23K
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C1 | C2 | sing | 1.39Å | 1.38Å | Aromatic |
| C26 | C27 | doub | 1.38Å | 1.38Å | Aromatic |
| C26 | C25 | sing | 1.38Å | 1.37Å | Aromatic |
| F7 | C2 | sing | 1.35Å | 1.34Å | |
| C27 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C25 | C24 | doub | 1.38Å | 1.38Å | Aromatic |
| C22 | C21 | sing | 1.51Å | 1.49Å | |
| C22 | C23 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.38Å | Aromatic |
| C21 | C18 | sing | 1.53Å | 1.53Å | |
| O11 | S9 | doub | 1.42Å | 1.44Å | |
| C5 | S9 | sing | 1.76Å | 1.78Å | |
| C5 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| O19 | C17 | sing | 1.43Å | 1.42Å | |
| C3 | C4 | sing | 1.40Å | 1.38Å | Aromatic |
| C13 | C17 | sing | 1.53Å | 1.52Å | |
| C13 | N10 | sing | 1.46Å | 1.46Å | |
| C18 | C17 | sing | 1.53Å | 1.54Å | |
| C18 | N20 | sing | 1.47Å | 1.46Å | |
| S9 | N10 | sing | 1.66Å | 1.67Å | |
| S9 | O12 | doub | 1.42Å | 1.45Å | |
| C4 | C8 | sing | 1.51Å | 1.50Å | |
| N20 | C28 | sing | 1.35Å | 1.38Å | |
| N10 | C14 | sing | 1.43Å | 1.47Å | |
| C8 | C15 | sing | 1.52Å | 1.51Å | |
| C28 | N29 | sing | 1.35Å | 1.39Å | |
| C28 | O30 | doub | 1.22Å | 1.22Å | |
| C14 | C15 | sing | 1.55Å | 1.52Å | |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| N29 | C31 | sing | 1.47Å | 1.44Å | |
| C16 | C34 | sing | 1.53Å | 1.51Å | |
| C16 | C35 | sing | 1.53Å | 1.50Å | |
| C31 | C36 | sing | 1.53Å | 1.52Å | |
| C31 | C32 | sing | 1.53Å | 1.52Å | |
| C31 | C33 | sing | 1.53Å | 1.51Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C16 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| C18 | H13 | sing | 1.09Å | 1.10Å | |
| O19 | H14 | sing | 0.97Å | 0.95Å | |
| N20 | H15 | sing | 0.97Å | 1.00Å | |
| C21 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | H17 | sing | 1.09Å | 1.10Å | |
| C23 | H18 | sing | 1.08Å | 1.08Å | |
| C24 | H19 | sing | 1.08Å | 1.08Å | |
| C25 | H20 | sing | 1.08Å | 1.08Å | |
| C26 | H21 | sing | 1.08Å | 1.08Å | |
| C27 | H22 | sing | 1.08Å | 1.08Å | |
| N29 | H23 | sing | 0.97Å | 1.00Å | |
| C32 | H24 | sing | 1.09Å | 1.10Å | |
| C32 | H25 | sing | 1.09Å | 1.10Å | |
| C32 | H26 | sing | 1.09Å | 1.10Å | |
| C33 | H27 | sing | 1.09Å | 1.10Å | |
| C33 | H28 | sing | 1.09Å | 1.10Å | |
| C33 | H29 | sing | 1.09Å | 1.10Å | |
| C34 | H30 | sing | 1.09Å | 1.10Å | |
| C34 | H31 | sing | 1.09Å | 1.10Å | |
| C34 | H32 | sing | 1.09Å | 1.10Å | |
| C35 | H33 | sing | 1.09Å | 1.10Å | |
