A1H6I
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | C2 | sing | 1.74Å | 1.74Å | |
| C3 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C30 | sing | 1.40Å | 1.41Å | Aromatic |
| C5 | C4 | sing | 1.51Å | 1.50Å | |
| C5 | N6 | sing | 1.47Å | 1.49Å | |
| C8 | C9 | sing | 1.53Å | 1.51Å | |
| C8 | C7 | sing | 1.53Å | 1.51Å | |
| C4 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C9 | sing | 1.53Å | 1.52Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C32 | C33 | doub | 1.38Å | 1.38Å | Aromatic |
| C32 | C31 | sing | 1.39Å | 1.40Å | Aromatic |
| N6 | C7 | sing | 1.47Å | 1.48Å | |
| C30 | C31 | sing | 1.48Å | 1.49Å | |
| C30 | C29 | doub | 1.39Å | 1.39Å | Aromatic |
| C33 | C34 | sing | 1.38Å | 1.38Å | Aromatic |
| C31 | C36 | doub | 1.39Å | 1.40Å | Aromatic |
| C9 | C27 | sing | 1.53Å | 1.52Å | |
| O25 | S13 | doub | 1.42Å | 1.43Å | |
| C27 | C26 | sing | 1.53Å | 1.53Å | |
| C11 | N12 | sing | 1.47Å | 1.47Å | |
| C34 | C35 | doub | 1.38Å | 1.38Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
| N12 | S13 | sing | 1.66Å | 1.64Å | |
| N12 | C26 | sing | 1.47Å | 1.48Å | |
| C36 | C35 | sing | 1.38Å | 1.39Å | Aromatic |
| S13 | O24 | doub | 1.42Å | 1.43Å | |
| S13 | C14 | sing | 1.76Å | 1.77Å | |
| C14 | C23 | doub | 1.39Å | 1.40Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | C22 | sing | 1.36Å | 1.39Å | Aromatic |
| C15 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| C22 | C21 | doub | 1.41Å | 1.39Å | Aromatic |
| C16 | C21 | sing | 1.40Å | 1.40Å | Aromatic |
| C16 | S17 | sing | 1.76Å | 1.73Å | Aromatic |
| C21 | N20 | sing | 1.35Å | 1.40Å | Aromatic |
| N20 | C18 | doub | 1.28Å | 1.29Å | Aromatic |
| S17 | C18 | sing | 1.71Å | 1.75Å | Aromatic |
| C18 | C19 | sing | 1.51Å | 1.48Å | |
| C5 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | 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 | |
| C15 | H9 | sing | 1.08Å | 1.08Å | |
| C22 | H10 | sing | 1.08Å | 1.08Å | |
| C26 | H11 | sing | 1.09Å | 1.10Å | |
| C26 | H12 | sing | 1.09Å | 1.10Å | |
| C3 | H13 | sing | 1.08Å | 1.08Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C23 | H17 | sing | 1.08Å | 1.08Å | |
| N6 | H18 | sing | 1.01Å | 1.00Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| C19 | H22 | sing | 1.09Å | 1.10Å | |
| C27 | H23 | sing | 1.09Å | 1.10Å | |
| C27 | H24 | sing | 1.09Å | 1.10Å | |
| C28 | H25 | sing | 1.08Å | 1.08Å | |
| C29 | H26 | sing | 1.08Å | 1.08Å | |
| C32 | H27 | sing | 1.08Å | 1.08Å | |
| C33 | H28 | sing | 1.08Å | 1.08Å | |
