9KI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | N11 | sing | 1.47Å | 1.46Å | |
| C12 | C13 | sing | 1.53Å | 1.62Å | |
| O22 | C23 | sing | 1.45Å | 1.43Å | |
| O22 | C21 | sing | 1.35Å | 1.40Å | |
| N03 | C04 | doub | 1.31Å | 1.33Å | Aromatic |
| N03 | N02 | sing | 1.40Å | 1.38Å | Aromatic |
| N14 | C13 | sing | 1.47Å | 1.59Å | |
| N14 | C15 | sing | 1.38Å | 1.47Å | |
| N14 | C35 | sing | 1.47Å | 1.46Å | |
| C04 | C05 | sing | 1.41Å | 1.40Å | Aromatic |
| C36 | N11 | sing | 1.47Å | 1.60Å | |
| C36 | C35 | sing | 1.53Å | 1.60Å | |
| C01 | N02 | sing | 1.47Å | 1.44Å | |
| N11 | C10 | sing | 1.38Å | 1.48Å | |
| N02 | C41 | sing | 1.35Å | 1.31Å | Aromatic |
| C40 | C06 | sing | 1.40Å | 1.38Å | Aromatic |
| C40 | C09 | doub | 1.38Å | 1.42Å | Aromatic |
| C05 | C41 | doub | 1.36Å | 1.38Å | Aromatic |
| C05 | C06 | sing | 1.49Å | 1.57Å | |
| N34 | C15 | doub | 1.32Å | 1.34Å | Aromatic |
| N34 | C33 | sing | 1.32Å | 1.33Å | Aromatic |
| C06 | C07 | doub | 1.38Å | 1.36Å | Aromatic |
| C15 | N16 | sing | 1.33Å | 1.32Å | Aromatic |
| C10 | C09 | sing | 1.41Å | 1.43Å | Aromatic |
| C10 | N37 | doub | 1.32Å | 1.32Å | Aromatic |
| C09 | N08 | sing | 1.38Å | 1.31Å | Aromatic |
| N37 | C38 | sing | 1.33Å | 1.37Å | Aromatic |
| C21 | N20 | sing | 1.35Å | 1.49Å | |
| C21 | O24 | doub | 1.21Å | 1.16Å | |
| C07 | N08 | sing | 1.35Å | 1.39Å | Aromatic |
| C33 | C18 | doub | 1.39Å | 1.42Å | Aromatic |
| N20 | C19 | sing | 1.46Å | 1.47Å | |
| N08 | N39 | sing | 1.40Å | 1.36Å | Aromatic |
| N16 | C17 | doub | 1.32Å | 1.35Å | Aromatic |
| C38 | N39 | doub | 1.30Å | 1.36Å | Aromatic |
| C18 | C17 | sing | 1.39Å | 1.38Å | Aromatic |
| C18 | C19 | sing | 1.51Å | 1.55Å | |
| C19 | C25 | sing | 1.53Å | 1.52Å | |
| C19 | C26 | sing | 1.51Å | 1.50Å | |
| C32 | C26 | doub | 1.38Å | 1.42Å | Aromatic |
| C32 | C31 | sing | 1.38Å | 1.37Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.36Å | Aromatic |
| C31 | C29 | doub | 1.38Å | 1.37Å | Aromatic |
| C27 | C28 | doub | 1.38Å | 1.38Å | Aromatic |
| C29 | C28 | sing | 1.39Å | 1.41Å | Aromatic |
| C29 | F30 | sing | 1.35Å | 1.38Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.08Å | 1.08Å | |
| C28 | H4 | sing | 1.08Å | 1.08Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C01 | H7 | sing | 1.09Å | 1.10Å | |