| C35 | H34 | sing | 1.09Å | 1.10Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| C36 | H36 | sing | 1.09Å | 1.10Å | |
| C36 | H37 | sing | 1.09Å | 1.10Å | |
| C36 | H38 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C1 | C2 | 118.9° | 119.1° |
| C1 | C6 | C5 | 118.1° | 120.5° |
| C6 | C1 | H1 | 120.6° | 120.5° |
| C1 | C6 | H3 | 121.0° | 119.7° |
| C1 | C2 | F7 | 118.8° | 120.0° |
| C1 | C2 | C3 | 122.6° | 120.1° |
| C2 | C1 | H1 | 120.6° | 120.4° |
| C27 | C26 | C25 | 120.1° | 120.0° |
| C26 | C27 | C22 | 119.3° | 120.0° |
| C27 | C26 | H21 | 120.0° | 120.0° |
| C26 | C27 | H22 | 120.3° | 120.0° |
| C26 | C25 | C24 | 120.7° | 120.0° |
| C26 | C25 | H20 | 119.6° | 120.0° |
| C25 | C26 | H21 | 119.9° | 120.0° |
| F7 | C2 | C3 | 118.6° | 119.9° |
| C27 | C22 | C21 | 120.5° | 120.0° |
| C27 | C22 | C23 | 120.4° | 120.0° |
| C22 | C27 | H22 | 120.3° | 120.0° |
| C6 | C5 | S9 | 116.6° | 119.1° |
| C6 | C5 | C4 | 123.9° | 121.2° |
| C5 | C6 | H3 | 120.9° | 119.8° |
| C25 | C24 | C23 | 119.5° | 120.0° |
| C25 | C24 | H19 | 120.3° | 120.0° |
| C24 | C25 | H20 | 119.7° | 120.0° |
| C21 | C22 | C23 | 119.1° | 120.0° |
| C22 | C21 | C18 | 110.5° | 109.5° |
| C22 | C21 | H16 | 109.2° | 109.5° |
| C22 | C21 | H17 | 109.2° | 109.5° |
| C22 | C23 | C24 | 119.9° | 119.9° |
| C22 | C23 | H18 | 120.0° | 120.0° |
| C2 | C3 | C4 | 119.6° | 121.4° |
| C2 | C3 | H2 | 120.2° | 119.3° |
| C24 | C23 | H18 | 120.1° | 120.1° |
| C23 | C24 | H19 | 120.2° | 119.9° |
| C21 | C18 | C17 | 115.6° | 109.5° |
| C21 | C18 | N20 | 111.1° | 109.5° |
| C21 | C18 | H13 | 106.6° | 109.5° |
| C18 | C21 | H16 | 109.2° | 109.4° |
| C18 | C21 | H17 | 109.2° | 109.5° |
| O11 | S9 | C5 | 108.0° | 106.6° |
| O11 | S9 | N10 | 110.1° | 106.6° |
| O11 | S9 | O12 | 119.3° | 123.5° |
| S9 | C5 | C4 | 119.5° | 119.7° |
| C5 | S9 | N10 | 105.0° | 106.0° |
| C5 | S9 | O12 | 107.1° | 106.6° |
| C5 | C4 | C3 | 116.9° | 117.6° |
| C5 | C4 | C8 | 125.2° | 127.5° |
| O19 | C17 | C13 | 109.3° | 109.5° |
| O19 | C17 | C18 | 111.2° | 109.5° |
| O19 | C17 | H12 | 106.8° | 109.5° |
| C17 | O19 | H14 | 109.5° | 114.0° |
| C3 | C4 | C8 | 117.8° | 114.8° |
| C4 | C3 | H2 | 120.2° | 119.2° |
| C17 | C13 | N10 | 110.6° | 109.5° |
| C13 | C17 | C18 | 117.6° | 109.5° |
| C17 | C13 | H6 | 109.2° | 109.5° |
| C17 | C13 | H7 | 109.2° | 109.4° |
| C13 | C17 | H12 | 105.7° | 109.5° |
| C13 | N10 | S9 | 118.3° | 121.4° |
| C13 | N10 | C14 | 119.3° | 121.4° |
| N10 | C13 | H6 | 109.2° | 109.5° |