| C34 | H29 | sing | 1.08Å | 1.08Å | |
| C35 | H30 | sing | 1.08Å | 1.08Å | |
| C36 | H31 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C2 | C3 | 117.0° | 120.1° |
| CL1 | C2 | C30 | 121.1° | 120.1° |
| C2 | C3 | C4 | 120.5° | 120.1° |
| C3 | C2 | C30 | 121.7° | 119.8° |
| C2 | C3 | H13 | 119.8° | 119.9° |
| C3 | C4 | C5 | 120.1° | 119.9° |
| C3 | C4 | C28 | 118.4° | 120.3° |
| C4 | C3 | H13 | 119.8° | 120.0° |
| C2 | C30 | C31 | 124.5° | 120.1° |
| C2 | C30 | C29 | 117.3° | 119.7° |
| C4 | C5 | N6 | 112.3° | 109.5° |
| C5 | C4 | C28 | 120.8° | 119.8° |
| C4 | C5 | H1 | 108.8° | 109.4° |
| C4 | C5 | H2 | 108.7° | 109.5° |
| C5 | N6 | C7 | 113.4° | 111.0° |
| N6 | C5 | H1 | 108.8° | 109.4° |
| N6 | C5 | H2 | 108.8° | 109.5° |
| C5 | N6 | H18 | 108.5° | 111.0° |
| C9 | C8 | C7 | 108.7° | 109.5° |
| C8 | C9 | C10 | 111.9° | 109.5° |
| C8 | C9 | C27 | 111.6° | 109.5° |
| C9 | C8 | H5 | 109.7° | 109.5° |
| C9 | C8 | H6 | 109.6° | 109.5° |
| C8 | C9 | H14 | 108.0° | 109.5° |
| C8 | C7 | N6 | 110.6° | 109.5° |
| C8 | C7 | H3 | 109.2° | 109.4° |
| C8 | C7 | H4 | 109.2° | 109.4° |
| C7 | C8 | H5 | 109.7° | 109.5° |
| C7 | C8 | H6 | 109.7° | 109.5° |
| C4 | C28 | C29 | 121.4° | 120.2° |
| C4 | C28 | H25 | 119.3° | 119.9° |
| C9 | C10 | C11 | 108.6° | 109.3° |
| C10 | C9 | C27 | 109.4° | 109.5° |
| C9 | C10 | H7 | 109.7° | 109.5° |
| C9 | C10 | H8 | 109.7° | 109.4° |
| C10 | C9 | H14 | 107.9° | 109.4° |
| C10 | C11 | N12 | 108.6° | 108.8° |
| C11 | C10 | H7 | 109.7° | 109.5° |
| C11 | C10 | H8 | 109.7° | 109.5° |
| C10 | C11 | H15 | 109.7° | 109.6° |
| C10 | C11 | H16 | 109.7° | 109.6° |
| C33 | C32 | C31 | 120.7° | 119.9° |
| C32 | C33 | C34 | 120.3° | 120.1° |
| C33 | C32 | H27 | 119.7° | 120.1° |
| C32 | C33 | H28 | 119.8° | 119.9° |
| C32 | C31 | C30 | 121.2° | 120.1° |
| C32 | C31 | C36 | 118.1° | 119.7° |
| C31 | C32 | H27 | 119.6° | 120.1° |
| N6 | C7 | H3 | 109.2° | 109.5° |
| N6 | C7 | H4 | 109.2° | 109.5° |
| C7 | N6 | H18 | 108.5° | 111.0° |
| C31 | C30 | C29 | 118.2° | 120.2° |
| C30 | C31 | C36 | 120.7° | 120.1° |
| C30 | C29 | C28 | 120.7° | 119.9° |
| C30 | C29 | H26 | 119.6° | 120.0° |
| C33 | C34 | C35 | 119.8° | 120.3° |
| C34 | C33 | H28 | 119.9° | 120.0° |
| C33 | C34 | H29 | 120.1° | 119.9° |
| C31 | C36 | C35 | 120.7° | 119.9° |
| C31 | C36 | H31 | 119.7° | 120.1° |
| C9 | C27 | C26 | 107.7° | 109.3° |
| C27 | C9 | H14 | 107.9° | 109.5° |
| C9 | C27 | H23 | 109.9° | 109.4° |
| C9 | C27 | H24 | 109.9° | 109.5° |
| O25 | S13 | N12 | 106.3° | 106.4° |