| C04 | H8 | sing | 1.08Å | 1.08Å | |
| C07 | H9 | sing | 1.08Å | 1.08Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C23 | H12 | sing | 1.09Å | 1.10Å | |
| C23 | H13 | sing | 1.09Å | 1.10Å | |
| C23 | H14 | sing | 1.09Å | 1.10Å | |
| C25 | 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 | |
| C31 | H19 | sing | 1.08Å | 1.08Å | |
| C32 | H20 | sing | 1.08Å | 1.08Å | |
| C33 | H21 | sing | 1.08Å | 1.08Å | |
| C35 | H22 | sing | 1.09Å | 1.10Å | |
| C35 | H23 | sing | 1.09Å | 1.10Å | |
| C36 | H24 | sing | 1.09Å | 1.10Å | |
| C36 | H25 | sing | 1.09Å | 1.10Å | |
| C38 | H26 | sing | 1.08Å | 1.08Å | |
| C40 | H27 | sing | 1.08Å | 1.08Å | |
| C41 | H28 | sing | 1.08Å | 1.08Å | |
| N20 | H29 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N11 | C12 | C13 | 112.9° | 108.5° |
| C12 | N11 | C36 | 116.6° | 118.2° |
| C12 | N11 | C10 | 119.4° | 120.9° |
| N11 | C12 | H10 | 108.6° | 109.6° |
| N11 | C12 | H11 | 108.6° | 109.7° |
| C12 | C13 | N14 | 113.5° | 109.4° |
| C12 | C13 | H1 | 108.5° | 109.5° |
| C12 | C13 | H2 | 108.5° | 109.5° |
| C13 | C12 | H10 | 108.6° | 109.6° |
| C13 | C12 | H11 | 108.6° | 109.6° |
| C23 | O22 | C21 | 112.9° | 117.0° |
| O22 | C23 | H12 | 109.5° | 109.4° |
| O22 | C23 | H13 | 109.5° | 109.4° |
| O22 | C23 | H14 | 109.4° | 109.5° |
| O22 | C21 | N20 | 119.2° | 120.0° |
| O22 | C21 | O24 | 119.6° | 120.0° |
| C04 | N03 | N02 | 107.4° | 108.5° |
| N03 | C04 | C05 | 107.1° | 108.1° |
| N03 | C04 | H8 | 126.4° | 126.0° |
| N03 | N02 | C01 | 124.9° | 125.9° |
| N03 | N02 | C41 | 110.5° | 108.2° |
| C13 | N14 | C15 | 112.0° | 111.0° |
| C13 | N14 | C35 | 113.6° | 111.3° |
| N14 | C13 | H1 | 108.4° | 109.5° |
| N14 | C13 | H2 | 108.4° | 109.5° |
| C15 | N14 | C35 | 112.1° | 111.0° |
| N14 | C15 | N34 | 118.8° | 119.2° |
| N14 | C15 | N16 | 117.5° | 119.2° |
| N14 | C35 | C36 | 113.0° | 109.3° |
| N14 | C35 | H22 | 108.6° | 109.5° |
| N14 | C35 | H23 | 108.6° | 109.6° |
| C04 | C05 | C41 | 107.7° | 107.6° |
| C04 | C05 | C06 | 127.0° | 126.2° |
| C05 | C04 | H8 | 126.4° | 125.9° |
| N11 | C36 | C35 | 113.5° | 108.5° |
| C36 | N11 | C10 | 124.0° | 120.9° |
| N11 | C36 | H24 | 108.5° | 109.7° |
| N11 | C36 | H25 | 108.4° | 109.6° |
| C36 | C35 | H22 | 108.6° | 109.5° |
| C36 | C35 | H23 | 108.6° | 109.5° |
