A1H6G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C19 | C18 | sing | 1.51Å | 1.48Å | |
| C18 | S17 | sing | 1.71Å | 1.74Å | Aromatic |
| C18 | N20 | doub | 1.28Å | 1.30Å | Aromatic |
| S17 | C16 | sing | 1.76Å | 1.74Å | Aromatic |
| N20 | C21 | sing | 1.35Å | 1.40Å | Aromatic |
| C16 | C21 | doub | 1.40Å | 1.40Å | Aromatic |
| C16 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C21 | C22 | sing | 1.41Å | 1.40Å | Aromatic |
| C15 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | C23 | doub | 1.36Å | 1.39Å | Aromatic |
| C14 | C23 | sing | 1.39Å | 1.39Å | Aromatic |
| C14 | S13 | sing | 1.76Å | 1.76Å | |
| O25 | S13 | doub | 1.42Å | 1.43Å | |
| S13 | N12 | sing | 1.66Å | 1.65Å | |
| S13 | O24 | doub | 1.42Å | 1.43Å | |
| C11 | N12 | sing | 1.47Å | 1.48Å | |
| C11 | C10 | sing | 1.53Å | 1.52Å | |
| C28 | C7 | sing | 1.54Å | 1.53Å | |
| C28 | C9 | sing | 1.53Å | 1.54Å | |
| N12 | C26 | sing | 1.47Å | 1.47Å | |
| C26 | C27 | sing | 1.53Å | 1.52Å | |
| C10 | C9 | sing | 1.53Å | 1.54Å | |
| C30 | C29 | doub | 1.38Å | 1.38Å | Aromatic |
| C30 | C31 | sing | 1.39Å | 1.39Å | Aromatic |
| C36 | C37 | doub | 1.38Å | 1.39Å | Aromatic |
| C36 | C35 | sing | 1.38Å | 1.38Å | Aromatic |
| C29 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | N6 | sing | 1.47Å | 1.50Å | |
| C7 | C8 | sing | 1.54Å | 1.50Å | |
| N6 | C5 | sing | 1.47Å | 1.50Å | |
| C37 | C32 | sing | 1.39Å | 1.40Å | Aromatic |
| C35 | C34 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | C27 | sing | 1.53Å | 1.54Å | |
| C9 | C8 | sing | 1.53Å | 1.55Å | |
| C32 | C31 | sing | 1.48Å | 1.49Å | |
| C32 | C33 | doub | 1.39Å | 1.40Å | Aromatic |
| C34 | C33 | sing | 1.38Å | 1.39Å | Aromatic |
| C31 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.51Å | 1.51Å | |
| C4 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | CL1 | sing | 1.74Å | 1.73Å | |
| C3 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.08Å | 1.08Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C22 | H15 | sing | 1.08Å | 1.08Å | |
| C23 | H16 | sing | 1.08Å | 1.08Å | |
| N6 | H17 | sing | 1.01Å | 1.00Å | |
| C26 | H19 | sing | 1.09Å | 1.10Å | |
| C26 | H20 | sing | 1.09Å | 1.10Å | |
| C27 | H21 | sing | 1.09Å | 1.10Å | |
| C27 | H22 | sing | 1.09Å | 1.10Å | |
| C28 | H23 | sing | 1.09Å | 1.10Å | |
| C28 | H24 | sing | 1.09Å | 1.10Å | |