| O25 | S13 | O24 | 119.8° | 123.1° |
| O25 | S13 | C14 | 108.2° | 106.4° |
| C27 | C26 | N12 | 109.2° | 108.7° |
| C27 | C26 | H11 | 109.5° | 109.6° |
| C27 | C26 | H12 | 109.6° | 109.7° |
| C26 | C27 | H23 | 109.9° | 109.5° |
| C26 | C27 | H24 | 109.9° | 109.5° |
| C11 | N12 | S13 | 116.6° | 120.6° |
| C11 | N12 | C26 | 112.3° | 118.7° |
| N12 | C11 | H15 | 109.7° | 109.6° |
| N12 | C11 | H16 | 109.7° | 109.6° |
| C34 | C35 | C36 | 120.3° | 120.1° |
| C35 | C34 | H29 | 120.1° | 119.8° |
| C34 | C35 | H30 | 119.9° | 120.0° |
| C29 | C28 | H25 | 119.3° | 119.9° |
| C28 | C29 | H26 | 119.6° | 120.1° |
| S13 | N12 | C26 | 118.2° | 120.6° |
| N12 | S13 | O24 | 107.1° | 106.4° |
| N12 | S13 | C14 | 106.8° | 107.3° |
| N12 | C26 | H11 | 109.5° | 109.6° |
| N12 | C26 | H12 | 109.5° | 109.6° |
| C36 | C35 | H30 | 119.8° | 119.9° |
| C35 | C36 | H31 | 119.6° | 120.0° |
| O24 | S13 | C14 | 108.1° | 106.4° |
| S13 | C14 | C23 | 119.4° | 119.9° |
| S13 | C14 | C15 | 119.3° | 119.9° |
| C23 | C14 | C15 | 121.2° | 120.1° |
| C14 | C23 | C22 | 119.9° | 120.8° |
| C14 | C23 | H17 | 120.1° | 119.6° |
| C14 | C15 | C16 | 118.0° | 119.9° |
| C14 | C15 | H9 | 121.0° | 120.0° |
| C23 | C22 | C21 | 119.9° | 120.4° |
| C23 | C22 | H10 | 120.0° | 119.8° |
| C22 | C23 | H17 | 120.1° | 119.6° |
| C15 | C16 | C21 | 121.7° | 120.3° |
| C15 | C16 | S17 | 128.9° | 131.7° |
| C16 | C15 | H9 | 121.0° | 120.0° |
| C22 | C21 | C16 | 119.3° | 118.5° |
| C22 | C21 | N20 | 125.6° | 129.7° |
| C21 | C22 | H10 | 120.1° | 119.8° |
| C21 | C16 | S17 | 109.3° | 108.0° |
| C16 | C21 | N20 | 115.1° | 111.8° |
| C16 | S17 | C18 | 89.2° | 90.8° |
| C21 | N20 | C18 | 110.5° | 117.9° |
| N20 | C18 | S17 | 115.9° | 111.5° |
| N20 | C18 | C19 | 123.8° | 124.2° |
| S17 | C18 | C19 | 120.0° | 124.3° |
| C18 | C19 | H20 | 109.5° | 109.5° |
| C18 | C19 | H21 | 109.4° | 109.5° |
| C18 | C19 | H22 | 109.5° | 109.4° |
| H1 | C5 | H2 | 109.5° | 109.5° |
| H3 | C7 | H4 | 109.5° | 109.4° |
| H5 | C8 | H6 | 109.5° | 109.5° |
| H7 | C10 | H8 | 109.5° | 109.5° |
| H11 | C26 | H12 | 109.5° | 109.6° |
| H15 | C11 | H16 | 109.4° | 109.7° |
| H20 | C19 | H21 | 109.5° | 109.5° |
| H20 | C19 | H22 | 109.5° | 109.4° |
| H21 | C19 | H22 | 109.5° | 109.4° |
| H23 | C27 | H24 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | C2 | C3 | C30 | 174.5° | 180.0° |
| CL1 | C2 | C3 | C4 | 173.5° | 179.6° |
| CL1 | C2 | C30 | C31 | 5.5° | 0.0° |
| CL1 | C2 | C30 | C29 | 173.7° | 179.3° |
| CL1 | C2 | C3 | H13 | 6.6° | 0.5° |