| N10 | C13 | H7 | 109.2° | 109.4° |
| C17 | C18 | N20 | 109.2° | 109.5° |
| C18 | C17 | H12 | 105.5° | 109.4° |
| C17 | C18 | H13 | 106.5° | 109.5° |
| C18 | N20 | C28 | 121.4° | 120.0° |
| N20 | C18 | H13 | 107.4° | 109.4° |
| C18 | N20 | H15 | 119.3° | 120.0° |
| N10 | S9 | O12 | 106.5° | 106.6° |
| S9 | N10 | C14 | 118.4° | 117.2° |
| C4 | C8 | C15 | 114.7° | 114.0° |
| C4 | C8 | H4 | 108.2° | 108.6° |
| C4 | C8 | H5 | 108.1° | 108.6° |
| N20 | C28 | N29 | 113.5° | 120.0° |
| N20 | C28 | O30 | 123.0° | 120.0° |
| C28 | N20 | H15 | 119.3° | 120.0° |
| N10 | C14 | C15 | 113.8° | 109.0° |
| N10 | C14 | H8 | 108.4° | 109.6° |
| N10 | C14 | H9 | 108.4° | 109.5° |
| C8 | C15 | C14 | 111.2° | 109.8° |
| C8 | C15 | C16 | 107.5° | 109.4° |
| C15 | C8 | H4 | 108.1° | 108.5° |
| C15 | C8 | H5 | 108.2° | 108.6° |
| C8 | C15 | H10 | 110.4° | 109.4° |
| N29 | C28 | O30 | 123.5° | 120.0° |
| C28 | N29 | C31 | 125.3° | 120.0° |
| C28 | N29 | H23 | 117.4° | 120.0° |
| C14 | C15 | C16 | 107.3° | 109.4° |
| C15 | C14 | H8 | 108.4° | 109.6° |
| C15 | C14 | H9 | 108.4° | 109.5° |
| C14 | C15 | H10 | 110.2° | 109.4° |
| C15 | C16 | C34 | 114.6° | 109.5° |
| C15 | C16 | C35 | 112.2° | 109.5° |
| C16 | C15 | H10 | 110.2° | 109.4° |
| C15 | C16 | H11 | 107.9° | 109.4° |
| N29 | C31 | C36 | 106.6° | 109.5° |
| N29 | C31 | C32 | 112.0° | 109.5° |
| N29 | C31 | C33 | 111.2° | 109.5° |
| C31 | N29 | H23 | 117.4° | 120.0° |
| C34 | C16 | C35 | 105.6° | 109.5° |
| C34 | C16 | H11 | 108.1° | 109.5° |
| C16 | C34 | H30 | 109.5° | 109.5° |
| C16 | C34 | H31 | 109.5° | 109.5° |
| C16 | C34 | H32 | 109.5° | 109.5° |
| C35 | C16 | H11 | 108.2° | 109.5° |
| C16 | C35 | H33 | 109.5° | 109.5° |
| C16 | C35 | H34 | 109.5° | 109.5° |
| C16 | C35 | H35 | 109.5° | 109.5° |
| C36 | C31 | C32 | 110.2° | 109.5° |
| C36 | C31 | C33 | 107.6° | 109.5° |
| C31 | C36 | H36 | 109.5° | 109.5° |
| C31 | C36 | H37 | 109.5° | 109.5° |
| C31 | C36 | H38 | 109.4° | 109.5° |
| C32 | C31 | C33 | 109.1° | 109.4° |
| C31 | C32 | H24 | 109.5° | 109.5° |
| C31 | C32 | H25 | 109.5° | 109.5° |
| C31 | C32 | H26 | 109.5° | 109.4° |
| C31 | C33 | H27 | 109.5° | 109.4° |
| C31 | C33 | H28 | 109.5° | 109.5° |
| C31 | C33 | H29 | 109.4° | 109.5° |
| H4 | C8 | H5 | 109.5° | 108.4° |
| H6 | C13 | H7 | 109.5° | 109.5° |
| H8 | C14 | H9 | 109.5° | 109.7° |
| H16 | C21 | H17 | 109.5° | 109.4° |
| H24 | C32 | H25 | 109.5° | 109.5° |
| H24 | C32 | H26 | 109.5° | 109.5° |
| H25 | C32 | H26 | 109.4° | 109.5° |
