A1IDS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C25 | sing | 1.46Å | 1.46Å | |
| N1 | C32 | sing | 1.35Å | 1.34Å | |
| O2 | C3 | doub | 1.22Å | 1.22Å | |
| C3 | N4 | sing | 1.34Å | 1.34Å | |
| C3 | N11 | sing | 1.34Å | 1.34Å | |
| N4 | C5 | sing | 1.47Å | 1.45Å | |
| C5 | C6 | sing | 1.53Å | 1.55Å | |
| C5 | C10 | sing | 1.54Å | 1.56Å | |
| C6 | F7 | sing | 1.40Å | 1.34Å | |
| C6 | F8 | sing | 1.40Å | 1.35Å | |
| C6 | F9 | sing | 1.40Å | 1.35Å | |
| C10 | N11 | sing | 1.47Å | 1.46Å | |
| N11 | C12 | sing | 1.47Å | 1.47Å | |
| C12 | C13 | sing | 1.53Å | 1.55Å | |
| C12 | C16 | sing | 1.51Å | 1.54Å | |
| C13 | O14 | sing | 1.43Å | 1.44Å | |
| O14 | C15 | sing | 1.43Å | 1.44Å | |
| C16 | C17 | doub | 1.36Å | 1.35Å | Aromatic |
| C16 | C21 | sing | 1.40Å | 1.48Å | Aromatic |
| C17 | C18 | sing | 1.41Å | 1.47Å | Aromatic |
| C18 | N19 | sing | 1.37Å | 1.31Å | Aromatic |
| C18 | N24 | doub | 1.33Å | 1.26Å | Aromatic |
| N19 | N20 | sing | 1.40Å | 1.35Å | Aromatic |
| N19 | C22 | sing | 1.36Å | 1.31Å | Aromatic |
| N20 | C21 | doub | 1.31Å | 1.28Å | Aromatic |
| C22 | C23 | doub | 1.35Å | 1.36Å | Aromatic |
| C23 | N24 | sing | 1.33Å | 1.43Å | Aromatic |
| C23 | C25 | sing | 1.51Å | 1.50Å | |
| C25 | C26 | sing | 1.53Å | 1.56Å | |
| C26 | C27 | sing | 1.53Å | 1.56Å | |
| C26 | C31 | sing | 1.53Å | 1.55Å | |
| C27 | C28 | sing | 1.53Å | 1.55Å | |
| C28 | C29 | sing | 1.53Å | 1.55Å | |
| C29 | C30 | sing | 1.53Å | 1.55Å | |
| C29 | F38 | sing | 1.40Å | 1.35Å | |
| C29 | F39 | sing | 1.40Å | 1.37Å | |
| C30 | C31 | sing | 1.53Å | 1.55Å | |
| C32 | C33 | sing | 1.47Å | 1.47Å | |
| C32 | O34 | doub | 1.22Å | 1.22Å | |
| C33 | C35 | doub | 1.33Å | 1.34Å | |
| C33 | F36 | sing | 1.35Å | 1.33Å | |
| C35 | C41 | sing | 1.51Å | 1.51Å | |
| C37 | C40 | sing | 1.53Å | 1.54Å | |
| C37 | C41 | sing | 1.53Å | 1.55Å | |
| C40 | C41 | sing | 1.53Å | 1.56Å | |
| C41 | H1 | sing | 1.09Å | 1.10Å | |
| C12 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C17 | H8 | sing | 1.08Å | 1.08Å | |
| C21 | H9 | sing | 1.08Å | 1.08Å | |
| C22 | H10 | sing | 1.08Å | 1.08Å | |
| C25 | H11 | sing | 1.09Å | 1.10Å | |
| C26 | H12 | sing | 1.09Å | 1.10Å | |
| C27 | H13 | sing | 1.09Å | 1.10Å | |
| C27 | H14 | sing | 1.09Å | 1.10Å | |
| C28 | H15 | sing | 1.09Å | 1.10Å | |
| C28 | H16 | sing | 1.09Å | 1.10Å | |
| C30 | H17 | sing | 1.09Å | 1.10Å | |
| C30 | H18 | sing | 1.09Å | 1.10Å | |
| N1 | H19 | sing | 0.97Å | 1.00Å | |
| N4 | H20 | sing | 0.97Å | 1.00Å | |
| C5 | H21 | sing | 1.09Å | 1.10Å | |