| C29 | H25 | sing | 1.08Å | 1.08Å | |
| C30 | H26 | sing | 1.08Å | 1.08Å | |
| C33 | H27 | sing | 1.08Å | 1.08Å | |
| C34 | H28 | sing | 1.08Å | 1.08Å | |
| C35 | H29 | sing | 1.08Å | 1.08Å | |
| C36 | H30 | sing | 1.08Å | 1.08Å | |
| C37 | H31 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C19 | C18 | S17 | 119.9° | 124.3° |
| C19 | C18 | N20 | 124.0° | 124.2° |
| C18 | C19 | H12 | 109.5° | 109.5° |
| C18 | C19 | H13 | 109.5° | 109.5° |
| C18 | C19 | H14 | 109.5° | 109.4° |
| S17 | C18 | N20 | 116.0° | 111.5° |
| C18 | S17 | C16 | 89.2° | 90.8° |
| C18 | N20 | C21 | 110.5° | 117.8° |
| S17 | C16 | C21 | 109.4° | 108.0° |
| S17 | C16 | C15 | 129.0° | 131.7° |
| N20 | C21 | C16 | 114.9° | 111.8° |
| N20 | C21 | C22 | 126.0° | 129.7° |
| C21 | C16 | C15 | 121.6° | 120.2° |
| C16 | C21 | C22 | 119.1° | 118.5° |
| C16 | C15 | C14 | 118.3° | 120.0° |
| C16 | C15 | H11 | 120.8° | 120.0° |
| C21 | C22 | C23 | 120.1° | 120.4° |
| C21 | C22 | H15 | 119.9° | 119.8° |
| C15 | C14 | C23 | 121.3° | 120.1° |
| C15 | C14 | S13 | 119.1° | 119.9° |
| C14 | C15 | H11 | 120.9° | 120.0° |
| C22 | C23 | C14 | 119.6° | 120.8° |
| C23 | C22 | H15 | 120.0° | 119.8° |
| C22 | C23 | H16 | 120.2° | 119.6° |
| C23 | C14 | S13 | 119.6° | 120.0° |
| C14 | C23 | H16 | 120.2° | 119.6° |
| C14 | S13 | O25 | 108.1° | 106.4° |
| C14 | S13 | N12 | 107.7° | 107.2° |
| C14 | S13 | O24 | 107.4° | 106.4° |
| O25 | S13 | N12 | 106.9° | 106.4° |
| O25 | S13 | O24 | 119.8° | 123.2° |
| N12 | S13 | O24 | 106.5° | 106.4° |
| S13 | N12 | C11 | 119.2° | 120.5° |
| S13 | N12 | C26 | 116.7° | 120.4° |
| N12 | C11 | C10 | 109.4° | 108.8° |
| C11 | N12 | C26 | 111.6° | 119.1° |
| N12 | C11 | H9 | 109.5° | 109.6° |
| N12 | C11 | H10 | 109.5° | 109.6° |
| C11 | C10 | C9 | 111.5° | 109.1° |
| C11 | C10 | H7 | 108.9° | 109.5° |
| C11 | C10 | H8 | 108.9° | 109.6° |
| C10 | C11 | H9 | 109.5° | 109.6° |
| C10 | C11 | H10 | 109.5° | 109.6° |
| C7 | C28 | C9 | 84.8° | 87.0° |
| C28 | C7 | N6 | 117.5° | 113.6° |
| C28 | C7 | C8 | 90.0° | 87.1° |
| C28 | C7 | H4 | 108.9° | 113.7° |
| C7 | C28 | H23 | 115.2° | 113.7° |
| C7 | C28 | H24 | 115.2° | 113.6° |
| C28 | C9 | C10 | 114.8° | 113.5° |
| C28 | C9 | C27 | 115.0° | 113.6° |
| C28 | C9 | C8 | 87.8° | 87.4° |
| C9 | C28 | H23 | 115.2° | 113.7° |
| C9 | C28 | H24 | 115.2° | 113.6° |
