° |
| C6 | C12 | C17 | C15 | 2.2° | 0.1° |
| C6 | C12 | C17 | H17 | 177.9° | 179.9° |
| C7 | C13 | C18 | H13 | 180.0° | 180.0° |
| C7 | C13 | C18 | C16 | 1.1° | 0.1° |
| C7 | C13 | C18 | H18 | 179.0° | 179.8° |
| C8 | C29 | C14 | H29 | 120.0° | 120.0° |
| C8 | C29 | C14 | H29A | 120.0° | 120.0° |
| C8 | C29 | C14 | H14 | 173.9° | 60.0° |
| C8 | C29 | C14 | H14A | 53.9° | 60.0° |
| C8 | C29 | H29 | H29A | 118.7° | 120.0° |
| C10 | C15 | C17 | C12 | 1.4° | 0.2° |
| C10 | C15 | C17 | H15 | 180.0° | 180.0° |
| C10 | C15 | C17 | H17 | 178.7° | 179.8° |
| C11 | C16 | C18 | C13 | 1.0° | 0.5° |
| C11 | C16 | C18 | H16 | 180.0° | 179.9° |
| C11 | C16 | C18 | H18 | 179.0° | 179.4° |
| C12 | C17 | C15 | H17 | 180.0° | 180.0° |
| C12 | C17 | C15 | H15 | 178.6° | 179.8° |
| C13 | C18 | C16 | H18 | 180.0° | 179.9° |
| C13 | C18 | C16 | H16 | 179.0° | 179.4° |
| C14 | C29 | C8 | H8 | 51.3° | 53.0° |
| C29 | C14 | H14 | H14A | 117.5° | 120.0° |
| C14 | C29 | H29 | H29A | 118.7° | 120.0° |
| C17 | C15 | C10 | H10 | 179.1° | 180.0° |
| C15 | C17 | C12 | H12 | 177.8° | 180.0° |
| C18 | C16 | C11 | H11 | 178.8° | 179.9° |
| C16 | C18 | C13 | H13 | 178.9° | 179.9° |
| C22 | C21 | H21 | H21A | 117.6° | 118.2° |
| C21 | C22 | H22 | H22A | 116.4° | 117.2° |
| H8 | C8 | C29 | H29 | 68.7° | 67.0° |
| H8 | C8 | C29 | H29A | 171.3° | 173.0° |
| H10 | C10 | C15 | H15 | 0.9° | 0.0° |
| H11 | C11 | C16 | H16 | 1.2° | 0.0° |
| H12 | C12 | C17 | H17 | 2.2° | 0.0° |
| H13 | C13 | C18 | H18 | 1.0° | 0.2° |
| H14 | C14 | C29 | H29 | 53.9° | 60.0° |
| H14 | C14 | C29 | H29A | 66.2° | 180.0° |
| H14A | C14 | C29 | H29 | 66.1° | 180.0° |
| H14A | C14 | C29 | H29A | 173.8° | 60.0° |
| H15 | C15 | C17 | H17 | 1.3° | 0.2° |
| H16 | C16 | C18 | H18 | 1.0° | 0.7° |
| H19 | C19 | H19A | H19B | 120.0° | 120.0° |
| H20 | C20 | H20A | H20B | 120.0° | 120.1° |
| H21 | C21 | C22 | H22 | 176.9° | 49.1° |
| H21 | C21 | C22 | H22A | 57.0° | 68.0° |
| H21A | C21 | C22 | H22 | 56.9° | 69.0° |
| H21A | C21 | C22 | H22A | 63.1° | 174.0° |