| H27 | C33 | H28 | 109.4° | 109.5° |
| H27 | C33 | H29 | 109.5° | 109.5° |
| H28 | C33 | H29 | 109.5° | 109.5° |
| H30 | C34 | H31 | 109.4° | 109.5° |
| H30 | C34 | H32 | 109.5° | 109.5° |
| H31 | C34 | H32 | 109.4° | 109.4° |
| H33 | C35 | H34 | 109.5° | 109.5° |
| H33 | C35 | H35 | 109.5° | 109.4° |
| H34 | C35 | H35 | 109.5° | 109.5° |
| H36 | C36 | H37 | 109.4° | 109.5° |
| H36 | C36 | H38 | 109.5° | 109.5° |
| H37 | C36 | H38 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C1 | C2 | H1 | 180.0° | 179.7° |
| C6 | C1 | C2 | F7 | 179.4° | 178.0° |
| C1 | C6 | C5 | H3 | 180.0° | 180.0° |
| C6 | C1 | C2 | C3 | 0.5° | 2.1° |
| C1 | C6 | C5 | S9 | 178.1° | 176.6° |
| C1 | C6 | C5 | C4 | 0.5° | 2.5° |
| C1 | C2 | F7 | C3 | 179.0° | 179.9° |
| C2 | C1 | C6 | C5 | 0.3° | 0.3° |
| C1 | C2 | C3 | C4 | 0.7° | 1.3° |
| C1 | C2 | C3 | H2 | 179.3° | 178.7° |
| C2 | C1 | C6 | H3 | 179.7° | 179.8° |
| C27 | C26 | C25 | H21 | 180.0° | 179.3° |
| C26 | C27 | C22 | H22 | 180.0° | 179.4° |
| C27 | C26 | C25 | C24 | 0.3° | 0.4° |
| C26 | C27 | C22 | C21 | 177.5° | 179.7° |
| C26 | C27 | C22 | C23 | 2.0° | 0.6° |
| C27 | C26 | C25 | H20 | 179.7° | 179.7° |
| C25 | C26 | C27 | C22 | 1.1° | 0.6° |
| C26 | C25 | C24 | H20 | 180.0° | 179.9° |
| C26 | C25 | C24 | C23 | 0.7° | 0.1° |
| C26 | C25 | C24 | H19 | 179.3° | 180.0° |
| C25 | C26 | C27 | H22 | 179.0° | 179.9° |
| F7 | C2 | C3 | C4 | 179.7° | 178.7° |
| F7 | C2 | C1 | H1 | 0.6° | 1.7° |
| F7 | C2 | C3 | H2 | 0.3° | 1.2° |
| C27 | C22 | C21 | C23 | 179.5° | 179.7° |
| C27 | C22 | C23 | C24 | 1.6° | 0.3° |
| C27 | C22 | C21 | C18 | 102.3° | 90.3° |
| C27 | C22 | C21 | H16 | 137.6° | 149.7° |
| C27 | C22 | C21 | H17 | 17.9° | 29.8° |
| C27 | C22 | C23 | H18 | 178.4° | 179.7° |
| C22 | C27 | C26 | H21 | 178.9° | 180.0° |
| C6 | C5 | S9 | O11 | 7.8° | 112.0° |
| C6 | C5 | S9 | C4 | 178.7° | 179.1° |
| C6 | C5 | C4 | C3 | 0.7° | 3.2° |
| C6 | C5 | S9 | N10 | 125.3° | 134.8° |
| C6 | C5 | S9 | O12 | 121.8° | 21.5° |
| C6 | C5 | C4 | C8 | 179.0° | 172.3° |
| C5 | C6 | C1 | H1 | 179.7° | 179.9° |
| C25 | C24 | C23 | C22 | 0.3° | 0.0° |
| C25 | C24 | C23 | H19 | 180.0° | 180.0° |
| C25 | C24 | C23 | H18 | 179.7° | 180.0° |
| C24 | C25 | C26 | H21 | 179.7° | 179.7° |
| C21 | C22 | C23 | C24 | 177.9° | 180.0° |
| C22 | C21 | C18 | H16 | 120.2° | 120.0° |
| C22 | C21 | C18 | H17 | 120.1° | 120.0° |
| C22 | C21 | C18 | C17 | 178.9° | 175.0° |
| C22 | C21 | C18 | N20 | 55.9° | 65.0° |