| N12 | C26 | C27 | 109.7° | 108.7° |
| N12 | C26 | H19 | 109.4° | 109.6° |
| N12 | C26 | H20 | 109.4° | 109.6° |
| C26 | C27 | C9 | 111.3° | 109.1° |
| C27 | C26 | H19 | 109.4° | 109.6° |
| C27 | C26 | H20 | 109.4° | 109.6° |
| C26 | C27 | H21 | 109.0° | 109.6° |
| C26 | C27 | H22 | 109.0° | 109.5° |
| C10 | C9 | C27 | 109.6° | 113.0° |
| C10 | C9 | C8 | 114.9° | 113.5° |
| C9 | C10 | H7 | 109.0° | 109.6° |
| C9 | C10 | H8 | 108.9° | 109.6° |
| C29 | C30 | C31 | 120.9° | 119.9° |
| C30 | C29 | C4 | 121.4° | 120.1° |
| C30 | C29 | H25 | 119.3° | 119.9° |
| C29 | C30 | H26 | 119.5° | 120.0° |
| C30 | C31 | C32 | 117.7° | 120.1° |
| C30 | C31 | C2 | 117.4° | 119.7° |
| C31 | C30 | H26 | 119.5° | 120.0° |
| C37 | C36 | C35 | 120.3° | 120.1° |
| C36 | C37 | C32 | 120.7° | 119.8° |
| C37 | C36 | H30 | 119.8° | 119.9° |
| C36 | C37 | H31 | 119.7° | 120.1° |
| C36 | C35 | C34 | 119.7° | 120.2° |
| C36 | C35 | H29 | 120.1° | 119.9° |
| C35 | C36 | H30 | 119.9° | 119.9° |
| C29 | C4 | C5 | 121.1° | 119.9° |
| C29 | C4 | C3 | 118.1° | 120.3° |
| C4 | C29 | H25 | 119.3° | 119.9° |
| N6 | C7 | C8 | 120.4° | 113.6° |
| C7 | N6 | C5 | 121.8° | 111.0° |
| N6 | C7 | H4 | 109.2° | 112.8° |
| C7 | N6 | H17 | 106.3° | 111.0° |
| C7 | C8 | C9 | 85.6° | 87.0° |
| C8 | C7 | H4 | 109.3° | 113.6° |
| C7 | C8 | H5 | 115.0° | 113.7° |
| C7 | C8 | H6 | 115.1° | 113.7° |
| N6 | C5 | C4 | 111.4° | 109.5° |
| N6 | C5 | H2 | 109.0° | 109.5° |
| N6 | C5 | H3 | 109.0° | 109.4° |
| C5 | N6 | H17 | 106.3° | 111.0° |
| C37 | C32 | C31 | 121.0° | 120.1° |
| C37 | C32 | C33 | 118.3° | 119.8° |
| C32 | C37 | H31 | 119.6° | 120.1° |
| C35 | C34 | C33 | 120.3° | 120.1° |
| C35 | C34 | H28 | 119.8° | 119.9° |
| C34 | C35 | H29 | 120.2° | 119.9° |
| C27 | C9 | C8 | 113.3° | 113.5° |
| C9 | C27 | H21 | 109.0° | 109.5° |
| C9 | C27 | H22 | 109.0° | 109.5° |
| C9 | C8 | H5 | 115.1° | 113.6° |
| C9 | C8 | H6 | 115.0° | 113.7° |
| C31 | C32 | C33 | 120.6° | 120.1° |
| C32 | C31 | C2 | 124.3° | 120.1° |
| C32 | C33 | C34 | 120.7° | 119.8° |
| C32 | C33 | H27 | 119.7° | 120.1° |
| C34 | C33 | H27 | 119.6° | 120.0° |
| C33 | C34 | H28 | 119.8° | 120.0° |
| C31 | C2 | C3 | 121.8° | 119.9° |
| C31 | C2 | CL1 | 120.0° | 120.1° |
| C5 | C4 | C3 | 120.7° | 119.9° |
| C4 | C5 | H2 | 109.0° | 109.5° |
| C4 | C5 | H3 | 109.0° | 109.5° |