| C35 | C36 | H24 | 108.5° | 109.6° |
| C35 | C36 | H25 | 108.5° | 109.6° |
| C01 | N02 | C41 | 124.6° | 126.0° |
| N02 | C01 | H5 | 109.5° | 109.4° |
| N02 | C01 | H6 | 109.5° | 109.5° |
| N02 | C01 | H7 | 109.5° | 109.4° |
| N11 | C10 | C09 | 122.4° | 120.4° |
| N11 | C10 | N37 | 117.5° | 120.4° |
| N02 | C41 | C05 | 107.2° | 107.6° |
| N02 | C41 | H28 | 126.4° | 126.2° |
| C06 | C40 | C09 | 107.7° | 106.9° |
| C40 | C06 | C05 | 127.4° | 126.3° |
| C40 | C06 | C07 | 107.3° | 107.4° |
| C06 | C40 | H27 | 126.2° | 126.6° |
| C40 | C09 | C10 | 134.4° | 133.4° |
| C40 | C09 | N08 | 107.0° | 108.0° |
| C09 | C40 | H27 | 126.1° | 126.6° |
| C41 | C05 | C06 | 125.3° | 126.2° |
| C05 | C41 | H28 | 126.4° | 126.2° |
| C05 | C06 | C07 | 125.3° | 126.3° |
| C15 | N34 | C33 | 119.5° | 120.7° |
| N34 | C15 | N16 | 123.6° | 121.6° |
| N34 | C33 | C18 | 118.2° | 119.2° |
| N34 | C33 | H21 | 120.9° | 120.4° |
| C06 | C07 | N08 | 107.9° | 108.8° |
| C06 | C07 | H9 | 126.1° | 125.6° |
| C15 | N16 | C17 | 120.4° | 120.8° |
| C09 | C10 | N37 | 120.1° | 119.2° |
| C10 | C09 | N08 | 118.6° | 118.5° |
| C10 | N37 | C38 | 120.3° | 121.6° |
| C09 | N08 | C07 | 110.0° | 108.9° |
| C09 | N08 | N39 | 121.6° | 118.3° |
| N37 | C38 | N39 | 119.4° | 122.2° |
| N37 | C38 | H26 | 120.3° | 118.9° |
| N20 | C21 | O24 | 121.2° | 120.0° |
| C21 | N20 | C19 | 123.7° | 120.0° |
| C21 | N20 | H29 | 118.2° | 120.0° |
| C07 | N08 | N39 | 128.4° | 132.9° |
| N08 | C07 | H9 | 126.0° | 125.6° |
| C33 | C18 | C17 | 120.4° | 118.6° |
| C33 | C18 | C19 | 120.0° | 120.7° |
| C18 | C33 | H21 | 120.9° | 120.5° |
| N20 | C19 | C18 | 107.5° | 109.5° |
| N20 | C19 | C25 | 113.1° | 109.5° |
| N20 | C19 | C26 | 110.0° | 109.5° |
| C19 | N20 | H29 | 118.2° | 120.0° |
| N08 | N39 | C38 | 120.0° | 120.1° |
| N16 | C17 | C18 | 117.8° | 119.2° |
| N16 | C17 | H3 | 121.1° | 120.4° |
| N39 | C38 | H26 | 120.3° | 118.9° |
| C17 | C18 | C19 | 119.6° | 120.7° |
| C18 | C17 | H3 | 121.1° | 120.4° |
| C18 | C19 | C25 | 107.4° | 109.5° |
| C18 | C19 | C26 | 108.3° | 109.5° |
| C25 | C19 | C26 | 110.4° | 109.5° |
| C19 | C25 | H15 | 109.5° | 109.4° |
| C19 | C25 | H16 | 109.5° | 109.5° |
| C19 | C25 | H17 | 109.5° | 109.5° |
| C19 | C26 | C32 | 120.3° | 119.9° |
| C19 | C26 | C27 | 119.5° | 120.0° |
