9KV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C35 | C33 | sing | 1.53Å | 1.50Å | |
| C35 | C32 | sing | 1.53Å | 1.52Å | |
| C28 | C34 | doub | 1.38Å | 1.38Å | Aromatic |
| C28 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C34 | C29 | sing | 1.38Å | 1.38Å | Aromatic |
| C33 | C24 | sing | 1.53Å | 1.55Å | |
| C21 | C15 | doub | 1.40Å | 1.39Å | Aromatic |
| C29 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C32 | C25 | sing | 1.53Å | 1.53Å | |
| C15 | C20 | sing | 1.40Å | 1.40Å | Aromatic |
| C15 | C9 | sing | 1.48Å | 1.48Å | |
| C24 | C17 | sing | 1.53Å | 1.53Å | |
| S6 | C9 | sing | 1.76Å | 1.76Å | Aromatic |
| S6 | C4 | sing | 1.76Å | 1.74Å | Aromatic |
| C25 | C17 | sing | 1.53Å | 1.52Å | |
| C9 | C12 | doub | 1.36Å | 1.36Å | Aromatic |
| N3 | C10 | sing | 1.35Å | 1.40Å | Aromatic |
| N3 | C1 | doub | 1.31Å | 1.32Å | Aromatic |
| C19 | C10 | doub | 1.40Å | 1.39Å | Aromatic |
| C19 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | N13 | sing | 1.47Å | 1.46Å | |
| C10 | C8 | sing | 1.41Å | 1.38Å | Aromatic |
| C4 | C1 | sing | 1.47Å | 1.46Å | |
| C4 | C11 | doub | 1.36Å | 1.38Å | Aromatic |
| C1 | N2 | sing | 1.37Å | 1.36Å | Aromatic |
| C12 | C11 | sing | 1.37Å | 1.40Å | Aromatic |
| C27 | C26 | doub | 1.39Å | 1.38Å | Aromatic |
| N13 | C5 | sing | 1.35Å | 1.33Å | |
| C8 | N2 | sing | 1.38Å | 1.41Å | Aromatic |
| C8 | C18 | doub | 1.39Å | 1.37Å | Aromatic |
| N2 | C7 | sing | 1.47Å | 1.47Å | |
| C26 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C7 | sing | 1.51Å | 1.54Å | |
| C5 | O14 | doub | 1.21Å | 1.21Å | |
| C7 | C16 | sing | 1.53Å | 1.54Å | |
| C16 | C22 | sing | 1.53Å | 1.53Å | |
| C16 | C23 | sing | 1.53Å | 1.53Å | |
| C22 | C31 | sing | 1.53Å | 1.58Å | |
| C23 | C30 | sing | 1.53Å | 1.53Å | |
| C31 | C36 | sing | 1.53Å | 1.52Å | |
| C30 | C36 | sing | 1.53Å | 1.53Å | |
| C7 | H1 | sing | 1.09Å | 1.10Å | |
| C17 | H2 | sing | 1.09Å | 1.10Å | |
| C20 | H3 | sing | 1.08Å | 1.08Å | |
| C21 | H4 | sing | 1.08Å | 1.08Å | |
| C22 | H5 | sing | 1.09Å | 1.10Å | |
| C22 | H6 | sing | 1.09Å | 1.10Å | |
| C24 | H7 | sing | 1.09Å | 1.10Å | |
| C24 | H8 | sing | 1.09Å | 1.10Å | |
| C26 | H9 | sing | 1.08Å | 1.08Å | |
| C28 | H10 | sing | 1.08Å | 1.08Å | |
| C16 | H11 | sing | 1.09Å | 1.10Å | |
| C18 | H12 | sing | 1.08Å | 1.08Å | |
| C19 | H13 | sing | 1.08Å | 1.08Å | |
| C23 | H14 | sing | 1.09Å | 1.10Å | |
| C23 | H15 | sing | 1.09Å | 1.10Å | |
| C25 | H16 | sing | 1.09Å | 1.10Å | |
| C25 | H17 | sing | 1.09Å | 1.10Å | |
| C27 | H18 | sing | 1.08Å | 1.08Å | |
| C30 | H19 | sing | 1.09Å | 1.10Å | |
| C30 | H20 | sing | 1.09Å | 1.10Å | |