| C4 | C3 | C2 | 120.4° | 120.1° |
| C4 | C3 | H1 | 119.8° | 119.9° |
| C3 | C2 | CL1 | 118.0° | 120.1° |
| C2 | C3 | H1 | 119.8° | 119.9° |
| H2 | C5 | H3 | 109.5° | 109.5° |
| H5 | C8 | H6 | 109.5° | 112.9° |
| H7 | C10 | H8 | 109.5° | 109.5° |
| H9 | C11 | H10 | 109.5° | 109.7° |
| H12 | C19 | H13 | 109.4° | 109.5° |
| H12 | C19 | H14 | 109.5° | 109.5° |
| H13 | C19 | H14 | 109.5° | 109.4° |
| H19 | C26 | H20 | 109.5° | 109.7° |
| H21 | C27 | H22 | 109.5° | 109.6° |
| H23 | C28 | H24 | 109.5° | 112.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C19 | C18 | S17 | N20 | 177.3° | 179.9° |
| C19 | C18 | S17 | C16 | 177.1° | 180.0° |
| C19 | C18 | N20 | C21 | 177.0° | 180.0° |
| C18 | C19 | H12 | H13 | 120.0° | 120.0° |
| C18 | C19 | H12 | H14 | 120.0° | 120.0° |
| C18 | C19 | H13 | H14 | 120.0° | 119.9° |
| S17 | C18 | N20 | C21 | 0.2° | 0.1° |
| C18 | S17 | C16 | C21 | 0.2° | 0.0° |
| C18 | S17 | C16 | C15 | 178.4° | 180.0° |
| S17 | C18 | C19 | H12 | 0.0° | 90.0° |
| S17 | C18 | C19 | H13 | 120.0° | 150.0° |
| S17 | C18 | C19 | H14 | 120.0° | 30.0° |
| N20 | C18 | S17 | C16 | 0.2° | 0.0° |
| C18 | N20 | C21 | C16 | 0.1° | 0.0° |
| C18 | N20 | C21 | C22 | 178.7° | 180.0° |
| N20 | C18 | C19 | H12 | 177.1° | 90.1° |
| N20 | C18 | C19 | H13 | 62.9° | 30.0° |
| N20 | C18 | C19 | H14 | 57.1° | 149.9° |
| S17 | C16 | C21 | N20 | 0.1° | 0.0° |
| S17 | C16 | C21 | C15 | 178.7° | 180.0° |
| S17 | C16 | C21 | C22 | 179.0° | 180.0° |
| S17 | C16 | C15 | C14 | 178.6° | 180.0° |
| S17 | C16 | C15 | H11 | 1.4° | 0.0° |
| N20 | C21 | C16 | C22 | 178.9° | 180.0° |
| N20 | C21 | C16 | C15 | 178.6° | 180.0° |
| N20 | C21 | C22 | C23 | 178.6° | 180.0° |
| N20 | C21 | C22 | H15 | 1.4° | 0.0° |
| C21 | C16 | C15 | C14 | 0.2° | 0.0° |
| C16 | C21 | C22 | C23 | 0.2° | 0.0° |
| C21 | C16 | C15 | H11 | 179.8° | 180.0° |
| C16 | C21 | C22 | H15 | 179.8° | 179.9° |
| C15 | C16 | C21 | C22 | 0.3° | 0.0° |
| C16 | C15 | C14 | H11 | 180.0° | 180.0° |
| C16 | C15 | C14 | C23 | 0.1° | 0.0° |
| C16 | C15 | C14 | S13 | 178.8° | 179.7° |
| C21 | C22 | C23 | H15 | 180.0° | 179.9° |
| C21 | C22 | C23 | C14 | 0.1° | 0.0° |
| C21 | C22 | C23 | H16 | 180.0° | 179.7° |
| C15 | C14 | C23 | C22 | 0.2° | 0.0° |
| C15 | C14 | C23 | S13 | 178.8° | 179.7° |
| C15 | C14 | S13 | O25 | 26.9° | 156.7° |
| C15 | C14 | S13 | N12 | 88.2° | 89.7° |