| C26 | C32 | C31 | 120.0° | 120.0° |
| C32 | C26 | C27 | 120.2° | 120.1° |
| C26 | C32 | H20 | 120.0° | 120.0° |
| C32 | C31 | C29 | 119.7° | 120.0° |
| C32 | C31 | H19 | 120.1° | 120.0° |
| C31 | C32 | H20 | 120.0° | 120.0° |
| C26 | C27 | C28 | 119.9° | 120.0° |
| C26 | C27 | H18 | 120.1° | 120.0° |
| C31 | C29 | C28 | 120.3° | 119.9° |
| C31 | C29 | F30 | 120.2° | 120.0° |
| C29 | C31 | H19 | 120.2° | 120.0° |
| C27 | C28 | C29 | 120.0° | 120.0° |
| C27 | C28 | H4 | 120.0° | 120.0° |
| C28 | C27 | H18 | 120.1° | 120.0° |
| C28 | C29 | F30 | 119.5° | 120.0° |
| C29 | C28 | H4 | 120.0° | 120.0° |
| H1 | C13 | H2 | 109.5° | 109.4° |
| H5 | C01 | H6 | 109.5° | 109.5° |
| H5 | C01 | H7 | 109.5° | 109.4° |
| H6 | C01 | H7 | 109.4° | 109.5° |
| H10 | C12 | H11 | 109.5° | 109.8° |
| H12 | C23 | H13 | 109.5° | 109.5° |
| H12 | C23 | H14 | 109.4° | 109.5° |
| H13 | C23 | H14 | 109.5° | 109.5° |
| H15 | C25 | H16 | 109.5° | 109.5° |
| H15 | C25 | H17 | 109.5° | 109.5° |
| H16 | C25 | H17 | 109.5° | 109.4° |
| H22 | C35 | H23 | 109.5° | 109.5° |
| H24 | C36 | H25 | 109.5° | 109.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N11 | C12 | C13 | H10 | 120.5° | 119.7° |
| N11 | C12 | C13 | H11 | 120.5° | 119.8° |
| N11 | C12 | C13 | N14 | 46.2° | 53.8° |
| C12 | N11 | C36 | C10 | 178.2° | 180.0° |
| C12 | N11 | C36 | C35 | 43.8° | 51.2° |
| C12 | N11 | C10 | C09 | 157.0° | 156.8° |
| C12 | N11 | C10 | N37 | 20.5° | 23.0° |
| N11 | C12 | C13 | H1 | 166.8° | 173.8° |
| N11 | C12 | C13 | H2 | 74.3° | 66.2° |
| N11 | C12 | H10 | H11 | 118.4° | 120.5° |
| C12 | N11 | C36 | H24 | 164.4° | 68.5° |
| C12 | N11 | C36 | H25 | 76.8° | 170.9° |
| C12 | C13 | N14 | H1 | 120.6° | 120.0° |
| C12 | C13 | N14 | H2 | 120.6° | 120.0° |
| C12 | C13 | N14 | C15 | 179.5° | 172.8° |
| C12 | C13 | N14 | C35 | 51.2° | 63.0° |
| C13 | C12 | N11 | C36 | 43.4° | 51.2° |
| C13 | C12 | N11 | C10 | 138.3° | 128.8° |
| C12 | C13 | H1 | H2 | 118.2° | 120.0° |
| C13 | C12 | H10 | H11 | 118.5° | 120.4° |
| C23 | O22 | C21 | N20 | 159.1° | 180.0° |
| C23 | O22 | C21 | O24 | 20.0° | 0.1° |
| O22 | C23 | H12 | H13 | 120.0° | 119.9° |
| O22 | C23 | H12 | H14 | 120.0° | 120.0° |
| O22 | C23 | H13 | H14 | 120.0° | 120.0° |
| O22 | C21 | N20 | O24 | 179.1° | 179.9° |
| O22 | C21 | N20 | C19 | 156.0° | 180.0° |