| C31 | H21 | sing | 1.09Å | 1.10Å | |
| C31 | H22 | sing | 1.09Å | 1.10Å | |
| C32 | H23 | sing | 1.09Å | 1.10Å | |
| C32 | H24 | sing | 1.09Å | 1.10Å | |
| C33 | H25 | sing | 1.09Å | 1.10Å | |
| C33 | H26 | sing | 1.09Å | 1.10Å | |
| C35 | H27 | sing | 1.09Å | 1.10Å | |
| C35 | H28 | sing | 1.09Å | 1.10Å | |
| C36 | H29 | sing | 1.09Å | 1.10Å | |
| C36 | H30 | sing | 1.09Å | 1.10Å | |
| N13 | H31 | sing | 0.97Å | 1.00Å | |
| C11 | H32 | sing | 1.08Å | 1.08Å | |
| C12 | H33 | sing | 1.08Å | 1.08Å | |
| C29 | H34 | sing | 1.08Å | 1.08Å | |
| C34 | H35 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C33 | C35 | C32 | 111.1° | 109.5° |
| C35 | C33 | C24 | 112.0° | 109.5° |
| C35 | C33 | H25 | 108.8° | 109.5° |
| C35 | C33 | H26 | 108.9° | 109.5° |
| C33 | C35 | H27 | 109.0° | 109.4° |
| C33 | C35 | H28 | 109.0° | 109.5° |
| C35 | C32 | C25 | 110.9° | 109.4° |
| C35 | C32 | H23 | 109.1° | 109.5° |
| C35 | C32 | H24 | 109.1° | 109.5° |
| C32 | C35 | H27 | 109.0° | 109.4° |
| C32 | C35 | H28 | 109.0° | 109.5° |
| C34 | C28 | C21 | 120.3° | 120.1° |
| C28 | C34 | C29 | 119.7° | 120.3° |
| C34 | C28 | H10 | 119.8° | 119.9° |
| C28 | C34 | H35 | 120.2° | 119.8° |
| C28 | C21 | C15 | 120.8° | 119.9° |
| C28 | C21 | H4 | 119.6° | 120.0° |
| C21 | C28 | H10 | 119.8° | 119.9° |
| C34 | C29 | C20 | 120.4° | 120.1° |
| C34 | C29 | H34 | 119.8° | 119.9° |
| C29 | C34 | H35 | 120.1° | 119.9° |
| C33 | C24 | C17 | 112.3° | 109.5° |
| C33 | C24 | H7 | 108.7° | 109.4° |
| C33 | C24 | H8 | 108.8° | 109.4° |
| C24 | C33 | H25 | 108.8° | 109.5° |
| C24 | C33 | H26 | 108.9° | 109.4° |
| C21 | C15 | C20 | 118.4° | 119.7° |
| C21 | C15 | C9 | 120.8° | 120.1° |
| C15 | C21 | H4 | 119.6° | 120.1° |
| C29 | C20 | C15 | 120.4° | 119.8° |
| C29 | C20 | H3 | 119.8° | 120.1° |
| C20 | C29 | H34 | 119.8° | 119.9° |
| C32 | C25 | C17 | 110.8° | 109.5° |
| C32 | C25 | H16 | 109.1° | 109.5° |
| C32 | C25 | H17 | 109.2° | 109.5° |
| C25 | C32 | H23 | 109.1° | 109.4° |
| C25 | C32 | H24 | 109.1° | 109.5° |
| C20 | C15 | C9 | 120.8° | 120.1° |
| C15 | C20 | H3 | 119.8° | 120.1° |
| C15 | C9 | S6 | 121.8° | 125.1° |
| C15 | C9 | C12 | 127.9° | 125.1° |
| C24 | C17 | C25 | 110.6° | 109.5° |
| C24 | C17 | N13 | 108.7° | 109.5° |
| C24 | C17 | H2 | 108.4° | 109.5° |
| C17 | C24 | H7 | 108.8° | 109.5° |
| C17 | C24 | H8 | 108.7° | 109.5° |
| C9 | S6 | C4 | 91.7° | 91.2° |
| S6 | C9 | C12 | 110.3° | 109.7° |
| S6 | C4 | C1 | 123.9° | 125.2° |
| S6 | C4 | C11 | 110.2° | 109.7° |
| C25 | C17 | N13 | 111.3° | 109.4° |
| C25 | C17 | H2 | 108.6° | 109.4° |
| C17 | C25 | H16 | 109.2° | 109.5° |