| C15 | C14 | S13 | O24 | 157.5° | 23.8° |
| C15 | C14 | C23 | H16 | 179.8° | 179.7° |
| C22 | C23 | C14 | H16 | 180.0° | 179.7° |
| C22 | C23 | C14 | S13 | 178.6° | 179.7° |
| C23 | C14 | S13 | O25 | 151.9° | 23.6° |
| C23 | C14 | S13 | N12 | 93.0° | 90.0° |
| C23 | C14 | S13 | O24 | 21.4° | 156.5° |
| C23 | C14 | C15 | H11 | 180.0° | 180.0° |
| C14 | C23 | C22 | H15 | 179.9° | 179.9° |
| C14 | S13 | O25 | N12 | 115.7° | 114.1° |
| C14 | S13 | O25 | O24 | 123.3° | 122.9° |
| C14 | S13 | N12 | O24 | 114.9° | 113.5° |
| C14 | S13 | N12 | C11 | 82.2° | 90.0° |
| C14 | S13 | N12 | C26 | 56.6° | 90.0° |
| S13 | C14 | C15 | H11 | 1.2° | 0.3° |
| S13 | C14 | C23 | H16 | 1.3° | 0.0° |
| O25 | S13 | N12 | O24 | 129.1° | 133.0° |
| O25 | S13 | N12 | C11 | 33.7° | 156.5° |
| O25 | S13 | N12 | C26 | 172.6° | 23.5° |
| S13 | N12 | C11 | C26 | 140.8° | 180.0° |
| S13 | N12 | C11 | C10 | 157.7° | 124.5° |
| S13 | N12 | C26 | C27 | 156.4° | 124.5° |
| S13 | N12 | C11 | H9 | 82.3° | 115.7° |
| S13 | N12 | C11 | H10 | 37.8° | 4.7° |
| S13 | N12 | C26 | H19 | 36.4° | 115.7° |
| S13 | N12 | C26 | H20 | 83.5° | 4.7° |
| O24 | S13 | N12 | C11 | 162.8° | 23.5° |
| O24 | S13 | N12 | C26 | 58.3° | 156.5° |
| N12 | C11 | C10 | H9 | 120.0° | 119.8° |
| N12 | C11 | C10 | H10 | 120.0° | 119.8° |
| C11 | N12 | C26 | C27 | 61.7° | 55.5° |
| N12 | C11 | C10 | C9 | 56.9° | 52.6° |
| N12 | C11 | C10 | H7 | 177.3° | 172.4° |
| N12 | C11 | C10 | H8 | 63.4° | 67.4° |
| N12 | C11 | H9 | H10 | 120.1° | 120.3° |
| C11 | N12 | C26 | H19 | 178.3° | 64.3° |
| C11 | N12 | C26 | H20 | 58.3° | 175.3° |
| C11 | C10 | C9 | C28 | 78.3° | 171.1° |
| C10 | C11 | N12 | C26 | 61.5° | 55.5° |
| C11 | C10 | C9 | H7 | 120.3° | 119.9° |
| C11 | C10 | C9 | H8 | 120.3° | 120.0° |
| C11 | C10 | C9 | C27 | 53.0° | 57.8° |
| C11 | C10 | C9 | C8 | 178.0° | 73.3° |
| C11 | C10 | H7 | H8 | 119.0° | 120.2° |
| C10 | C11 | H9 | H10 | 120.0° | 120.4° |
| C7 | C28 | C9 | H23 | 115.5° | 114.6° |
| C7 | C28 | C9 | H24 | 115.5° | 114.5° |
| C7 | C28 | C9 | C10 | 91.6° | 139.8° |
| C28 | C7 | N6 | C8 | 107.8° | 97.6° |
| C28 | C7 | N6 | H4 | 124.6° | 131.3° |
| C28 | C7 | C8 | H4 | 110.1° | 114.7° |
| C28 | C7 | N6 | C5 | 110.9° | 107.4° |
| C7 | C28 | C9 | C27 | 139.7° | 89.4° |
| C7 | C28 | C9 | C8 | 24.9° | 25.2° |
| C28 | C7 | C8 | H5 | 90.1° | 139.6° |