| C21 | O22 | C23 | H12 | 180.0° | 180.0° |
| C21 | O22 | C23 | H13 | 60.0° | 60.1° |
| C21 | O22 | C23 | H14 | 60.0° | 60.0° |
| O22 | C21 | N20 | H29 | 24.0° | 0.0° |
| N03 | C04 | C05 | H8 | 180.0° | 179.7° |
| C04 | N03 | N02 | C01 | 179.9° | 179.8° |
| C04 | N03 | N02 | C41 | 0.1° | 0.4° |
| N03 | C04 | C05 | C41 | 0.6° | 0.3° |
| N03 | C04 | C05 | C06 | 179.8° | 179.7° |
| N02 | N03 | C04 | C05 | 0.5° | 0.4° |
| N03 | N02 | C01 | C41 | 180.0° | 179.7° |
| N03 | N02 | C41 | C05 | 0.3° | 0.2° |
| N03 | N02 | C01 | H5 | 0.0° | 89.8° |
| N03 | N02 | C01 | H6 | 120.0° | 30.3° |
| N03 | N02 | C01 | H7 | 120.0° | 150.3° |
| N02 | N03 | C04 | H8 | 179.6° | 179.8° |
| N03 | N02 | C41 | H28 | 179.6° | 179.8° |
| C13 | N14 | C15 | C35 | 129.1° | 124.3° |
| C13 | N14 | C35 | C36 | 51.1° | 63.0° |
| C13 | N14 | C15 | N34 | 29.6° | 0.3° |
| C13 | N14 | C15 | N16 | 149.3° | 179.9° |
| N14 | C13 | H1 | H2 | 118.1° | 120.0° |
| N14 | C13 | C12 | H10 | 74.2° | 173.5° |
| N14 | C13 | C12 | H11 | 166.8° | 65.9° |
| C13 | N14 | C35 | H22 | 171.6° | 56.9° |
| C13 | N14 | C35 | H23 | 69.4° | 177.0° |
| C15 | N14 | C35 | C36 | 179.3° | 172.8° |
| N14 | C15 | N34 | N16 | 178.8° | 179.6° |
| N14 | C15 | N34 | C33 | 179.2° | 179.7° |
| N14 | C15 | N16 | C17 | 179.2° | 180.0° |
| C15 | N14 | C13 | H1 | 59.9° | 52.7° |
| C15 | N14 | C13 | H2 | 58.9° | 67.2° |
| C15 | N14 | C35 | H22 | 60.2° | 67.3° |
| C15 | N14 | C35 | H23 | 58.8° | 52.8° |
| N14 | C35 | C36 | N11 | 46.7° | 53.8° |
| N14 | C35 | C36 | H22 | 120.5° | 119.9° |
| N14 | C35 | C36 | H23 | 120.5° | 120.0° |
| C35 | N14 | C15 | N34 | 158.6° | 124.6° |
| C35 | N14 | C15 | N16 | 20.3° | 55.7° |
| C35 | N14 | C13 | H1 | 171.8° | 176.9° |
| C35 | N14 | C13 | H2 | 69.4° | 56.9° |
| N14 | C35 | H22 | H23 | 118.4° | 120.1° |
| N14 | C35 | C36 | H24 | 167.3° | 65.9° |
| N14 | C35 | C36 | H25 | 73.8° | 173.5° |
| C04 | C05 | C41 | N02 | 0.6° | 0.0° |
| C04 | C05 | C06 | C40 | 10.0° | 0.0° |
| C04 | C05 | C41 | C06 | 179.2° | 180.0° |
| C04 | C05 | C06 | C07 | 170.2° | 180.0° |
| C04 | C05 | C41 | H28 | 179.4° | 180.0° |
| N11 | C36 | C35 | H24 | 120.6° | 119.8° |
| N11 | C36 | C35 | H25 | 120.6° | 119.7° |
| C36 | N11 | C10 | C09 | 21.1° | 23.2° |
| C36 | N11 | C10 | N37 | 161.4° | 157.0° |