| C17 | C25 | H17 | 109.1° | 109.5° |
| C9 | C12 | C11 | 113.8° | 114.8° |
| C9 | C12 | H33 | 123.1° | 122.6° |
| C10 | N3 | C1 | 104.3° | 109.7° |
| N3 | C10 | C19 | 129.5° | 133.3° |
| N3 | C10 | C8 | 110.6° | 107.3° |
| N3 | C1 | C4 | 124.2° | 125.2° |
| N3 | C1 | N2 | 113.6° | 109.7° |
| C10 | C19 | C27 | 118.2° | 119.8° |
| C19 | C10 | C8 | 119.9° | 119.4° |
| C10 | C19 | H13 | 120.9° | 120.1° |
| C19 | C27 | C26 | 120.8° | 120.5° |
| C27 | C19 | H13 | 120.9° | 120.1° |
| C19 | C27 | H18 | 119.6° | 119.7° |
| C17 | N13 | C5 | 123.5° | 120.0° |
| N13 | C17 | H2 | 109.3° | 109.5° |
| C17 | N13 | H31 | 118.2° | 120.0° |
| C10 | C8 | N2 | 104.9° | 106.2° |
| C10 | C8 | C18 | 122.4° | 119.9° |
| C1 | C4 | C11 | 125.9° | 125.1° |
| C4 | C1 | N2 | 122.2° | 125.1° |
| C4 | C11 | C12 | 114.1° | 114.7° |
| C4 | C11 | H32 | 123.0° | 122.6° |
| C1 | N2 | C8 | 106.6° | 107.2° |
| C1 | N2 | C7 | 125.8° | 126.4° |
| C12 | C11 | H32 | 122.9° | 122.7° |
| C11 | C12 | H33 | 123.1° | 122.6° |
| C27 | C26 | C18 | 121.0° | 120.4° |
| C27 | C26 | H9 | 119.5° | 119.8° |
| C26 | C27 | H18 | 119.6° | 119.7° |
| N13 | C5 | C7 | 115.9° | 120.0° |
| N13 | C5 | O14 | 122.9° | 120.0° |
| C5 | N13 | H31 | 118.3° | 120.0° |
| N2 | C8 | C18 | 132.6° | 133.8° |
| C8 | N2 | C7 | 127.7° | 126.4° |
| C8 | C18 | C26 | 117.6° | 119.9° |
| C8 | C18 | H12 | 121.2° | 120.1° |
| N2 | C7 | C5 | 112.1° | 109.5° |
| N2 | C7 | C16 | 111.4° | 109.5° |
| N2 | C7 | H1 | 106.7° | 109.5° |
| C18 | C26 | H9 | 119.5° | 119.8° |
| C26 | C18 | H12 | 121.2° | 120.0° |
| C7 | C5 | O14 | 121.2° | 120.0° |
| C5 | C7 | C16 | 114.3° | 109.5° |
| C5 | C7 | H1 | 105.9° | 109.5° |
| C7 | C16 | C22 | 111.3° | 109.5° |
| C7 | C16 | C23 | 111.4° | 109.5° |
| C16 | C7 | H1 | 105.8° | 109.5° |
| C7 | C16 | H11 | 108.2° | 109.5° |
| C22 | C16 | C23 | 109.0° | 109.5° |
| C16 | C22 | C31 | 112.1° | 109.5° |
| C16 | C22 | H5 | 108.8° | 109.5° |
| C16 | C22 | H6 | 108.8° | 109.5° |
| C22 | C16 | H11 | 108.4° | 109.4° |
| C16 | C23 | C30 | 111.4° | 109.5° |
| C23 | C16 | H11 | 108.5° | 109.4° |
| C16 | C23 | H14 | 109.0° | 109.5° |
| C16 | C23 | H15 | 109.0° | 109.5° |
| C22 | C31 | C36 | 112.0° | 109.5° |
| C31 | C22 | H5 | 108.8° | 109.5° |
| C31 | C22 | H6 | 108.8° | 109.5° |
| C22 | C31 | H21 | 108.8° | 109.5° |
| C22 | C31 | H22 | 108.9° | 109.5° |
| C23 | C30 | C36 | 111.7° | 109.5° |
| C30 | C23 | H14 | 109.0° | 109.5° |
| C30 | C23 | H15 | 109.0° | 109.4° |
| C23 | C30 | H19 | 108.9° | 109.5° |
| C23 | C30 | H20 | 108.9° | 109.5° |
| C31 | C36 | C30 | 111.5° | 109.5° |
| C36 | C31 | H21 | 108.9° | 109.4° |