| C22 | C21 | C18 | H13 | 60.8° | 55.0° |
| C22 | C21 | H16 | H17 | 119.5° | 120.0° |
| C21 | C22 | C23 | H18 | 2.1° | 0.0° |
| C21 | C22 | C27 | H22 | 2.5° | 0.2° |
| C22 | C23 | C24 | H18 | 180.0° | 180.0° |
| C23 | C22 | C21 | C18 | 77.2° | 90.0° |
| C23 | C22 | C21 | H16 | 42.9° | 30.0° |
| C23 | C22 | C21 | H17 | 162.6° | 150.0° |
| C22 | C23 | C24 | H19 | 179.8° | 180.0° |
| C23 | C22 | C27 | H22 | 178.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.8° | 1.3° |
| C2 | C3 | C4 | H2 | 180.0° | 180.0° |
| C2 | C3 | C4 | C8 | 179.2° | 174.8° |
| C3 | C2 | C1 | H1 | 179.5° | 178.2° |
| C23 | C24 | C25 | H20 | 179.3° | 180.0° |
| C21 | C18 | C17 | O19 | 56.2° | 55.0° |
| C21 | C18 | C17 | C13 | 70.8° | 65.0° |
| C21 | C18 | C17 | N20 | 126.2° | 120.0° |
| C21 | C18 | C17 | H13 | 118.2° | 120.0° |
| C21 | C18 | N20 | H13 | 116.2° | 120.0° |
| C21 | C18 | N20 | C28 | 143.4° | 84.9° |
| C21 | C18 | C17 | H12 | 171.6° | 175.0° |
| C21 | C18 | N20 | H15 | 36.7° | 95.1° |
| C18 | C21 | H16 | H17 | 119.5° | 119.9° |
| O11 | S9 | C5 | N10 | 117.5° | 113.2° |
| O11 | S9 | C5 | O12 | 129.6° | 133.5° |
| O11 | S9 | C5 | C4 | 173.6° | 67.1° |
| O11 | S9 | N10 | C13 | 36.1° | 153.7° |
| O11 | S9 | N10 | O12 | 130.6° | 133.5° |
| O11 | S9 | N10 | C14 | 166.3° | 26.2° |
| S9 | C5 | C4 | C3 | 177.9° | 175.8° |
| C5 | S9 | N10 | C13 | 80.0° | 93.1° |
| C5 | S9 | N10 | O12 | 113.3° | 113.2° |
| S9 | C5 | C4 | C8 | 0.4° | 8.6° |
| C5 | S9 | N10 | C14 | 77.6° | 87.0° |
| S9 | C5 | C6 | H3 | 1.8° | 3.5° |
| C5 | C4 | C3 | C8 | 178.4° | 176.1° |
| C4 | C5 | S9 | N10 | 56.0° | 46.2° |
| C4 | C5 | S9 | O12 | 56.9° | 159.4° |
| C5 | C4 | C8 | C15 | 67.4° | 32.4° |
| C5 | C4 | C3 | H2 | 179.2° | 178.6° |
| C4 | C5 | C6 | H3 | 179.6° | 177.5° |
| C5 | C4 | C8 | H4 | 53.4° | 88.8° |
| C5 | C4 | C8 | H5 | 171.8° | 153.5° |
| O19 | C17 | C13 | C18 | 127.9° | 120.0° |
| O19 | C17 | C13 | H12 | 114.6° | 120.0° |
| O19 | C17 | C13 | N10 | 168.7° | 65.0° |
| O19 | C17 | C18 | H12 | 115.4° | 120.0° |
| O19 | C17 | C18 | N20 | 70.0° | 65.0° |
| O19 | C17 | C13 | H6 | 71.2° | 55.0° |
| O19 | C17 | C13 | H7 | 48.5° | 175.0° |
| O19 | C17 | C18 | H13 | 174.3° | 175.0° |
| C3 | C4 | C8 | C15 | 114.3° | 152.0° |
| C3 | C4 | C8 | H4 | 124.9° | 86.9° |
| C3 | C4 | C8 | H5 | 6.5° | 30.8° |
| C17 | C13 | N10 | H6 | 120.2° | 120.0° |
| C17 | C13 | N10 | H7 | 120.2° | 119.9° |
| C13 | C17 | C18 | H12 | 117.6° | 120.1° |
| C13 | C17 | C18 | N20 | 163.0° | 175.0° |