| C2 | C3 | C4 | H13 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 169.5° | 179.8° |
| C2 | C3 | C4 | C28 | 1.2° | 0.1° |
| C3 | C2 | C30 | C31 | 179.8° | 180.0° |
| C3 | C2 | C30 | C29 | 0.5° | 0.7° |
| C4 | C3 | C2 | C30 | 1.0° | 0.4° |
| C3 | C4 | C5 | C28 | 170.4° | 179.7° |
| C3 | C4 | C5 | N6 | 112.2° | 89.7° |
| C3 | C4 | C28 | C29 | 0.9° | 0.3° |
| C3 | C4 | C5 | H1 | 8.2° | 30.3° |
| C3 | C4 | C5 | H2 | 127.3° | 150.3° |
| C3 | C4 | C28 | H25 | 179.1° | 179.7° |
| C2 | C30 | C31 | C32 | 41.2° | 49.8° |
| C2 | C30 | C31 | C29 | 179.3° | 179.3° |
| C2 | C30 | C31 | C36 | 138.7° | 130.0° |
| C2 | C30 | C29 | C28 | 0.3° | 0.5° |
| C30 | C2 | C3 | H13 | 179.0° | 179.5° |
| C2 | C30 | C29 | H26 | 179.7° | 179.5° |
| C4 | C5 | N6 | H1 | 120.4° | 119.9° |
| C4 | C5 | N6 | H2 | 120.4° | 120.0° |
| C4 | C5 | N6 | C7 | 146.3° | 180.0° |
| C5 | C4 | C28 | C29 | 169.7° | 179.9° |
| C4 | C5 | H1 | H2 | 118.7° | 120.0° |
| C5 | C4 | C3 | H13 | 10.5° | 0.3° |
| C4 | C5 | N6 | H18 | 25.7° | 56.1° |
| C5 | C4 | C28 | H25 | 10.3° | 0.0° |
| C5 | N6 | C7 | C8 | 105.4° | 180.0° |
| N6 | C5 | C4 | C28 | 77.3° | 90.0° |
| C5 | N6 | C7 | H18 | 120.6° | 123.9° |
| N6 | C5 | H1 | H2 | 118.7° | 120.0° |
| C5 | N6 | C7 | H3 | 134.4° | 60.0° |
| C5 | N6 | C7 | H4 | 14.8° | 60.0° |
| C9 | C8 | C7 | H5 | 119.9° | 120.0° |
| C9 | C8 | C7 | H6 | 119.8° | 120.0° |
| C8 | C9 | C10 | C27 | 124.3° | 120.0° |
| C8 | C9 | C10 | H14 | 118.7° | 120.0° |
| C8 | C9 | C10 | C11 | 174.3° | 178.6° |
| C9 | C8 | C7 | N6 | 133.3° | 180.0° |
| C8 | C9 | C27 | H14 | 118.5° | 120.0° |
| C8 | C9 | C27 | C26 | 174.9° | 178.6° |
| C9 | C8 | C7 | H3 | 13.1° | 60.0° |
| C9 | C8 | C7 | H4 | 106.5° | 59.9° |
| C9 | C8 | H5 | H6 | 120.4° | 120.0° |
| C8 | C9 | C10 | H7 | 54.5° | 58.6° |
| C8 | C9 | C10 | H8 | 65.8° | 61.4° |
| C8 | C9 | C27 | H23 | 65.4° | 58.7° |
| C8 | C9 | C27 | H24 | 55.2° | 61.4° |
| C7 | C8 | C9 | C10 | 141.0° | 175.0° |
| C8 | C7 | N6 | H3 | 120.2° | 120.0° |
| C8 | C7 | N6 | H4 | 120.2° | 120.0° |
| C7 | C8 | C9 | C27 | 96.0° | 65.0° |
| C8 | C7 | H3 | H4 | 119.5° | 119.9° |
| C7 | C8 | H5 | H6 | 120.4° | 120.0° |
| C7 | C8 | C9 | H14 | 22.4° | 55.1° |
| C8 | C7 | N6 | H18 | 134.0° | 56.1° |
| C4 | C28 | C29 | C30 | 0.5° | 0.0° |
| C4 | C28 | C29 | H25 | 180.0° | 180.0° |
| C28 | C4 | C5 | H1 | 162.3° | 150.0° |
| C28 | C4 | C5 | H2 | 43.1° | 30.0° |
| C28 | C4 | C3 | H13 | 178.8° | 180.0° |
| C4 | C28 | C29 | H26 | 179.5° | 179.9° |
| C9 | C10 | C11 | H7 | 119.9° | 120.0° |
| C9 | C10 | C11 | H8 | 119.9° | 119.9° |