| C36 | N11 | C12 | H10 | 77.1° | 170.9° |
| C36 | N11 | C12 | H11 | 163.9° | 68.5° |
| N11 | C36 | C35 | H22 | 167.2° | 66.1° |
| N11 | C36 | C35 | H23 | 73.8° | 173.9° |
| N11 | C36 | H24 | H25 | 118.2° | 120.5° |
| C35 | C36 | N11 | C10 | 138.0° | 128.8° |
| C36 | C35 | H22 | H23 | 118.4° | 120.0° |
| C35 | C36 | H24 | H25 | 118.2° | 120.5° |
| C01 | N02 | C41 | C05 | 179.7° | 180.0° |
| N02 | C01 | H5 | H6 | 120.0° | 120.1° |
| N02 | C01 | H5 | H7 | 120.0° | 119.9° |
| N02 | C01 | H6 | H7 | 120.0° | 120.0° |
| C01 | N02 | C41 | H28 | 0.4° | 0.0° |
| N11 | C10 | C09 | C40 | 2.3° | 0.2° |
| N11 | C10 | C09 | N37 | 177.5° | 179.8° |
| N11 | C10 | C09 | N08 | 178.9° | 179.7° |
| N11 | C10 | N37 | C38 | 178.6° | 179.8° |
| C10 | N11 | C12 | H10 | 101.2° | 9.1° |
| C10 | N11 | C12 | H11 | 17.8° | 111.5° |
| C10 | N11 | C36 | H24 | 17.4° | 111.5° |
| C10 | N11 | C36 | H25 | 101.4° | 9.1° |
| N02 | C41 | C05 | H28 | 180.0° | 180.0° |
| N02 | C41 | C05 | C06 | 179.7° | 180.0° |
| C41 | N02 | C01 | H5 | 180.0° | 89.9° |
| C41 | N02 | C01 | H6 | 60.0° | 150.0° |
| C41 | N02 | C01 | H7 | 60.0° | 30.0° |
| C06 | C40 | C09 | H27 | 180.0° | 179.9° |
| C40 | C06 | C05 | C41 | 169.0° | 180.0° |
| C40 | C06 | C05 | C07 | 179.8° | 179.9° |
| C06 | C40 | C09 | C10 | 179.0° | 180.0° |
| C06 | C40 | C09 | N08 | 0.1° | 0.0° |
| C40 | C06 | C07 | N08 | 0.1° | 0.0° |
| C40 | C06 | C07 | H9 | 179.9° | 179.9° |
| C09 | C40 | C06 | C05 | 179.7° | 179.9° |
| C09 | C40 | C06 | C07 | 0.1° | 0.0° |
| C40 | C09 | C10 | N08 | 178.9° | 179.9° |
| C40 | C09 | C10 | N37 | 179.7° | 180.0° |
| C40 | C09 | N08 | C07 | 0.0° | 0.0° |
| C40 | C09 | N08 | N39 | 180.0° | 180.0° |
| C41 | C05 | C06 | C07 | 10.8° | 0.0° |
| C41 | C05 | C04 | H8 | 179.4° | 180.0° |
| C05 | C06 | C07 | N08 | 179.7° | 180.0° |
| C06 | C05 | C04 | H8 | 0.2° | 0.0° |
| C05 | C06 | C07 | H9 | 0.3° | 0.1° |
| C05 | C06 | C40 | H27 | 0.3° | 0.0° |
| C06 | C05 | C41 | H28 | 0.2° | 0.0° |
| C15 | N34 | C33 | C18 | 0.2° | 0.5° |
| N34 | C15 | N16 | C17 | 0.4° | 0.3° |
| C15 | N34 | C33 | H21 | 179.8° | 179.7° |
| C33 | N34 | C15 | N16 | 0.4° | 0.1° |
| N34 | C33 | C18 | H21 | 180.0° | 179.3° |
| N34 | C33 | C18 | C17 | 0.0° | 0.7° |
| N34 | C33 | C18 | C19 | 179.9° | 179.8° |
| C06 | C07 | N08 | C09 | 0.0° | 0.0° |