| C17 | C13 | N10 | S9 | 116.7° | 95.0° |
| C17 | C13 | N10 | C14 | 85.9° | 85.1° |
| C17 | C13 | H6 | H7 | 119.5° | 120.0° |
| C13 | C17 | C18 | H13 | 47.3° | 55.0° |
| C13 | C17 | O19 | H14 | 180.0° | 60.0° |
| N10 | C13 | C17 | C18 | 63.4° | 175.0° |
| C13 | N10 | S9 | C14 | 157.6° | 179.9° |
| C13 | N10 | S9 | O12 | 166.7° | 20.1° |
| C13 | N10 | C14 | C15 | 83.9° | 148.0° |
| N10 | C13 | H6 | H7 | 119.5° | 120.0° |
| C13 | N10 | C14 | H8 | 36.7° | 92.1° |
| C13 | N10 | C14 | H9 | 155.5° | 28.2° |
| N10 | C13 | C17 | H12 | 54.0° | 55.0° |
| C17 | C18 | N20 | H13 | 115.1° | 120.0° |
| C17 | C18 | N20 | C28 | 87.9° | 155.0° |
| C18 | C17 | C13 | H6 | 56.7° | 64.9° |
| C18 | C17 | C13 | H7 | 176.4° | 55.0° |
| C18 | C17 | O19 | H14 | 48.6° | 60.0° |
| C17 | C18 | N20 | H15 | 92.1° | 25.0° |
| C17 | C18 | C21 | H16 | 58.7° | 65.0° |
| C17 | C18 | C21 | H17 | 60.9° | 55.0° |
| C18 | N20 | C28 | H15 | 180.0° | 180.0° |
| C18 | N20 | C28 | N29 | 179.0° | 180.0° |
| C18 | N20 | C28 | O30 | 4.1° | 0.0° |
| N20 | C18 | C17 | H12 | 45.4° | 55.0° |
| N20 | C18 | C21 | H16 | 176.1° | 55.1° |
| N20 | C18 | C21 | H17 | 64.2° | 175.0° |
| S9 | N10 | C14 | C15 | 73.4° | 32.2° |
| S9 | N10 | C13 | H6 | 3.4° | 144.9° |
| S9 | N10 | C13 | H7 | 123.1° | 24.9° |
| S9 | N10 | C14 | H8 | 165.9° | 87.7° |
| S9 | N10 | C14 | H9 | 47.2° | 152.0° |
| O12 | S9 | N10 | C14 | 35.7° | 159.7° |
| C4 | C8 | C15 | H4 | 120.8° | 121.2° |
| C4 | C8 | C15 | H5 | 120.8° | 121.2° |
| C4 | C8 | C15 | C14 | 85.3° | 92.4° |
| C4 | C8 | C15 | C16 | 157.6° | 147.5° |
| C8 | C4 | C3 | H2 | 0.8° | 5.2° |
| C4 | C8 | H4 | H5 | 117.6° | 117.8° |
| C4 | C8 | C15 | H10 | 37.3° | 27.7° |
| N20 | C28 | N29 | O30 | 176.8° | 180.0° |
| N20 | C28 | N29 | C31 | 173.0° | 180.0° |
| C28 | N20 | C18 | H13 | 27.1° | 35.0° |
| N20 | C28 | N29 | H23 | 7.0° | 0.0° |
| N10 | C14 | C15 | C8 | 69.9° | 63.6° |
| N10 | C14 | C15 | H8 | 120.6° | 119.9° |
| N10 | C14 | C15 | H9 | 120.7° | 119.8° |
| N10 | C14 | C15 | C16 | 172.9° | 176.2° |
| C14 | N10 | C13 | H6 | 153.9° | 34.9° |
| C14 | N10 | C13 | H7 | 34.3° | 155.0° |
| N10 | C14 | H8 | H9 | 118.0° | 120.2° |
| N10 | C14 | C15 | H10 | 52.8° | 56.4° |
| C8 | C15 | C14 | C16 | 117.2° | 120.1° |
| C8 | C15 | C14 | H10 | 122.7° | 120.1° |
| C8 | C15 | C16 | H10 | 120.3° | 119.8° |
| C8 | C15 | C16 | C34 | 79.2° | 63.3° |
| C8 | C15 | C16 | C35 | 160.3° | 176.7° |
| C15 | C8 | H4 | H5 | 117.6° | 117.8° |
| C8 | C15 | C14 | H8 | 169.5° | 176.4° |