| C10 | H22 | sing | 1.09Å | 1.10Å | |
| C10 | H23 | sing | 1.09Å | 1.10Å | |
| C31 | H24 | sing | 1.09Å | 1.10Å | |
| C31 | H25 | sing | 1.09Å | 1.10Å | |
| C35 | H26 | sing | 1.08Å | 1.08Å | |
| C37 | H27 | sing | 1.09Å | 1.10Å | |
| C37 | H28 | sing | 1.09Å | 1.10Å | |
| C40 | H29 | sing | 1.09Å | 1.10Å | |
| C40 | H30 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C25 | N1 | C32 | 120.4° | 120.0° |
| N1 | C25 | C23 | 113.4° | 109.5° |
| N1 | C25 | C26 | 110.2° | 109.4° |
| N1 | C25 | H11 | 107.8° | 109.5° |
| C25 | N1 | H19 | 119.8° | 120.0° |
| N1 | C32 | C33 | 116.1° | 120.0° |
| N1 | C32 | O34 | 122.6° | 120.0° |
| C32 | N1 | H19 | 119.8° | 120.0° |
| O2 | C3 | N4 | 125.2° | 123.0° |
| O2 | C3 | N11 | 125.3° | 123.0° |
| N4 | C3 | N11 | 109.6° | 113.9° |
| C3 | N4 | C5 | 112.9° | 109.2° |
| C3 | N4 | H20 | 123.5° | 125.4° |
| C3 | N11 | C10 | 112.6° | 109.2° |
| C3 | N11 | C12 | 121.0° | 125.4° |
| N4 | C5 | C6 | 109.2° | 110.6° |
| N4 | C5 | C10 | 102.5° | 103.8° |
| C5 | N4 | H20 | 123.6° | 125.4° |
| N4 | C5 | H21 | 113.4° | 110.6° |
| C6 | C5 | C10 | 107.5° | 110.5° |
| C5 | C6 | F7 | 113.2° | 109.4° |
| C5 | C6 | F8 | 112.3° | 109.5° |
| C5 | C6 | F9 | 108.8° | 109.5° |
| C6 | C5 | H21 | 111.9° | 110.5° |
| C5 | C10 | N11 | 102.4° | 103.9° |
| C10 | C5 | H21 | 111.8° | 110.7° |
| C5 | C10 | H22 | 111.2° | 110.6° |
| C5 | C10 | H23 | 111.2° | 110.6° |
| F7 | C6 | F8 | 106.1° | 109.5° |
| F7 | C6 | F9 | 106.1° | 109.5° |
| F8 | C6 | F9 | 110.2° | 109.4° |
| C10 | N11 | C12 | 126.2° | 125.5° |
| N11 | C10 | H22 | 111.2° | 110.5° |
| N11 | C10 | H23 | 111.2° | 110.5° |
| N11 | C12 | C13 | 113.6° | 109.4° |
| N11 | C12 | C16 | 105.4° | 109.5° |
| N11 | C12 | H2 | 109.5° | 109.5° |
| C13 | C12 | C16 | 111.1° | 109.5° |
| C12 | C13 | O14 | 110.0° | 109.5° |
| C13 | C12 | H2 | 108.5° | 109.5° |
| C12 | C13 | H3 | 109.3° | 109.5° |
| C12 | C13 | H4 | 109.3° | 109.5° |
| C12 | C16 | C17 | 125.2° | 119.9° |
| C12 | C16 | C21 | 117.7° | 119.9° |
| C16 | C12 | H2 | 108.6° | 109.5° |
| C13 | O14 | C15 | 111.8° | 114.0° |
| O14 | C13 | H3 | 109.4° | 109.5° |
| O14 | C13 | H4 | 109.4° | 109.5° |
| O14 | C15 | H5 | 109.5° | 109.5° |
| O14 | C15 | H6 | 109.5° | 109.5° |
| O14 | C15 | H7 | 109.5° | 109.4° |
| C17 | C16 | C21 | 117.0° | 120.1° |
| C16 | C17 | C18 | 117.6° | 119.1° |
| C16 | C17 | H8 | 121.2° | 120.4° |
| C16 | C21 | N20 | 121.9° | 120.9° |
| C16 | C21 | H9 | 119.1° | 119.5° |
| C17 | C18 | N19 | 120.1° | 119.2° |