| C36 | C31 | H22 | 108.8° | 109.5° |
| C31 | C36 | H29 | 108.9° | 109.5° |
| C31 | C36 | H30 | 108.9° | 109.5° |
| C36 | C30 | H19 | 108.9° | 109.4° |
| C36 | C30 | H20 | 108.9° | 109.5° |
| C30 | C36 | H29 | 109.0° | 109.5° |
| C30 | C36 | H30 | 109.0° | 109.5° |
| H5 | C22 | H6 | 109.5° | 109.4° |
| H7 | C24 | H8 | 109.5° | 109.5° |
| H14 | C23 | H15 | 109.5° | 109.4° |
| H16 | C25 | H17 | 109.5° | 109.4° |
| H19 | C30 | H20 | 109.5° | 109.4° |
| H21 | C31 | H22 | 109.5° | 109.5° |
| H23 | C32 | H24 | 109.4° | 109.5° |
| H25 | C33 | H26 | 109.4° | 109.5° |
| H27 | C35 | H28 | 109.5° | 109.5° |
| H29 | C36 | H30 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C33 | C35 | C32 | H27 | 120.2° | 119.9° |
| C33 | C35 | C32 | H28 | 120.2° | 120.0° |
| C35 | C33 | C24 | H25 | 120.4° | 120.0° |
| C35 | C33 | C24 | H26 | 120.4° | 120.0° |
| C33 | C35 | C32 | C25 | 57.8° | 60.0° |
| C35 | C33 | C24 | C17 | 51.7° | 60.0° |
| C35 | C33 | C24 | H7 | 172.2° | 60.0° |
| C35 | C33 | C24 | H8 | 68.7° | 180.0° |
| C33 | C35 | C32 | H23 | 178.0° | 59.9° |
| C33 | C35 | C32 | H24 | 62.5° | 180.0° |
| C35 | C33 | H25 | H26 | 118.9° | 120.0° |
| C33 | C35 | H27 | H28 | 119.2° | 120.0° |
| C32 | C35 | C33 | C24 | 53.7° | 60.0° |
| C35 | C32 | C25 | H23 | 120.2° | 120.0° |
| C35 | C32 | C25 | H24 | 120.3° | 120.0° |
| C35 | C32 | C25 | C17 | 59.1° | 60.0° |
| C35 | C32 | C25 | H16 | 61.1° | 180.0° |
| C35 | C32 | C25 | H17 | 179.2° | 60.0° |
| C35 | C32 | H23 | H24 | 119.3° | 120.1° |
| C32 | C35 | C33 | H25 | 66.7° | 180.0° |
| C32 | C35 | C33 | H26 | 174.1° | 59.9° |
| C32 | C35 | H27 | H28 | 119.2° | 120.1° |
| C34 | C28 | C21 | H10 | 180.0° | 179.8° |
| C28 | C34 | C29 | H35 | 180.0° | 179.9° |
| C34 | C28 | C21 | C15 | 0.1° | 0.0° |
| C28 | C34 | C29 | C20 | 0.1° | 0.4° |
| C34 | C28 | C21 | H4 | 179.9° | 180.0° |
| C28 | C34 | C29 | H34 | 179.9° | 180.0° |
| C21 | C28 | C34 | C29 | 0.0° | 0.2° |
| C28 | C21 | C15 | H4 | 180.0° | 180.0° |
| C28 | C21 | C15 | C20 | 0.2° | 0.0° |
| C28 | C21 | C15 | C9 | 180.0° | 179.8° |
| C21 | C28 | C34 | H35 | 179.9° | 180.0° |
| C34 | C29 | C20 | H34 | 180.0° | 179.6° |
| C34 | C29 | C20 | C15 | 0.0° | 0.4° |
| C34 | C29 | C20 | H3 | 179.9° | 179.6° |
| C29 | C34 | C28 | H10 | 179.9° | 180.0° |
| C33 | C24 | C17 | H7 | 120.4° | 120.0° |
| C33 | C24 | C17 | H8 | 120.4° | 120.0° |
| C33 | C24 | C17 | C25 | 52.5° | 60.0° |
| C33 | C24 | C17 | N13 | 174.9° | 180.0° |
| C33 | C24 | C17 | H2 | 66.4° | 60.0° |
| C33 | C24 | H7 | H8 | 118.7° | 120.0° |
| C24 | C33 | H25 | H26 | 118.9° | 120.0° |
| C24 | C33 | C35 | H27 | 66.5° | 180.0° |