| C8 | C15 | C14 | H9 | 50.7° | 56.1° |
| C8 | C15 | C16 | H11 | 41.2° | 56.7° |
| C28 | N29 | C31 | H23 | 180.0° | 180.0° |
| C28 | N29 | C31 | C36 | 172.9° | 60.0° |
| C28 | N29 | C31 | C32 | 66.5° | 180.0° |
| C28 | N29 | C31 | C33 | 55.9° | 60.0° |
| N29 | C28 | N20 | H15 | 1.0° | 0.0° |
| O30 | C28 | N29 | C31 | 3.8° | 0.0° |
| O30 | C28 | N20 | H15 | 175.9° | 180.0° |
| O30 | C28 | N29 | H23 | 176.2° | 180.0° |
| C14 | C15 | C16 | H10 | 120.0° | 119.8° |
| C14 | C15 | C16 | C34 | 161.1° | 176.3° |
| C14 | C15 | C16 | C35 | 40.7° | 56.3° |
| C14 | C15 | C8 | H4 | 35.5° | 28.8° |
| C14 | C15 | C8 | H5 | 153.9° | 146.4° |
| C15 | C14 | H8 | H9 | 118.0° | 120.2° |
| C14 | C15 | C16 | H11 | 78.4° | 63.6° |
| C15 | C16 | C34 | C35 | 124.0° | 120.0° |
| C15 | C16 | C34 | H11 | 120.4° | 120.0° |
| C15 | C16 | C35 | H11 | 118.9° | 119.9° |
| C16 | C15 | C8 | H4 | 81.6° | 91.3° |
| C16 | C15 | C8 | H5 | 36.8° | 26.3° |
| C16 | C15 | C14 | H8 | 52.2° | 56.3° |
| C16 | C15 | C14 | H9 | 66.5° | 64.0° |
| C15 | C16 | C34 | H30 | 180.0° | 53.9° |
| C15 | C16 | C34 | H31 | 60.0° | 174.0° |
| C15 | C16 | C34 | H32 | 60.0° | 66.1° |
| C15 | C16 | C35 | H33 | 180.0° | 60.0° |
| C15 | C16 | C35 | H34 | 60.0° | 180.0° |
| C15 | C16 | C35 | H35 | 60.0° | 60.0° |
| N29 | C31 | C36 | C32 | 121.7° | 120.0° |
| N29 | C31 | C36 | C33 | 119.4° | 120.0° |
| N29 | C31 | C32 | C33 | 123.6° | 120.0° |
| N29 | C31 | C32 | H24 | 180.0° | 60.0° |
| N29 | C31 | C32 | H25 | 60.0° | 180.0° |
| N29 | C31 | C32 | H26 | 60.0° | 60.0° |
| N29 | C31 | C33 | H27 | 180.0° | 60.0° |
| N29 | C31 | C33 | H28 | 60.0° | 180.0° |
| N29 | C31 | C33 | H29 | 60.0° | 60.0° |
| N29 | C31 | C36 | H36 | 180.0° | 60.0° |
| N29 | C31 | C36 | H37 | 60.0° | 180.0° |
| N29 | C31 | C36 | H38 | 60.0° | 60.0° |
| C34 | C16 | C35 | H11 | 115.5° | 120.1° |
| C34 | C16 | C15 | H10 | 41.1° | 56.5° |
| C16 | C34 | H30 | H31 | 120.0° | 120.0° |
| C16 | C34 | H30 | H32 | 120.1° | 120.0° |
| C16 | C34 | H31 | H32 | 120.0° | 120.0° |
| C34 | C16 | C35 | H33 | 54.4° | 179.9° |
| C34 | C16 | C35 | H34 | 65.5° | 60.0° |
| C34 | C16 | C35 | H35 | 174.5° | 60.0° |
| C35 | C16 | C15 | H10 | 79.3° | 63.5° |
| C35 | C16 | C34 | H30 | 56.0° | 66.0° |
| C35 | C16 | C34 | H31 | 176.0° | 54.0° |
| C35 | C16 | C34 | H32 | 64.0° | 173.9° |
| C16 | C35 | H33 | H34 | 120.0° | 120.0° |
| C16 | C35 | H33 | H35 | 120.0° | 120.0° |
| C16 | C35 | H34 | H35 | 120.0° | 120.0° |
| C36 | C31 | C32 | C33 | 117.9° | 120.0° |