| C28 | C7 | C8 | H6 | 141.3° | 89.4° |
| C28 | C7 | N6 | H17 | 10.8° | 128.5° |
| C7 | C28 | H23 | H24 | 131.8° | 131.3° |
| C28 | C9 | C27 | C26 | 78.3° | 171.1° |
| C28 | C9 | C10 | C27 | 131.3° | 131.1° |
| C28 | C9 | C10 | C8 | 99.7° | 97.8° |
| C9 | C28 | C7 | N6 | 150.5° | 89.4° |
| C28 | C9 | C27 | C8 | 99.0° | 97.8° |
| C9 | C28 | C7 | H4 | 84.7° | 139.8° |
| C28 | C9 | C8 | H5 | 90.2° | 139.8° |
| C28 | C9 | C8 | H6 | 141.1° | 89.3° |
| C28 | C9 | C10 | H7 | 42.0° | 51.2° |
| C28 | C9 | C10 | H8 | 161.4° | 69.0° |
| C28 | C9 | C27 | H21 | 161.4° | 68.9° |
| C28 | C9 | C27 | H22 | 42.0° | 51.2° |
| C9 | C28 | H23 | H24 | 131.8° | 131.3° |
| N12 | C26 | C27 | H19 | 120.0° | 119.8° |
| N12 | C26 | C27 | H20 | 120.0° | 119.8° |
| N12 | C26 | C27 | C9 | 57.1° | 52.6° |
| C26 | N12 | C11 | H9 | 58.5° | 64.3° |
| C26 | N12 | C11 | H10 | 178.6° | 175.3° |
| N12 | C26 | H19 | H20 | 119.9° | 120.4° |
| N12 | C26 | C27 | H21 | 63.2° | 67.4° |
| N12 | C26 | C27 | H22 | 177.4° | 172.4° |
| C26 | C27 | C9 | C10 | 52.9° | 57.8° |
| C26 | C27 | C9 | H21 | 120.3° | 120.0° |
| C26 | C27 | C9 | H22 | 120.3° | 119.9° |
| C26 | C27 | C9 | C8 | 177.3° | 73.3° |
| C27 | C26 | H19 | H20 | 119.9° | 120.3° |
| C26 | C27 | H21 | H22 | 119.1° | 120.2° |
| C10 | C9 | C8 | C7 | 91.1° | 139.8° |
| C10 | C9 | C27 | C8 | 129.8° | 131.1° |
| C10 | C9 | C8 | H5 | 153.3° | 105.6° |
| C10 | C9 | C8 | H6 | 24.6° | 25.2° |
| C9 | C10 | H7 | H8 | 119.1° | 120.2° |
| C9 | C10 | C11 | H9 | 63.0° | 67.3° |
| C9 | C10 | C11 | H10 | 176.9° | 172.3° |
| C10 | C9 | C27 | H21 | 67.3° | 62.2° |
| C10 | C9 | C27 | H22 | 173.2° | 177.7° |
| C10 | C9 | C28 | H23 | 23.9° | 25.2° |
| C10 | C9 | C28 | H24 | 152.9° | 105.7° |
| C29 | C30 | C31 | H26 | 180.0° | 179.8° |
| C30 | C29 | C4 | H25 | 180.0° | 180.0° |
| C29 | C30 | C31 | C32 | 170.0° | 180.0° |
| C29 | C30 | C31 | C2 | 1.1° | 0.5° |
| C30 | C29 | C4 | C5 | 176.9° | 179.9° |
| C30 | C29 | C4 | C3 | 0.1° | 0.0° |
| C31 | C30 | C29 | C4 | 0.4° | 0.2° |
| C30 | C31 | C32 | C37 | 64.3° | 50.2° |
| C30 | C31 | C32 | C2 | 170.4° | 179.5° |
| C30 | C31 | C32 | C33 | 111.5° | 130.0° |
| C30 | C31 | C2 | C3 | 1.4° | 0.5° |
| C30 | C31 | C2 | CL1 | 173.7° | 179.7° |
| C31 | C30 | C29 | H25 | 179.6° | 179.8° |
| C37 | C36 | C35 | H30 | 180.0° | 179.5° |