| C10 | C9 | C27 | H14 | 117.1° | 120.0° |
| C10 | C9 | C27 | C26 | 60.7° | 61.4° |
| C9 | C10 | C11 | N12 | 59.6° | 54.6° |
| C10 | C9 | C8 | H5 | 99.1° | 55.0° |
| C10 | C9 | C8 | H6 | 21.2° | 65.0° |
| C9 | C10 | H7 | H8 | 120.4° | 120.0° |
| C9 | C10 | C11 | H15 | 60.2° | 65.1° |
| C9 | C10 | C11 | H16 | 179.5° | 174.4° |
| C10 | C9 | C27 | H23 | 59.0° | 178.7° |
| C10 | C9 | C27 | H24 | 179.6° | 58.6° |
| C11 | C10 | C9 | C27 | 61.4° | 61.4° |
| C10 | C11 | N12 | H15 | 119.9° | 119.8° |
| C10 | C11 | N12 | H16 | 119.9° | 119.8° |
| C10 | C11 | N12 | S13 | 158.4° | 126.4° |
| C10 | C11 | N12 | C26 | 60.6° | 53.6° |
| C11 | C10 | H7 | H8 | 120.4° | 120.1° |
| C11 | C10 | C9 | H14 | 55.7° | 58.6° |
| C10 | C11 | H15 | H16 | 120.4° | 120.4° |
| C33 | C32 | C31 | H27 | 180.0° | 180.0° |
| C33 | C32 | C31 | C30 | 180.0° | 180.0° |
| C32 | C33 | C34 | H28 | 180.0° | 179.9° |
| C33 | C32 | C31 | C36 | 0.1° | 0.2° |
| C32 | C33 | C34 | C35 | 0.0° | 0.1° |
| C32 | C33 | C34 | H29 | 180.0° | 180.0° |
| C32 | C31 | C30 | C36 | 179.9° | 179.8° |
| C32 | C31 | C30 | C29 | 139.5° | 131.0° |
| C31 | C32 | C33 | C34 | 0.0° | 0.1° |
| C32 | C31 | C36 | C35 | 0.1° | 0.5° |
| C31 | C32 | C33 | H28 | 180.0° | 180.0° |
| C32 | C31 | C36 | H31 | 179.9° | 179.7° |
| C7 | N6 | C5 | H1 | 93.2° | 60.0° |
| C7 | N6 | C5 | H2 | 25.9° | 60.0° |
| N6 | C7 | H3 | H4 | 119.4° | 120.1° |
| N6 | C7 | C8 | H5 | 106.8° | 60.0° |
| N6 | C7 | C8 | H6 | 13.4° | 60.0° |
| C31 | C30 | C29 | C28 | 179.6° | 179.8° |
| C30 | C31 | C36 | C35 | 180.0° | 179.7° |
| C31 | C30 | C29 | H26 | 0.4° | 0.2° |
| C30 | C31 | C32 | H27 | 0.0° | 0.0° |
| C30 | C31 | C36 | H31 | 0.0° | 0.1° |
| C29 | C30 | C31 | C36 | 40.6° | 49.3° |
| C30 | C29 | C28 | H26 | 180.0° | 180.0° |
| C30 | C29 | C28 | H25 | 179.5° | 180.0° |
| C33 | C34 | C35 | H29 | 180.0° | 180.0° |
| C33 | C34 | C35 | C36 | 0.0° | 0.2° |
| C34 | C33 | C32 | H27 | 180.0° | 179.9° |
| C33 | C34 | C35 | H30 | 180.0° | 180.0° |
| C31 | C36 | C35 | C34 | 0.0° | 0.5° |
| C31 | C36 | C35 | H31 | 180.0° | 179.8° |
| C36 | C31 | C32 | H27 | 179.9° | 179.8° |
| C31 | C36 | C35 | H30 | 180.0° | 179.7° |
| C9 | C27 | C26 | H23 | 119.7° | 119.9° |
| C9 | C27 | C26 | H24 | 119.7° | 120.0° |
| C9 | C27 | C26 | N12 | 59.3° | 54.7° |
| C27 | C9 | C8 | H5 | 23.9° | 175.0° |
| C27 | C9 | C8 | H6 | 144.2° | 55.0° |
| C27 | C9 | C10 | H7 | 178.7° | 178.6° |
| C27 | C9 | C10 | H8 | 58.4° | 58.6° |
| C9 | C27 | C26 | H11 | 179.2° | 65.1° |
| C9 | C27 | C26 | H12 | 60.7° | 174.6° |