| C17 | C18 | N24 | 129.1° | 132.8° |
| C18 | C17 | H8 | 121.2° | 120.4° |
| N19 | C18 | N24 | 110.7° | 108.1° |
| C18 | N19 | N20 | 122.4° | 120.0° |
| C18 | N19 | C22 | 109.4° | 107.0° |
| C18 | N24 | C23 | 108.1° | 109.0° |
| N20 | N19 | C22 | 128.2° | 133.0° |
| N19 | N20 | C21 | 120.9° | 120.6° |
| N19 | C22 | C23 | 108.6° | 107.2° |
| N19 | C22 | H10 | 125.7° | 126.4° |
| N20 | C21 | H9 | 119.1° | 119.6° |
| C22 | C23 | N24 | 103.2° | 108.7° |
| C22 | C23 | C25 | 128.7° | 125.7° |
| C23 | C22 | H10 | 125.7° | 126.4° |
| N24 | C23 | C25 | 128.0° | 125.7° |
| C23 | C25 | C26 | 111.1° | 109.5° |
| C23 | C25 | H11 | 107.4° | 109.5° |
| C25 | C26 | C27 | 114.5° | 109.4° |
| C25 | C26 | C31 | 110.6° | 109.5° |
| C26 | C25 | H11 | 106.6° | 109.5° |
| C25 | C26 | H12 | 106.4° | 109.5° |
| C27 | C26 | C31 | 112.0° | 109.5° |
| C26 | C27 | C28 | 110.8° | 109.4° |
| C27 | C26 | H12 | 106.4° | 109.5° |
| C26 | C27 | H13 | 109.1° | 109.4° |
| C26 | C27 | H14 | 109.1° | 109.5° |
| C26 | C31 | C30 | 109.7° | 109.5° |
| C31 | C26 | H12 | 106.4° | 109.5° |
| C26 | C31 | H24 | 109.4° | 109.5° |
| C26 | C31 | H25 | 109.4° | 109.5° |
| C27 | C28 | C29 | 109.7° | 109.5° |
| C28 | C27 | H13 | 109.1° | 109.5° |
| C28 | C27 | H14 | 109.1° | 109.5° |
| C27 | C28 | H15 | 109.4° | 109.5° |
| C27 | C28 | H16 | 109.4° | 109.5° |
| C28 | C29 | C30 | 111.7° | 109.4° |
| C28 | C29 | F38 | 108.2° | 109.5° |
| C28 | C29 | F39 | 109.7° | 109.5° |
| C29 | C28 | H15 | 109.4° | 109.5° |
| C29 | C28 | H16 | 109.4° | 109.4° |
| C30 | C29 | F38 | 107.6° | 109.4° |
| C30 | C29 | F39 | 109.7° | 109.5° |
| C29 | C30 | C31 | 107.5° | 109.4° |
| C29 | C30 | H17 | 110.0° | 109.5° |
| C29 | C30 | H18 | 110.0° | 109.5° |
| F38 | C29 | F39 | 109.9° | 109.5° |
| C31 | C30 | H17 | 110.0° | 109.5° |
| C31 | C30 | H18 | 109.9° | 109.4° |
| C30 | C31 | H24 | 109.4° | 109.5° |
| C30 | C31 | H25 | 109.4° | 109.4° |
| C33 | C32 | O34 | 121.3° | 120.0° |
| C32 | C33 | C35 | 128.5° | 120.0° |
| C32 | C33 | F36 | 114.6° | 120.0° |
| C35 | C33 | F36 | 116.8° | 120.0° |
| C33 | C35 | C41 | 128.5° | 120.0° |
| C33 | C35 | H26 | 115.8° | 120.0° |
| C35 | C41 | C37 | 113.6° | 117.5° |
| C35 | C41 | C40 | 115.8° | 117.5° |
| C35 | C41 | H1 | 118.7° | 115.6° |
| C41 | C35 | H26 | 115.7° | 120.0° |
| C40 | C37 | C41 | 60.4° | 60.0° |
| C37 | C40 | C41 | 60.0° | 60.0° |
| C40 | C37 | H27 | 120.0° | 117.5° |
| C40 | C37 | H28 | 119.9° | 117.5° |
| C37 | C40 | H29 | 120.0° | 117.5° |
| C37 | C40 | H30 | 120.0° | 117.5° |
| C37 | C41 | C40 | 59.6° | 60.0° |