| C36 | C37 | C32 | H31 | 180.0° | 179.4° |
| C37 | C36 | C35 | C34 | 0.1° | 0.3° |
| C36 | C37 | C32 | C31 | 175.8° | 179.7° |
| C36 | C37 | C32 | C33 | 0.1° | 0.6° |
| C37 | C36 | C35 | H29 | 179.9° | 179.7° |
| C35 | C36 | C37 | C32 | 0.1° | 0.6° |
| C36 | C35 | C34 | H29 | 180.0° | 179.9° |
| C36 | C35 | C34 | C33 | 0.1° | 0.1° |
| C36 | C35 | C34 | H28 | 179.9° | 180.0° |
| C35 | C36 | C37 | H31 | 179.9° | 180.0° |
| C29 | C4 | C5 | N6 | 16.1° | 90.0° |
| C29 | C4 | C5 | C3 | 177.0° | 179.9° |
| C29 | C4 | C3 | C2 | 0.1° | 0.0° |
| C29 | C4 | C3 | H1 | 179.9° | 180.0° |
| C29 | C4 | C5 | H2 | 136.4° | 30.0° |
| C29 | C4 | C5 | H3 | 104.2° | 150.0° |
| C4 | C29 | C30 | H26 | 179.6° | 180.0° |
| N6 | C7 | C8 | H4 | 127.5° | 130.7° |
| C7 | N6 | C5 | H17 | 121.7° | 124.0° |
| N6 | C7 | C8 | C9 | 148.1° | 89.4° |
| C7 | N6 | C5 | C4 | 162.5° | 180.0° |
| C7 | N6 | C5 | H2 | 42.2° | 60.0° |
| C7 | N6 | C5 | H3 | 77.2° | 60.0° |
| N6 | C7 | C8 | H5 | 32.4° | 25.1° |
| N6 | C7 | C8 | H6 | 96.3° | 156.0° |
| N6 | C7 | C28 | H23 | 93.9° | 156.0° |
| N6 | C7 | C28 | H24 | 35.1° | 25.1° |
| C8 | C7 | N6 | C5 | 3.0° | 155.0° |
| C7 | C8 | C9 | C27 | 141.8° | 89.4° |
| C7 | C8 | C9 | H5 | 115.6° | 114.6° |
| C7 | C8 | C9 | H6 | 115.7° | 114.6° |
| C7 | C8 | H5 | H6 | 131.4° | 131.3° |
| C8 | C7 | N6 | H17 | 118.6° | 31.0° |
| C8 | C7 | C28 | H23 | 141.3° | 89.4° |
| C8 | C7 | C28 | H24 | 89.7° | 139.7° |
| N6 | C5 | C4 | H2 | 120.3° | 120.0° |
| N6 | C5 | C4 | H3 | 120.3° | 120.0° |
| N6 | C5 | C4 | C3 | 166.9° | 90.1° |
| N6 | C5 | H2 | H3 | 119.1° | 120.0° |
| C5 | N6 | C7 | H4 | 124.5° | 23.8° |
| C37 | C32 | C31 | C33 | 175.8° | 179.7° |
| C37 | C32 | C33 | C34 | 0.1° | 0.3° |
| C37 | C32 | C31 | C2 | 125.3° | 130.2° |
| C37 | C32 | C33 | H27 | 179.9° | 179.7° |
| C32 | C37 | C36 | H30 | 179.9° | 179.9° |
| C35 | C34 | C33 | C32 | 0.1° | 0.0° |
| C35 | C34 | C33 | H28 | 180.0° | 180.0° |
| C35 | C34 | C33 | H27 | 179.9° | 179.9° |
| C34 | C35 | C36 | H30 | 179.9° | 179.8° |
| C27 | C9 | C8 | H5 | 26.2° | 25.2° |
| C27 | C9 | C8 | H6 | 102.5° | 156.0° |
| C27 | C9 | C10 | H7 | 173.3° | 177.6° |
| C27 | C9 | C10 | H8 | 67.3° | 62.2° |
| C9 | C27 | C26 | H19 | 177.1° | 67.2° |
| C9 | C27 | C26 | H20 | 63.0° | 172.4° |
| C9 | C27 | H21 | H22 | 119.2° | 120.1° |
| C27 | C9 | C28 | H23 | 104.8° | 156.1° |