| C9 | C27 | H23 | H24 | 120.8° | 120.1° |
| O25 | S13 | N12 | C11 | 54.8° | 156.4° |
| O25 | S13 | N12 | O24 | 129.1° | 132.9° |
| O25 | S13 | N12 | C14 | 115.3° | 113.5° |
| O25 | S13 | N12 | C26 | 166.6° | 23.6° |
| O25 | S13 | O24 | C14 | 124.4° | 122.9° |
| O25 | S13 | C14 | C23 | 23.3° | 23.6° |
| O25 | S13 | C14 | C15 | 157.2° | 156.5° |
| C27 | C26 | N12 | C11 | 60.8° | 53.7° |
| C27 | C26 | N12 | S13 | 158.9° | 126.4° |
| C27 | C26 | N12 | H11 | 119.9° | 119.8° |
| C27 | C26 | N12 | H12 | 120.0° | 119.9° |
| C27 | C26 | H11 | H12 | 120.1° | 120.4° |
| C26 | C27 | C9 | H14 | 56.4° | 58.6° |
| C26 | C27 | H23 | H24 | 120.8° | 120.1° |
| C11 | N12 | S13 | C26 | 138.6° | 180.0° |
| C11 | N12 | S13 | O24 | 176.1° | 23.6° |
| C11 | N12 | S13 | C14 | 60.5° | 90.0° |
| N12 | C11 | C10 | H7 | 179.5° | 174.6° |
| N12 | C11 | C10 | H8 | 60.2° | 65.3° |
| C11 | N12 | C26 | H11 | 179.2° | 66.1° |
| C11 | N12 | C26 | H12 | 59.1° | 173.5° |
| N12 | C11 | H15 | H16 | 120.4° | 120.3° |
| C34 | C35 | C36 | H30 | 180.0° | 179.8° |
| C35 | C34 | C33 | H28 | 180.0° | 180.0° |
| C34 | C35 | C36 | H31 | 180.0° | 179.7° |
| N12 | S13 | O24 | C14 | 114.7° | 114.2° |
| N12 | S13 | C14 | C23 | 90.8° | 90.0° |
| N12 | S13 | C14 | C15 | 88.7° | 90.0° |
| S13 | N12 | C26 | H11 | 39.0° | 113.9° |
| S13 | N12 | C26 | H12 | 81.1° | 6.5° |
| S13 | N12 | C11 | H15 | 81.7° | 113.9° |
| S13 | N12 | C11 | H16 | 38.6° | 6.6° |
| C26 | N12 | S13 | O24 | 37.5° | 156.4° |
| C26 | N12 | S13 | C14 | 78.0° | 90.0° |
| N12 | C26 | H11 | H12 | 120.1° | 120.4° |
| C26 | N12 | C11 | H15 | 59.3° | 66.1° |
| C26 | N12 | C11 | H16 | 179.5° | 173.4° |
| N12 | C26 | C27 | H23 | 60.4° | 174.6° |
| N12 | C26 | C27 | H24 | 179.0° | 65.3° |
| C36 | C35 | C34 | H29 | 180.0° | 179.7° |
| O24 | S13 | C14 | C23 | 154.4° | 156.5° |
| O24 | S13 | C14 | C15 | 26.1° | 23.6° |
| S13 | C14 | C23 | C15 | 179.5° | 179.9° |
| S13 | C14 | C23 | C22 | 179.5° | 179.9° |
| S13 | C14 | C15 | C16 | 179.5° | 179.9° |
| S13 | C14 | C15 | H9 | 0.5° | 0.3° |
| S13 | C14 | C23 | H17 | 0.5° | 0.1° |
| C14 | C23 | C22 | H17 | 180.0° | 180.0° |
| C23 | C14 | C15 | C16 | 0.0° | 0.0° |
| C14 | C23 | C22 | C21 | 0.2° | 0.2° |
| C23 | C14 | C15 | H9 | 180.0° | 179.7° |
| C14 | C23 | C22 | H10 | 179.8° | 179.8° |
| C15 | C14 | C23 | C22 | 0.0° | 0.0° |
| C14 | C15 | C16 | H9 | 180.0° | 179.7° |
| C14 | C15 | C16 | C21 | 0.2° | 0.3° |
| C14 | C15 | C16 | S17 | 177.4° | 179.7° |
| C15 | C14 | C23 | H17 | 180.0° | 180.0° |
| C23 | C22 | C21 | H10 | 180.0° | 179.5° |