| C37 | C41 | H1 | 117.8° | 117.5° |
| C41 | C37 | H27 | 119.9° | 117.5° |
| C41 | C37 | H28 | 119.9° | 117.5° |
| C40 | C41 | H1 | 117.7° | 117.4° |
| C41 | C40 | H29 | 120.0° | 117.6° |
| C41 | C40 | H30 | 120.0° | 117.5° |
| H3 | C13 | H4 | 109.5° | 109.4° |
| H5 | C15 | H6 | 109.5° | 109.6° |
| H5 | C15 | H7 | 109.5° | 109.5° |
| H6 | C15 | H7 | 109.4° | 109.4° |
| H13 | C27 | H14 | 109.5° | 109.5° |
| H15 | C28 | H16 | 109.4° | 109.4° |
| H17 | C30 | H18 | 109.5° | 109.5° |
| H22 | C10 | H23 | 109.5° | 110.6° |
| H24 | C31 | H25 | 109.5° | 109.5° |
| H27 | C37 | H28 | 109.5° | 115.5° |
| H29 | C40 | H30 | 109.5° | 115.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C25 | N1 | C32 | H19 | 180.0° | 179.9° |
| N1 | C25 | C23 | C22 | 143.3° | 5.1° |
| N1 | C25 | C23 | N24 | 42.0° | 175.0° |
| N1 | C25 | C23 | C26 | 124.8° | 120.0° |
| N1 | C25 | C23 | H11 | 118.9° | 120.0° |
| N1 | C25 | C26 | H11 | 116.7° | 120.0° |
| N1 | C25 | C26 | C27 | 179.7° | 60.0° |
| N1 | C25 | C26 | C31 | 52.6° | 60.0° |
| C25 | N1 | C32 | C33 | 178.2° | 180.0° |
| C25 | N1 | C32 | O34 | 0.2° | 0.0° |
| N1 | C25 | C26 | H12 | 62.6° | 180.0° |
| C32 | N1 | C25 | C23 | 93.1° | 155.0° |
| C32 | N1 | C25 | C26 | 141.5° | 85.0° |
| N1 | C32 | C33 | O34 | 178.4° | 180.0° |
| N1 | C32 | C33 | C35 | 156.7° | 174.2° |
| N1 | C32 | C33 | F36 | 19.2° | 5.8° |
| C32 | N1 | C25 | H11 | 25.6° | 34.9° |
| O2 | C3 | N4 | N11 | 178.7° | 179.7° |
| O2 | C3 | N4 | C5 | 177.0° | 179.7° |
| O2 | C3 | N11 | C10 | 179.3° | 179.8° |
| O2 | C3 | N11 | C12 | 4.8° | 0.3° |
| O2 | C3 | N4 | H20 | 3.0° | 0.2° |
| C3 | N4 | C5 | H20 | 180.0° | 179.9° |
| C3 | N4 | C5 | C6 | 110.8° | 118.6° |
| C3 | N4 | C5 | C10 | 3.0° | 0.0° |
| N4 | C3 | N11 | C10 | 0.6° | 0.0° |
| N4 | C3 | N11 | C12 | 173.9° | 180.0° |
| C3 | N4 | C5 | H21 | 123.7° | 118.7° |
| N11 | C3 | N4 | C5 | 1.7° | 0.0° |
| C3 | N11 | C10 | C5 | 2.4° | 0.0° |
| C3 | N11 | C10 | C12 | 174.1° | 179.9° |
| C3 | N11 | C12 | C13 | 132.7° | 125.5° |
| C3 | N11 | C12 | C16 | 105.4° | 114.5° |
| C3 | N11 | C12 | H2 | 11.2° | 5.5° |
| N11 | C3 | N4 | H20 | 178.3° | 179.9° |
| C3 | N11 | C10 | H22 | 121.2° | 118.6° |
| C3 | N11 | C10 | H23 | 116.5° | 118.7° |
| N4 | C5 | C6 | C10 | 110.5° | 114.4° |
| N4 | C5 | C6 | H21 | 126.4° | 122.7° |
| N4 | C5 | C10 | H21 | 121.8° | 118.7° |
| N4 | C5 | C6 | F7 | 63.4° | 61.5° |
| N4 | C5 | C6 | F8 | 56.7° | 178.5° |
| N4 | C5 | C6 | F9 | 179.0° | 58.5° |
| N4 | C5 | C10 | N11 | 3.0° | 0.0° |