| C36 | C31 | N29 | H23 | 7.1° | 120.0° |
| C36 | C31 | C32 | H24 | 61.5° | 180.0° |
| C36 | C31 | C32 | H25 | 58.5° | 60.0° |
| C36 | C31 | C32 | H26 | 178.4° | 60.0° |
| C36 | C31 | C33 | H27 | 63.7° | 60.0° |
| C36 | C31 | C33 | H28 | 176.4° | 60.0° |
| C36 | C31 | C33 | H29 | 56.4° | 180.0° |
| C31 | C36 | H36 | H37 | 120.0° | 120.1° |
| C31 | C36 | H36 | H38 | 120.0° | 120.0° |
| C31 | C36 | H37 | H38 | 120.0° | 120.0° |
| C32 | C31 | N29 | H23 | 113.5° | 0.0° |
| C31 | C32 | H24 | H25 | 120.0° | 120.0° |
| C31 | C32 | H24 | H26 | 120.0° | 119.9° |
| C31 | C32 | H25 | H26 | 120.0° | 119.9° |
| C32 | C31 | C33 | H27 | 55.9° | 180.0° |
| C32 | C31 | C33 | H28 | 64.0° | 60.0° |
| C32 | C31 | C33 | H29 | 176.0° | 60.0° |
| C32 | C31 | C36 | H36 | 58.3° | 60.0° |
| C32 | C31 | C36 | H37 | 178.3° | 60.0° |
| C32 | C31 | C36 | H38 | 61.7° | 180.0° |
| C33 | C31 | N29 | H23 | 124.1° | 120.0° |
| C33 | C31 | C32 | H24 | 56.4° | 60.0° |
| C33 | C31 | C32 | H25 | 176.4° | 60.0° |
| C33 | C31 | C32 | H26 | 63.6° | 180.0° |
| C31 | C33 | H27 | H28 | 120.0° | 120.0° |
| C31 | C33 | H27 | H29 | 120.0° | 120.0° |
| C31 | C33 | H28 | H29 | 120.0° | 120.0° |
| C33 | C31 | C36 | H36 | 60.6° | 180.0° |
| C33 | C31 | C36 | H37 | 59.4° | 59.9° |
| C33 | C31 | C36 | H38 | 179.4° | 60.0° |
| H1 | C1 | C6 | H3 | 0.3° | 0.1° |
| H4 | C8 | C15 | H10 | 158.1° | 148.9° |
| H5 | C8 | C15 | H10 | 83.4° | 93.5° |
| H6 | C13 | C17 | H12 | 174.2° | 175.1° |
| H7 | C13 | C17 | H12 | 66.1° | 65.0° |
| H8 | C14 | C15 | H10 | 67.8° | 63.5° |
| H9 | C14 | C15 | H10 | 173.5° | 176.2° |
| H10 | C15 | C16 | H11 | 161.6° | 176.5° |
| H11 | C16 | C34 | H30 | 59.6° | 173.9° |
| H11 | C16 | C34 | H31 | 60.4° | 66.0° |
| H11 | C16 | C34 | H32 | 179.7° | 53.9° |
| H11 | C16 | C35 | H33 | 61.1° | 60.0° |
| H11 | C16 | C35 | H34 | 178.9° | 60.1° |
| H11 | C16 | C35 | H35 | 58.9° | 180.0° |
| H12 | C17 | C18 | H13 | 70.3° | 65.0° |
| H12 | C17 | O19 | H14 | 66.1° | 180.0° |
| H13 | C18 | N20 | H15 | 152.9° | 145.0° |
| H13 | C18 | C21 | H16 | 59.3° | 175.0° |
| H13 | C18 | C21 | H17 | 179.0° | 65.1° |
| H18 | C23 | C24 | H19 | 0.2° | 0.0° |
| H19 | C24 | C25 | H20 | 0.7° | 0.1° |
| H20 | C25 | C26 | H21 | 0.3° | 0.4° |
| H21 | C26 | C27 | H22 | 1.0° | 0.6° |
| H24 | C32 | H25 | H26 | 120.0° | 120.0° |
| H27 | C33 | H28 | H29 | 120.0° | 120.1° |
| H30 | C34 | H31 | H32 | 120.0° | 120.0° |
| H33 | C35 | H34 | H35 | 120.0° | 120.0° |
| H36 | C36 | H37 | H38 | 120.0° | 120.0° |