| C27 | C9 | C28 | H24 | 24.2° | 25.2° |
| C9 | C8 | C7 | H4 | 84.4° | 139.9° |
| C9 | C8 | H5 | H6 | 131.4° | 131.3° |
| C8 | C9 | C10 | H7 | 57.8° | 46.6° |
| C8 | C9 | C10 | H8 | 61.7° | 166.7° |
| C8 | C9 | C27 | H21 | 62.5° | 166.8° |
| C8 | C9 | C27 | H22 | 57.0° | 46.6° |
| C8 | C9 | C28 | H23 | 140.4° | 89.3° |
| C8 | C9 | C28 | H24 | 90.6° | 139.8° |
| C31 | C32 | C33 | C34 | 175.9° | 180.0° |
| C32 | C31 | C2 | C3 | 169.0° | 180.0° |
| C32 | C31 | C2 | CL1 | 15.9° | 0.2° |
| C32 | C31 | C30 | H26 | 10.0° | 0.2° |
| C31 | C32 | C33 | H27 | 4.2° | 0.1° |
| C31 | C32 | C37 | H31 | 4.1° | 0.3° |
| C32 | C33 | C34 | H27 | 180.0° | 179.9° |
| C33 | C32 | C31 | C2 | 58.9° | 49.5° |
| C32 | C33 | C34 | H28 | 179.9° | 180.0° |
| C33 | C32 | C37 | H31 | 179.9° | 180.0° |
| C33 | C34 | C35 | H29 | 179.9° | 180.0° |
| C31 | C2 | C3 | C4 | 0.9° | 0.3° |
| C31 | C2 | C3 | CL1 | 175.2° | 179.8° |
| C31 | C2 | C3 | H1 | 179.1° | 179.7° |
| C2 | C31 | C30 | H26 | 178.9° | 179.7° |
| C5 | C4 | C3 | C2 | 177.2° | 180.0° |
| C5 | C4 | C3 | H1 | 2.8° | 0.1° |
| C4 | C5 | H2 | H3 | 119.1° | 120.1° |
| C4 | C5 | N6 | H17 | 75.8° | 56.0° |
| C5 | C4 | C29 | H25 | 3.1° | 0.1° |
| C4 | C3 | C2 | H1 | 180.0° | 180.0° |
| C4 | C3 | C2 | CL1 | 174.3° | 179.9° |
| C3 | C4 | C5 | H2 | 46.6° | 150.0° |
| C3 | C4 | C5 | H3 | 72.8° | 29.9° |
| C3 | C4 | C29 | H25 | 179.9° | 180.0° |
| CL1 | C2 | C3 | H1 | 5.7° | 0.0° |
| H2 | C5 | N6 | H17 | 163.9° | 64.0° |
| H3 | C5 | N6 | H17 | 44.5° | 176.0° |
| H4 | C7 | C8 | H5 | 159.9° | 105.7° |
| H4 | C7 | C8 | H6 | 31.2° | 25.2° |
| H4 | C7 | N6 | H17 | 113.8° | 100.2° |
| H4 | C7 | C28 | H23 | 30.8° | 25.2° |
| H4 | C7 | C28 | H24 | 159.8° | 105.7° |
| H7 | C10 | C11 | H9 | 57.3° | 52.6° |
| H7 | C10 | C11 | H10 | 62.8° | 67.8° |
| H8 | C10 | C11 | H9 | 176.7° | 172.8° |
| H8 | C10 | C11 | H10 | 56.6° | 52.4° |
| H12 | C19 | H13 | H14 | 120.0° | 120.0° |
| H15 | C22 | C23 | H16 | 0.0° | 0.3° |
| H19 | C26 | C27 | H21 | 56.8° | 172.8° |
| H19 | C26 | C27 | H22 | 62.6° | 52.6° |
| H20 | C26 | C27 | H21 | 176.8° | 52.4° |
| H20 | C26 | C27 | H22 | 57.3° | 67.8° |
| H25 | C29 | C30 | H26 | 0.4° | 0.1° |
| H27 | C33 | C34 | H28 | 0.1° | 0.0° |
| H28 | C34 | C35 | H29 | 0.1° | 0.0° |
| H29 | C35 | C36 | H30 | 0.1° | 0.2° |
| H30 | C36 | C37 | H31 | 0.1° | 0.5° |