| C23 | C22 | C21 | C16 | 0.3° | 0.5° |
| C23 | C22 | C21 | N20 | 177.2° | 180.0° |
| C15 | C16 | C21 | C22 | 0.3° | 0.5° |
| C15 | C16 | C21 | S17 | 177.7° | 180.0° |
| C15 | C16 | C21 | N20 | 177.5° | 179.9° |
| C15 | C16 | S17 | C18 | 177.2° | 180.0° |
| C22 | C21 | C16 | N20 | 177.8° | 179.6° |
| C22 | C21 | C16 | S17 | 178.0° | 179.5° |
| C22 | C21 | N20 | C18 | 177.7° | 179.3° |
| C21 | C22 | C23 | H17 | 179.8° | 179.8° |
| C16 | C21 | N20 | C18 | 0.0° | 0.2° |
| C21 | C16 | S17 | C18 | 0.2° | 0.0° |
| C21 | C16 | C15 | H9 | 179.8° | 180.0° |
| C16 | C21 | C22 | H10 | 179.6° | 180.0° |
| S17 | C16 | C21 | N20 | 0.2° | 0.1° |
| C16 | S17 | C18 | N20 | 0.2° | 0.1° |
| C16 | S17 | C18 | C19 | 173.8° | 179.9° |
| S17 | C16 | C15 | H9 | 2.6° | 0.0° |
| C21 | N20 | C18 | S17 | 0.2° | 0.2° |
| C21 | N20 | C18 | C19 | 173.6° | 180.0° |
| N20 | C21 | C22 | H10 | 2.8° | 0.5° |
| N20 | C18 | S17 | C19 | 174.1° | 179.8° |
| N20 | C18 | C19 | H20 | 0.0° | 89.9° |
| N20 | C18 | C19 | H21 | 120.0° | 30.2° |
| N20 | C18 | C19 | H22 | 120.0° | 150.2° |
| S17 | C18 | C19 | H20 | 173.6° | 89.9° |
| S17 | C18 | C19 | H21 | 53.6° | 150.0° |
| S17 | C18 | C19 | H22 | 66.4° | 30.0° |
| C18 | C19 | H20 | H21 | 120.0° | 120.1° |
| C18 | C19 | H20 | H22 | 120.0° | 120.0° |
| C18 | C19 | H21 | H22 | 120.0° | 120.0° |
| H1 | C5 | N6 | H18 | 146.2° | 176.0° |
| H2 | C5 | N6 | H18 | 94.6° | 64.0° |
| H3 | C7 | C8 | H5 | 133.0° | 60.0° |
| H3 | C7 | C8 | H6 | 106.7° | 179.9° |
| H3 | C7 | N6 | H18 | 13.8° | 63.9° |
| H4 | C7 | C8 | H5 | 13.4° | 179.9° |
| H4 | C7 | C8 | H6 | 133.6° | 60.0° |
| H4 | C7 | N6 | H18 | 105.8° | 176.1° |
| H5 | C8 | C9 | H14 | 142.3° | 64.9° |
| H6 | C8 | C9 | H14 | 97.4° | 175.0° |
| H7 | C10 | C9 | H14 | 64.2° | 61.3° |
| H7 | C10 | C11 | H15 | 59.6° | 54.8° |
| H7 | C10 | C11 | H16 | 60.6° | 65.6° |
| H8 | C10 | C9 | H14 | 175.5° | 178.6° |
| H8 | C10 | C11 | H15 | 179.9° | 174.9° |
| H8 | C10 | C11 | H16 | 59.7° | 54.5° |
| H10 | C22 | C23 | H17 | 0.2° | 0.2° |
| H11 | C26 | C27 | H23 | 59.5° | 54.8° |
| H11 | C26 | C27 | H24 | 61.0° | 174.9° |
| H12 | C26 | C27 | H23 | 179.6° | 65.5° |
| H12 | C26 | C27 | H24 | 59.1° | 54.6° |
| H14 | C9 | C27 | H23 | 176.1° | 61.3° |
| H14 | C9 | C27 | H24 | 63.3° | 178.6° |
| H20 | C19 | H21 | H22 | 120.0° | 119.9° |
| H25 | C28 | C29 | H26 | 0.5° | 0.0° |
| H27 | C32 | C33 | H28 | 0.0° | 0.0° |
| H28 | C33 | C34 | H29 | 0.0° | 0.1° |
| H29 | C34 | C35 | H30 | 0.0° | 0.1° |
| H30 | C35 | C36 | H31 | 0.0° | 0.1° |