| C06 | C07 | N08 | H9 | 180.0° | 179.9° |
| C06 | C07 | N08 | N39 | 179.9° | 180.0° |
| C07 | C06 | C40 | H27 | 179.9° | 180.0° |
| C15 | N16 | C17 | C18 | 0.1° | 0.0° |
| C15 | N16 | C17 | H3 | 179.8° | 179.9° |
| C09 | C10 | N37 | C38 | 1.0° | 0.0° |
| C10 | C09 | N08 | C07 | 179.2° | 180.0° |
| C10 | C09 | N08 | N39 | 0.9° | 0.0° |
| C10 | C09 | C40 | H27 | 1.0° | 0.1° |
| N37 | C10 | C09 | N08 | 1.4° | 0.0° |
| C10 | N37 | C38 | N39 | 0.1° | 0.1° |
| C10 | N37 | C38 | H26 | 179.9° | 180.0° |
| C09 | N08 | C07 | N39 | 179.9° | 180.0° |
| C09 | N08 | N39 | C38 | 0.0° | 0.0° |
| C09 | N08 | C07 | H9 | 180.0° | 180.0° |
| N08 | C09 | C40 | H27 | 179.9° | 180.0° |
| N37 | C38 | N39 | N08 | 0.4° | 0.0° |
| N37 | C38 | N39 | H26 | 180.0° | 179.9° |
| C21 | N20 | C19 | H29 | 180.0° | 180.0° |
| C21 | N20 | C19 | C18 | 157.8° | 60.0° |
| C21 | N20 | C19 | C25 | 39.5° | 180.0° |
| C21 | N20 | C19 | C26 | 84.5° | 60.0° |
| O24 | C21 | N20 | C19 | 24.9° | 0.0° |
| O24 | C21 | N20 | H29 | 155.1° | 180.0° |
| C07 | N08 | N39 | C38 | 179.9° | 180.0° |
| C33 | C18 | C19 | N20 | 60.8° | 95.4° |
| C33 | C18 | C17 | N16 | 0.1° | 0.5° |
| C33 | C18 | C17 | C19 | 180.0° | 179.5° |
| C33 | C18 | C19 | C25 | 177.2° | 144.6° |
| C33 | C18 | C19 | C26 | 58.0° | 24.6° |
| C33 | C18 | C17 | H3 | 179.9° | 179.5° |
| N20 | C19 | C18 | C17 | 119.2° | 84.1° |
| N20 | C19 | C18 | C25 | 122.0° | 120.0° |
| N20 | C19 | C18 | C26 | 118.8° | 120.0° |
| N20 | C19 | C25 | C26 | 123.8° | 120.0° |
| N20 | C19 | C26 | C32 | 1.9° | 14.6° |
| N20 | C19 | C26 | C27 | 178.5° | 165.7° |
| N20 | C19 | C25 | H15 | 180.0° | 60.0° |
| N20 | C19 | C25 | H16 | 60.0° | 60.0° |
| N20 | C19 | C25 | H17 | 60.0° | 180.0° |
| N39 | N08 | C07 | H9 | 0.1° | 0.1° |
| N08 | N39 | C38 | H26 | 179.6° | 179.9° |
| N16 | C17 | C18 | H3 | 180.0° | 180.0° |
| N16 | C17 | C18 | C19 | 179.9° | 180.0° |
| C17 | C18 | C19 | C25 | 2.8° | 36.0° |
| C17 | C18 | C19 | C26 | 122.0° | 155.9° |
| C17 | C18 | C33 | H21 | 180.0° | 180.0° |
| C18 | C19 | C25 | C26 | 117.8° | 120.0° |
| C18 | C19 | C26 | C32 | 115.3° | 134.6° |
| C18 | C19 | C26 | C27 | 64.3° | 45.7° |
| C19 | C18 | C17 | H3 | 0.1° | 0.1° |
| C18 | C19 | C25 | H15 | 61.6° | 60.0° |
| C18 | C19 | C25 | H16 | 58.4° | 180.0° |