| N4 | C5 | C10 | H22 | 121.9° | 118.6° |
| N4 | C5 | C10 | H23 | 115.8° | 118.6° |
| C6 | C5 | C10 | H21 | 123.2° | 122.8° |
| C5 | C6 | F7 | F8 | 123.6° | 120.0° |
| C5 | C6 | F7 | F9 | 119.2° | 120.0° |
| C5 | C6 | F8 | F9 | 121.5° | 120.0° |
| C6 | C5 | C10 | N11 | 112.0° | 118.6° |
| C6 | C5 | N4 | H20 | 69.3° | 61.5° |
| C6 | C5 | C10 | H22 | 6.8° | 0.0° |
| C6 | C5 | C10 | H23 | 129.1° | 122.8° |
| C10 | C5 | C6 | F7 | 47.1° | 175.9° |
| C10 | C5 | C6 | F8 | 167.2° | 64.1° |
| C10 | C5 | C6 | F9 | 70.5° | 55.9° |
| C5 | C10 | N11 | H22 | 118.9° | 118.6° |
| C5 | C10 | N11 | H23 | 118.9° | 118.6° |
| C5 | C10 | N11 | C12 | 171.8° | 180.0° |
| C10 | C5 | N4 | H20 | 177.0° | 180.0° |
| C5 | C10 | H22 | H23 | 123.3° | 122.8° |
| F7 | C6 | F8 | F9 | 114.4° | 120.0° |
| F7 | C6 | C5 | H21 | 170.2° | 61.3° |
| F8 | C6 | C5 | H21 | 69.7° | 58.8° |
| F9 | C6 | C5 | H21 | 52.6° | 178.7° |
| C10 | N11 | C12 | C13 | 53.6° | 54.5° |
| C10 | N11 | C12 | C16 | 68.2° | 65.4° |
| C10 | N11 | C12 | H2 | 175.1° | 174.6° |
| N11 | C10 | C5 | H21 | 124.8° | 118.6° |
| N11 | C10 | H22 | H23 | 123.3° | 122.7° |
| N11 | C12 | C13 | C16 | 118.6° | 120.0° |
| N11 | C12 | C13 | H2 | 122.1° | 120.0° |
| N11 | C12 | C16 | H2 | 117.3° | 120.0° |
| N11 | C12 | C13 | O14 | 180.0° | 65.0° |
| N11 | C12 | C16 | C17 | 103.8° | 122.3° |
| N11 | C12 | C16 | C21 | 71.3° | 57.4° |
| N11 | C12 | C13 | H3 | 60.0° | 55.0° |
| N11 | C12 | C13 | H4 | 59.9° | 175.0° |
| C12 | N11 | C10 | H22 | 52.9° | 61.3° |
| C12 | N11 | C10 | H23 | 69.4° | 61.4° |
| C13 | C12 | C16 | H2 | 119.3° | 120.1° |
| C12 | C13 | O14 | H3 | 120.1° | 120.0° |
| C12 | C13 | O14 | H4 | 120.1° | 120.0° |
| C12 | C13 | O14 | C15 | 173.7° | 180.0° |
| C13 | C12 | C16 | C17 | 19.6° | 117.7° |
| C13 | C12 | C16 | C21 | 165.2° | 62.5° |
| C12 | C13 | H3 | H4 | 119.7° | 119.9° |
| C16 | C12 | C13 | O14 | 61.4° | 55.0° |
| C12 | C16 | C17 | C21 | 175.2° | 179.7° |
| C12 | C16 | C17 | C18 | 177.2° | 180.0° |
| C12 | C16 | C21 | N20 | 173.6° | 180.0° |
| C16 | C12 | C13 | H3 | 58.7° | 175.0° |
| C16 | C12 | C13 | H4 | 178.5° | 65.1° |
| C12 | C16 | C17 | H8 | 2.8° | 0.1° |
| C12 | C16 | C21 | H9 | 6.4° | 0.0° |
| O14 | C13 | C12 | H2 | 57.9° | 175.0° |
| O14 | C13 | H3 | H4 | 119.8° | 120.0° |
| C13 | O14 | C15 | H5 | 180.0° | 60.0° |
| C13 | O14 | C15 | H6 | 60.0° | 60.0° |
| C13 | O14 | C15 | H7 | 60.0° | 180.0° |
| C15 | O14 | C13 | H3 | 53.6° | 60.0° |
| C15 | O14 | C13 | H4 | 66.2° | 60.0° |
| O14 | C15 | H5 | H6 | 120.0° | 120.0° |