| C24 | C33 | C35 | H28 | 174.0° | 60.0° |
| C21 | C15 | C20 | C29 | 0.2° | 0.2° |
| C21 | C15 | C20 | C9 | 179.8° | 179.8° |
| C21 | C15 | C9 | S6 | 18.1° | 180.0° |
| C21 | C15 | C9 | C12 | 161.4° | 0.2° |
| C21 | C15 | C20 | H3 | 179.8° | 179.8° |
| C15 | C21 | C28 | H10 | 179.9° | 179.8° |
| C29 | C20 | C15 | H3 | 180.0° | 180.0° |
| C29 | C20 | C15 | C9 | 179.9° | 180.0° |
| C20 | C29 | C34 | H35 | 179.9° | 179.7° |
| C32 | C25 | C17 | C24 | 56.2° | 60.0° |
| C32 | C25 | C17 | H16 | 120.2° | 120.0° |
| C32 | C25 | C17 | H17 | 120.2° | 120.1° |
| C32 | C25 | C17 | N13 | 177.1° | 180.0° |
| C32 | C25 | C17 | H2 | 62.6° | 60.0° |
| C32 | C25 | H16 | H17 | 119.4° | 120.0° |
| C25 | C32 | H23 | H24 | 119.3° | 120.0° |
| C25 | C32 | C35 | H27 | 62.5° | 180.0° |
| C25 | C32 | C35 | H28 | 178.0° | 60.0° |
| C20 | C15 | C9 | S6 | 162.1° | 0.2° |
| C20 | C15 | C9 | C12 | 18.4° | 180.0° |
| C20 | C15 | C21 | H4 | 179.8° | 180.0° |
| C15 | C20 | C29 | H34 | 179.9° | 180.0° |
| C15 | C9 | S6 | C12 | 179.6° | 179.9° |
| C15 | C9 | S6 | C4 | 179.6° | 179.8° |
| C15 | C9 | C12 | C11 | 179.6° | 179.9° |
| C9 | C15 | C20 | H3 | 0.0° | 0.0° |
| C9 | C15 | C21 | H4 | 0.1° | 0.2° |
| C15 | C9 | C12 | H33 | 0.4° | 0.1° |
| C24 | C17 | C25 | N13 | 120.9° | 120.0° |
| C24 | C17 | C25 | H2 | 118.8° | 120.0° |
| C24 | C17 | N13 | H2 | 118.1° | 120.1° |
| C24 | C17 | N13 | C5 | 117.1° | 155.0° |
| C17 | C24 | H7 | H8 | 118.7° | 120.0° |
| C24 | C17 | C25 | H16 | 64.0° | 180.0° |
| C24 | C17 | C25 | H17 | 176.4° | 60.0° |
| C17 | C24 | C33 | H25 | 68.6° | 180.0° |
| C17 | C24 | C33 | H26 | 172.1° | 60.0° |
| C24 | C17 | N13 | H31 | 62.9° | 25.0° |
| C9 | S6 | C4 | C1 | 179.9° | 179.9° |
| C9 | S6 | C4 | C11 | 0.0° | 0.3° |
| S6 | C9 | C12 | C11 | 0.1° | 0.2° |
| S6 | C9 | C12 | H33 | 179.9° | 179.7° |
| C4 | S6 | C9 | C12 | 0.1° | 0.3° |
| S6 | C4 | C1 | N3 | 97.4° | 168.7° |
| S6 | C4 | C1 | C11 | 180.0° | 179.8° |
| S6 | C4 | C1 | N2 | 82.2° | 11.4° |
| S6 | C4 | C11 | C12 | 0.0° | 0.3° |
| S6 | C4 | C11 | H32 | 180.0° | 179.8° |
| C25 | C17 | N13 | H2 | 119.9° | 119.9° |
| C25 | C17 | N13 | C5 | 121.0° | 85.0° |
| C25 | C17 | C24 | H7 | 172.9° | 60.0° |
| C25 | C17 | C24 | H8 | 68.0° | 180.0° |
| C17 | C25 | H16 | H17 | 119.4° | 120.0° |
| C17 | C25 | C32 | H23 | 179.3° | 60.0° |
| C17 | C25 | C32 | H24 | 61.2° | 180.0° |
| C25 | C17 | N13 | H31 | 59.1° | 95.0° |
| C9 | C12 | C11 | C4 | 0.0° | 0.0° |
| C9 | C12 | C11 | H33 | 180.0° | 180.0° |
| C9 | C12 | C11 | H32 | 180.0° | 180.0° |
| N3 | C10 | C19 | C8 | 179.5° | 180.0° |
| N3 | C10 | C19 | C27 | 179.7° | 180.0° |