| C18 | C19 | C25 | H17 | 178.4° | 60.0° |
| C19 | C18 | C33 | H21 | 0.1° | 0.5° |
| C18 | C19 | N20 | H29 | 22.2° | 120.0° |
| C25 | C19 | C26 | C32 | 127.4° | 105.4° |
| C25 | C19 | C26 | C27 | 52.9° | 74.3° |
| C19 | C25 | H15 | H16 | 120.0° | 120.1° |
| C19 | C25 | H15 | H17 | 120.0° | 120.0° |
| C19 | C25 | H16 | H17 | 120.0° | 120.0° |
| C25 | C19 | N20 | H29 | 140.5° | 0.0° |
| C19 | C26 | C32 | C27 | 179.6° | 179.8° |
| C19 | C26 | C32 | C31 | 180.0° | 179.7° |
| C19 | C26 | C27 | C28 | 179.9° | 180.0° |
| C26 | C19 | C25 | H15 | 56.2° | 179.9° |
| C26 | C19 | C25 | H16 | 176.2° | 60.0° |
| C26 | C19 | C25 | H17 | 63.8° | 60.0° |
| C19 | C26 | C27 | H18 | 0.1° | 0.1° |
| C19 | C26 | C32 | H20 | 0.0° | 0.3° |
| C26 | C19 | N20 | H29 | 95.5° | 120.0° |
| C26 | C32 | C31 | H20 | 180.0° | 180.0° |
| C26 | C32 | C31 | C29 | 0.2° | 0.7° |
| C32 | C26 | C27 | C28 | 0.5° | 0.2° |
| C32 | C26 | C27 | H18 | 179.5° | 179.7° |
| C26 | C32 | C31 | H19 | 179.8° | 179.7° |
| C31 | C32 | C26 | C27 | 0.4° | 0.1° |
| C32 | C31 | C29 | H19 | 180.0° | 179.0° |
| C32 | C31 | C29 | C28 | 0.1° | 1.0° |
| C32 | C31 | C29 | F30 | 179.9° | 179.7° |
| C26 | C27 | C28 | H18 | 180.0° | 179.9° |
| C26 | C27 | C28 | C29 | 0.4° | 0.1° |
| C26 | C27 | C28 | H4 | 179.7° | 179.9° |
| C27 | C26 | C32 | H20 | 179.6° | 180.0° |
| C31 | C29 | C28 | C27 | 0.2° | 0.7° |
| C31 | C29 | C28 | F30 | 180.0° | 179.3° |
| C31 | C29 | C28 | H4 | 179.8° | 179.5° |
| C29 | C31 | C32 | H20 | 179.8° | 179.4° |
| C27 | C28 | C29 | H4 | 180.0° | 179.9° |
| C27 | C28 | C29 | F30 | 179.8° | 180.0° |
| C29 | C28 | C27 | H18 | 179.6° | 180.0° |
| C28 | C29 | C31 | H19 | 179.9° | 180.0° |
| F30 | C29 | C28 | H4 | 0.2° | 0.1° |
| F30 | C29 | C31 | H19 | 0.1° | 0.7° |
| H1 | C13 | C12 | H10 | 46.4° | 66.4° |
| H1 | C13 | C12 | H11 | 72.6° | 54.1° |
| H2 | C13 | C12 | H10 | 165.2° | 53.6° |
| H2 | C13 | C12 | H11 | 46.2° | 174.1° |
| H4 | C28 | C27 | H18 | 0.4° | 0.1° |
| H5 | C01 | H6 | H7 | 120.0° | 120.0° |
| H12 | C23 | H13 | H14 | 120.0° | 120.0° |
| H15 | C25 | H16 | H17 | 120.0° | 120.0° |
| H19 | C31 | C32 | H20 | 0.2° | 0.4° |
| H22 | C35 | C36 | H24 | 72.2° | 174.1° |
| H22 | C35 | C36 | H25 | 46.7° | 53.6° |
| H23 | C35 | C36 | H24 | 46.8° | 54.1° |
| H23 | C35 | C36 | H25 | 165.6° | 66.5° |