| O14 | C15 | H5 | H7 | 120.0° | 120.0° |
| O14 | C15 | H6 | H7 | 120.0° | 119.9° |
| C16 | C17 | C18 | H8 | 180.0° | 180.0° |
| C16 | C17 | C18 | N19 | 4.6° | 0.0° |
| C16 | C17 | C18 | N24 | 179.2° | 180.0° |
| C17 | C16 | C21 | N20 | 1.9° | 0.2° |
| C17 | C16 | C12 | H2 | 138.9° | 2.3° |
| C17 | C16 | C21 | H9 | 178.1° | 179.7° |
| C21 | C16 | C17 | C18 | 2.0° | 0.2° |
| C16 | C21 | N20 | N19 | 3.5° | 0.0° |
| C16 | C21 | N20 | H9 | 180.0° | 179.9° |
| C21 | C16 | C12 | H2 | 46.0° | 177.4° |
| C21 | C16 | C17 | H8 | 177.9° | 179.8° |
| C17 | C18 | N19 | N24 | 176.9° | 180.0° |
| C17 | C18 | N19 | N20 | 3.3° | 0.2° |
| C17 | C18 | N19 | C22 | 179.1° | 180.0° |
| C17 | C18 | N24 | C23 | 178.2° | 180.0° |
| C18 | N19 | N20 | C22 | 177.1° | 179.7° |
| C18 | N19 | N20 | C21 | 0.8° | 0.3° |
| C18 | N19 | C22 | C23 | 1.7° | 0.0° |
| N19 | C18 | N24 | C23 | 1.7° | 0.0° |
| N19 | C18 | C17 | H8 | 175.4° | 180.0° |
| C18 | N19 | C22 | H10 | 178.3° | 179.9° |
| N24 | C18 | N19 | N20 | 179.8° | 179.7° |
| N24 | C18 | N19 | C22 | 2.2° | 0.0° |
| C18 | N24 | C23 | C22 | 0.7° | 0.1° |
| C18 | N24 | C23 | C25 | 175.1° | 180.0° |
| N24 | C18 | C17 | H8 | 0.9° | 0.1° |
| N20 | N19 | C22 | C23 | 179.1° | 179.7° |
| N19 | N20 | C21 | H9 | 176.5° | 180.0° |
| N20 | N19 | C22 | H10 | 0.9° | 0.4° |
| C22 | N19 | N20 | C21 | 176.4° | 179.9° |
| N19 | C22 | C23 | H10 | 180.0° | 179.9° |
| N19 | C22 | C23 | N24 | 0.6° | 0.1° |
| N19 | C22 | C23 | C25 | 176.4° | 180.0° |
| C22 | C23 | N24 | C25 | 175.8° | 179.9° |
| C22 | C23 | C25 | C26 | 91.9° | 125.0° |
| C22 | C23 | C25 | H11 | 24.4° | 115.0° |
| N24 | C23 | C25 | C26 | 82.8° | 55.0° |
| N24 | C23 | C22 | H10 | 179.4° | 180.0° |
| N24 | C23 | C25 | H11 | 160.9° | 64.9° |
| C23 | C25 | C26 | H11 | 116.7° | 120.0° |
| C23 | C25 | C26 | C27 | 53.1° | 180.0° |
| C23 | C25 | C26 | C31 | 179.3° | 60.0° |
| C25 | C23 | C22 | H10 | 3.7° | 0.1° |
| C23 | C25 | C26 | H12 | 64.1° | 60.0° |
| C23 | C25 | N1 | H19 | 86.9° | 24.9° |
| C25 | C26 | C27 | C31 | 126.9° | 120.0° |
| C25 | C26 | C27 | H12 | 117.2° | 120.0° |
| C25 | C26 | C31 | H12 | 115.2° | 120.0° |
| C25 | C26 | C27 | C28 | 179.0° | 180.0° |
| C25 | C26 | C31 | C30 | 173.1° | 180.0° |
| C25 | C26 | C27 | H13 | 58.8° | 60.1° |
| C25 | C26 | C27 | H14 | 60.8° | 60.0° |
| C26 | C25 | N1 | H19 | 38.4° | 95.1° |
| C25 | C26 | C31 | H24 | 66.9° | 60.0° |
| C25 | C26 | C31 | H25 | 53.0° | 60.0° |
| C27 | C26 | C31 | H12 | 115.9° | 120.0° |
| C26 | C27 | C28 | H13 | 120.2° | 119.9° |