| C10 | N3 | C1 | C4 | 179.8° | 179.9° |
| C10 | N3 | C1 | N2 | 0.6° | 0.0° |
| N3 | C10 | C8 | N2 | 0.5° | 0.1° |
| N3 | C10 | C8 | C18 | 179.8° | 180.0° |
| N3 | C10 | C19 | H13 | 0.3° | 0.1° |
| C1 | N3 | C10 | C19 | 179.9° | 180.0° |
| C1 | N3 | C10 | C8 | 0.6° | 0.0° |
| N3 | C1 | C4 | N2 | 179.6° | 179.9° |
| N3 | C1 | C4 | C11 | 82.6° | 11.6° |
| N3 | C1 | N2 | C8 | 0.3° | 0.0° |
| N3 | C1 | N2 | C7 | 179.0° | 180.0° |
| C10 | C19 | C27 | H13 | 180.0° | 179.9° |
| C10 | C19 | C27 | C26 | 0.0° | 0.1° |
| C19 | C10 | C8 | N2 | 180.0° | 180.0° |
| C19 | C10 | C8 | C18 | 0.3° | 0.0° |
| C10 | C19 | C27 | H18 | 180.0° | 180.0° |
| C27 | C19 | C10 | C8 | 0.2° | 0.0° |
| C19 | C27 | C26 | H18 | 180.0° | 179.9° |
| C19 | C27 | C26 | C18 | 0.1° | 0.1° |
| C19 | C27 | C26 | H9 | 179.9° | 179.9° |
| C17 | N13 | C5 | H31 | 180.0° | 179.9° |
| C17 | N13 | C5 | C7 | 179.6° | 172.9° |
| C17 | N13 | C5 | O14 | 0.3° | 7.0° |
| N13 | C17 | C24 | H7 | 64.7° | 60.0° |
| N13 | C17 | C24 | H8 | 54.4° | 60.1° |
| N13 | C17 | C25 | H16 | 56.9° | 60.0° |
| N13 | C17 | C25 | H17 | 62.7° | 60.0° |
| C10 | C8 | N2 | C1 | 0.1° | 0.1° |
| C10 | C8 | N2 | C18 | 179.7° | 180.0° |
| C10 | C8 | N2 | C7 | 179.4° | 180.0° |
| C10 | C8 | C18 | C26 | 0.1° | 0.0° |
| C10 | C8 | C18 | H12 | 179.8° | 180.0° |
| C8 | C10 | C19 | H13 | 179.8° | 180.0° |
| C1 | C4 | C11 | C12 | 180.0° | 180.0° |
| C4 | C1 | N2 | C8 | 179.9° | 180.0° |
| C4 | C1 | N2 | C7 | 0.7° | 0.1° |
| C1 | C4 | C11 | H32 | 0.1° | 0.0° |
| C11 | C4 | C1 | N2 | 97.8° | 168.4° |
| C4 | C11 | C12 | H32 | 180.0° | 180.0° |
| C4 | C11 | C12 | H33 | 180.0° | 180.0° |
| C1 | N2 | C8 | C7 | 179.2° | 180.0° |
| C1 | N2 | C8 | C18 | 179.8° | 180.0° |
| C1 | N2 | C7 | C5 | 116.4° | 51.9° |
| C1 | N2 | C7 | C16 | 114.1° | 68.1° |
| C1 | N2 | C7 | H1 | 1.0° | 171.8° |
| C27 | C26 | C18 | C8 | 0.0° | 0.0° |
| C27 | C26 | C18 | H9 | 180.0° | 180.0° |
| C27 | C26 | C18 | H12 | 180.0° | 179.9° |
| C26 | C27 | C19 | H13 | 179.9° | 180.0° |
| N13 | C5 | C7 | N2 | 38.4° | 170.4° |
| N13 | C5 | C7 | O14 | 179.9° | 180.0° |
| N13 | C5 | C7 | C16 | 166.4° | 69.6° |
| N13 | C5 | C7 | H1 | 77.5° | 50.4° |
| C5 | N13 | C17 | H2 | 1.1° | 34.9° |
| N2 | C8 | C18 | C26 | 179.8° | 179.9° |
| C8 | N2 | C7 | C5 | 62.7° | 128.2° |
| C8 | N2 | C7 | C16 | 66.8° | 111.8° |
| C8 | N2 | C7 | H1 | 178.1° | 8.2° |
| N2 | C8 | C18 | H12 | 0.2° | 0.0° |
| C18 | C8 | N2 | C7 | 0.9° | 0.0° |
| C8 | C18 | C26 | H12 | 180.0° | 180.0° |
| C8 | C18 | C26 | H9 | 180.0° | 180.0° |
| N2 | C7 | C5 | C16 | 128.0° | 120.0° |
| N2 | C7 | C5 | H1 | 115.9° | 120.0° |
| N2 | C7 | C5 | O14 | 141.7° | 9.6° |