| C26 | C27 | C28 | H14 | 120.2° | 120.0° |
| C26 | C27 | C28 | C29 | 53.5° | 60.1° |
| C27 | C26 | C31 | C30 | 58.0° | 60.0° |
| C27 | C26 | C25 | H11 | 63.6° | 60.0° |
| C26 | C27 | H13 | H14 | 119.4° | 120.0° |
| C26 | C27 | C28 | H15 | 66.6° | 60.0° |
| C26 | C27 | C28 | H16 | 173.5° | 180.0° |
| C27 | C26 | C31 | H24 | 62.1° | 59.9° |
| C27 | C26 | C31 | H25 | 178.0° | 180.0° |
| C31 | C26 | C27 | C28 | 54.1° | 60.0° |
| C26 | C31 | C30 | C29 | 60.4° | 60.0° |
| C26 | C31 | C30 | H24 | 120.0° | 120.0° |
| C26 | C31 | C30 | H25 | 120.0° | 120.0° |
| C31 | C26 | C25 | H11 | 64.0° | 180.0° |
| C31 | C26 | C27 | H13 | 174.3° | 180.0° |
| C31 | C26 | C27 | H14 | 66.1° | 60.0° |
| C26 | C31 | C30 | H17 | 59.3° | 60.0° |
| C26 | C31 | C30 | H18 | 179.9° | 180.0° |
| C26 | C31 | H24 | H25 | 119.9° | 120.0° |
| C27 | C28 | C29 | H15 | 120.1° | 120.1° |
| C27 | C28 | C29 | H16 | 120.1° | 120.0° |
| C27 | C28 | C29 | C30 | 59.2° | 60.1° |
| C27 | C28 | C29 | F38 | 177.5° | 180.0° |
| C27 | C28 | C29 | F39 | 62.7° | 60.0° |
| C28 | C27 | C26 | H12 | 61.8° | 60.0° |
| C28 | C27 | H13 | H14 | 119.4° | 120.1° |
| C27 | C28 | H15 | H16 | 119.9° | 120.0° |
| C28 | C29 | C30 | F38 | 118.7° | 120.0° |
| C28 | C29 | C30 | F39 | 121.8° | 120.0° |
| C28 | C29 | F38 | F39 | 119.7° | 120.0° |
| C28 | C29 | C30 | C31 | 62.4° | 60.0° |
| C29 | C28 | C27 | H13 | 173.7° | 180.0° |
| C29 | C28 | C27 | H14 | 66.7° | 59.9° |
| C29 | C28 | H15 | H16 | 119.9° | 119.9° |
| C28 | C29 | C30 | H17 | 57.3° | 60.0° |
| C28 | C29 | C30 | H18 | 177.9° | 180.0° |
| C30 | C29 | F38 | F39 | 119.4° | 120.0° |
| C29 | C30 | C31 | H17 | 119.7° | 120.0° |
| C29 | C30 | C31 | H18 | 119.7° | 120.0° |
| C30 | C29 | C28 | H15 | 60.9° | 60.0° |
| C30 | C29 | C28 | H16 | 179.2° | 180.0° |
| C29 | C30 | H17 | H18 | 120.9° | 120.1° |
| C29 | C30 | C31 | H24 | 59.6° | 60.0° |
| C29 | C30 | C31 | H25 | 179.5° | 180.0° |
| F38 | C29 | C30 | C31 | 179.0° | 180.0° |
| F38 | C29 | C28 | H15 | 57.4° | 59.9° |
| F38 | C29 | C28 | H16 | 62.5° | 60.0° |
| F38 | C29 | C30 | H17 | 61.3° | 60.0° |
| F38 | C29 | C30 | H18 | 59.3° | 60.0° |
| F39 | C29 | C30 | C31 | 59.4° | 60.0° |
| F39 | C29 | C28 | H15 | 177.3° | 180.0° |
| F39 | C29 | C28 | H16 | 57.4° | 60.0° |
| F39 | C29 | C30 | H17 | 179.1° | 180.0° |
| F39 | C29 | C30 | H18 | 60.3° | 60.0° |
| C30 | C31 | C26 | H12 | 57.9° | 60.0° |
| C31 | C30 | H17 | H18 | 120.9° | 120.0° |
| C30 | C31 | H24 | H25 | 119.9° | 120.0° |
| C32 | C33 | C35 | F36 | 175.8° | 180.0° |