| N2 | C7 | C16 | H1 | 115.6° | 120.0° |
| N2 | C7 | C16 | C22 | 38.7° | 68.2° |
| N2 | C7 | C16 | C23 | 160.6° | 171.8° |
| N2 | C7 | C16 | H11 | 80.3° | 51.8° |
| C18 | C26 | C27 | H18 | 179.9° | 180.0° |
| C5 | C7 | C16 | H1 | 116.1° | 120.0° |
| C5 | C7 | C16 | C22 | 167.0° | 171.8° |
| C5 | C7 | C16 | C23 | 71.1° | 51.8° |
| C5 | C7 | C16 | H11 | 48.0° | 68.2° |
| C7 | C5 | N13 | H31 | 0.4° | 7.1° |
| O14 | C5 | C7 | C16 | 13.7° | 110.4° |
| O14 | C5 | C7 | H1 | 102.4° | 129.6° |
| O14 | C5 | N13 | H31 | 179.7° | 172.9° |
| C7 | C16 | C22 | C23 | 123.2° | 120.0° |
| C7 | C16 | C22 | H11 | 118.9° | 120.0° |
| C7 | C16 | C23 | H11 | 119.0° | 120.0° |
| C7 | C16 | C22 | C31 | 179.1° | 180.0° |
| C7 | C16 | C23 | C30 | 177.9° | 180.0° |
| C7 | C16 | C22 | H5 | 58.7° | 60.0° |
| C7 | C16 | C22 | H6 | 60.5° | 60.0° |
| C7 | C16 | C23 | H14 | 57.7° | 60.0° |
| C7 | C16 | C23 | H15 | 61.7° | 60.0° |
| C22 | C16 | C23 | H11 | 117.8° | 119.9° |
| C16 | C22 | C31 | H5 | 120.4° | 120.0° |
| C16 | C22 | C31 | H6 | 120.4° | 120.0° |
| C22 | C16 | C23 | C30 | 58.9° | 59.9° |
| C16 | C22 | C31 | C36 | 53.0° | 60.0° |
| C22 | C16 | C7 | H1 | 76.8° | 51.8° |
| C16 | C22 | H5 | H6 | 118.8° | 120.0° |
| C22 | C16 | C23 | H14 | 179.1° | 180.0° |
| C22 | C16 | C23 | H15 | 61.4° | 60.0° |
| C16 | C22 | C31 | H21 | 173.4° | 180.0° |
| C16 | C22 | C31 | H22 | 67.4° | 60.0° |
| C23 | C16 | C22 | C31 | 55.9° | 60.0° |
| C16 | C23 | C30 | H14 | 120.3° | 120.1° |
| C16 | C23 | C30 | H15 | 120.3° | 120.0° |
| C16 | C23 | C30 | C36 | 58.5° | 60.0° |
| C23 | C16 | C7 | H1 | 45.0° | 68.2° |
| C23 | C16 | C22 | H5 | 64.5° | 60.0° |
| C23 | C16 | C22 | H6 | 176.3° | 180.0° |
| C16 | C23 | H14 | H15 | 119.1° | 120.0° |
| C16 | C23 | C30 | H19 | 61.9° | 60.0° |
| C16 | C23 | C30 | H20 | 178.8° | 180.0° |
| C22 | C31 | C36 | H21 | 120.4° | 120.0° |
| C22 | C31 | C36 | H22 | 120.4° | 120.0° |
| C22 | C31 | C36 | C30 | 50.8° | 60.0° |
| C31 | C22 | H5 | H6 | 118.8° | 120.0° |
| C31 | C22 | C16 | H11 | 62.0° | 60.0° |
| C22 | C31 | H21 | H22 | 118.9° | 120.1° |
| C22 | C31 | C36 | H29 | 69.5° | 180.0° |
| C22 | C31 | C36 | H30 | 171.1° | 60.0° |
| C23 | C30 | C36 | C31 | 53.9° | 60.0° |
| C23 | C30 | C36 | H19 | 120.3° | 120.0° |
| C23 | C30 | C36 | H20 | 120.3° | 120.1° |
| C30 | C23 | C16 | H11 | 59.0° | 60.0° |
| C30 | C23 | H14 | H15 | 119.1° | 119.9° |
| C23 | C30 | H19 | H20 | 119.0° | 120.0° |
| C23 | C30 | C36 | H29 | 66.4° | 180.0° |
| C23 | C30 | C36 | H30 | 174.2° | 60.0° |
| C31 | C36 | C30 | H29 | 120.3° | 120.0° |
| C31 | C36 | C30 | H30 | 120.3° | 120.0° |