| C32 | C33 | C35 | C41 | 0.2° | 7.2° |
| C33 | C32 | N1 | H19 | 1.7° | 0.1° |
| C32 | C33 | C35 | H26 | 179.8° | 172.8° |
| O34 | C32 | C33 | C35 | 24.8° | 5.9° |
| O34 | C32 | C33 | F36 | 159.3° | 174.1° |
| O34 | C32 | N1 | H19 | 179.8° | 180.0° |
| C33 | C35 | C41 | H26 | 180.0° | 180.0° |
| C33 | C35 | C41 | C37 | 172.4° | 112.7° |
| C33 | C35 | C41 | C40 | 121.3° | 178.7° |
| C33 | C35 | C41 | H1 | 27.4° | 33.0° |
| F36 | C33 | C35 | C41 | 175.6° | 172.8° |
| F36 | C33 | C35 | H26 | 4.4° | 7.2° |
| C35 | C41 | C40 | C37 | 103.4° | 107.5° |
| C35 | C41 | C37 | H1 | 145.4° | 145.0° |
| C35 | C41 | C40 | H1 | 149.0° | 145.0° |
| C35 | C41 | C37 | H27 | 143.3° | 0.0° |
| C35 | C41 | C37 | H28 | 2.4° | 145.0° |
| C35 | C41 | C40 | H29 | 6.1° | 145.0° |
| C35 | C41 | C40 | H30 | 147.1° | 0.0° |
| C40 | C37 | C41 | H27 | 109.6° | 107.5° |
| C40 | C37 | C41 | H28 | 109.6° | 107.5° |
| C37 | C40 | C41 | H29 | 109.5° | 107.5° |
| C37 | C40 | C41 | H30 | 109.5° | 107.5° |
| C40 | C37 | C41 | H1 | 107.5° | 107.4° |
| C40 | C37 | H27 | H28 | 144.6° | 145.7° |
| C37 | C40 | H29 | H30 | 144.7° | 145.7° |
| C37 | C41 | C35 | H26 | 7.6° | 67.3° |
| C41 | C37 | H27 | H28 | 144.5° | 145.6° |
| C40 | C41 | C35 | H26 | 58.7° | 1.3° |
| C41 | C40 | H29 | H30 | 144.8° | 145.7° |
| H1 | C41 | C35 | H26 | 152.6° | 147.0° |
| H1 | C41 | C37 | H27 | 2.1° | 145.0° |
| H1 | C41 | C37 | H28 | 142.9° | 0.1° |
| H1 | C41 | C40 | H29 | 142.9° | 0.0° |
| H1 | C41 | C40 | H30 | 1.9° | 145.0° |
| H2 | C12 | C13 | H3 | 178.0° | 65.0° |
| H2 | C12 | C13 | H4 | 62.2° | 55.0° |
| H5 | C15 | H6 | H7 | 120.0° | 120.0° |
| H11 | C25 | C26 | H12 | 179.2° | 60.0° |
| H11 | C25 | N1 | H19 | 154.4° | 145.0° |
| H12 | C26 | C27 | H13 | 58.4° | 59.9° |
| H12 | C26 | C27 | H14 | 178.0° | 180.0° |
| H12 | C26 | C31 | H24 | 177.9° | 180.0° |
| H12 | C26 | C31 | H25 | 62.2° | 59.9° |
| H13 | C27 | C28 | H15 | 53.6° | 59.9° |
| H13 | C27 | C28 | H16 | 66.3° | 60.1° |
| H14 | C27 | C28 | H15 | 173.2° | 180.0° |
| H14 | C27 | C28 | H16 | 53.3° | 60.0° |
| H17 | C30 | C31 | H24 | 179.3° | 180.0° |
| H17 | C30 | C31 | H25 | 60.8° | 60.0° |
| H18 | C30 | C31 | H24 | 60.1° | 60.0° |
| H18 | C30 | C31 | H25 | 59.8° | 60.0° |
| H20 | N4 | C5 | H21 | 56.3° | 61.2° |
| H21 | C5 | C10 | H22 | 116.3° | 122.8° |
| H21 | C5 | C10 | H23 | 6.0° | 0.0° |
| H27 | C37 | C40 | H29 | 140.9° | 145.0° |
| H27 | C37 | C40 | H30 | 0.1° | 0.0° |
| H28 | C37 | C40 | H29 | 0.0° | 0.1° |
| H28 | C37 | C40 | H30 | 141.0° | 145.1° |