| C36 | C31 | C22 | H5 | 67.4° | 60.0° |
| C36 | C31 | C22 | H6 | 173.4° | 180.0° |
| C31 | C36 | C30 | H19 | 66.4° | 60.0° |
| C31 | C36 | C30 | H20 | 174.2° | 180.0° |
| C36 | C31 | H21 | H22 | 118.8° | 120.0° |
| C31 | C36 | H29 | H30 | 119.0° | 120.0° |
| C36 | C30 | C23 | H14 | 178.7° | 180.0° |
| C36 | C30 | C23 | H15 | 61.8° | 60.0° |
| C36 | C30 | H19 | H20 | 119.0° | 120.0° |
| C30 | C36 | C31 | H21 | 171.2° | 180.0° |
| C30 | C36 | C31 | H22 | 69.6° | 60.0° |
| C30 | C36 | H29 | H30 | 119.1° | 120.0° |
| H1 | C7 | C16 | H11 | 164.1° | 171.8° |
| H2 | C17 | C24 | H7 | 54.0° | 179.9° |
| H2 | C17 | C24 | H8 | 173.1° | 60.0° |
| H2 | C17 | C25 | H16 | 177.2° | 60.0° |
| H2 | C17 | C25 | H17 | 57.6° | 179.9° |
| H2 | C17 | N13 | H31 | 178.9° | 145.0° |
| H3 | C20 | C29 | H34 | 0.1° | 0.0° |
| H4 | C21 | C28 | H10 | 0.1° | 0.2° |
| H5 | C22 | C16 | H11 | 177.6° | 180.0° |
| H5 | C22 | C31 | H21 | 53.0° | 60.0° |
| H5 | C22 | C31 | H22 | 172.2° | 180.0° |
| H6 | C22 | C16 | H11 | 58.4° | 60.1° |
| H6 | C22 | C31 | H21 | 66.2° | 60.0° |
| H6 | C22 | C31 | H22 | 53.0° | 60.1° |
| H7 | C24 | C33 | H25 | 51.8° | 60.0° |
| H7 | C24 | C33 | H26 | 67.4° | 180.0° |
| H8 | C24 | C33 | H25 | 170.9° | 60.0° |
| H8 | C24 | C33 | H26 | 51.7° | 60.0° |
| H9 | C26 | C18 | H12 | 0.0° | 0.1° |
| H9 | C26 | C27 | H18 | 0.1° | 0.0° |
| H10 | C28 | C34 | H35 | 0.1° | 0.1° |
| H11 | C16 | C23 | H14 | 61.3° | 60.1° |
| H11 | C16 | C23 | H15 | 179.3° | 180.0° |
| H13 | C19 | C27 | H18 | 0.0° | 0.1° |
| H14 | C23 | C30 | H19 | 58.4° | 60.1° |
| H14 | C23 | C30 | H20 | 60.9° | 59.9° |
| H15 | C23 | C30 | H19 | 177.8° | 180.0° |
| H15 | C23 | C30 | H20 | 58.5° | 60.0° |
| H16 | C25 | C32 | H23 | 59.1° | 60.0° |
| H16 | C25 | C32 | H24 | 178.6° | 60.0° |
| H17 | C25 | C32 | H23 | 60.5° | 180.0° |
| H17 | C25 | C32 | H24 | 59.0° | 60.0° |
| H19 | C30 | C36 | H29 | 173.3° | 60.0° |
| H19 | C30 | C36 | H30 | 53.9° | 180.0° |
| H20 | C30 | C36 | H29 | 53.9° | 60.0° |
| H20 | C30 | C36 | H30 | 65.5° | 60.0° |
| H21 | C31 | C36 | H29 | 50.9° | 60.0° |
| H21 | C31 | C36 | H30 | 68.5° | 60.0° |
| H22 | C31 | C36 | H29 | 170.1° | 60.0° |
| H22 | C31 | C36 | H30 | 50.7° | 180.0° |
| H23 | C32 | C35 | H27 | 57.7° | 60.0° |
| H23 | C32 | C35 | H28 | 61.8° | 180.0° |
| H24 | C32 | C35 | H27 | 177.3° | 60.1° |
| H24 | C32 | C35 | H28 | 57.7° | 60.0° |
| H25 | C33 | C35 | H27 | 173.1° | 60.0° |
| H25 | C33 | C35 | H28 | 53.6° | 60.0° |
| H26 | C33 | C35 | H27 | 53.9° | 60.0° |
| H26 | C33 | C35 | H28 | 65.6° | 180.0° |
| H32 | C11 | C12 | H33 | 0.0° | 0.0° |
| H34 | C29 | C34 | H35 | 0.1° | 0.1° |
