9WU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | N02 | sing | 1.47Å | 1.46Å | |
| N03 | N02 | sing | 1.40Å | 1.33Å | Aromatic |
| N03 | C04 | doub | 1.31Å | 1.33Å | Aromatic |
| N02 | C05 | sing | 1.35Å | 1.31Å | Aromatic |
| C04 | C06 | sing | 1.41Å | 1.40Å | Aromatic |
| C05 | C06 | doub | 1.36Å | 1.40Å | Aromatic |
| C06 | C07 | sing | 1.49Å | 1.53Å | |
| C07 | C41 | sing | 1.41Å | 1.37Å | Aromatic |
| C07 | C08 | doub | 1.38Å | 1.37Å | Aromatic |
| C41 | C40 | doub | 1.38Å | 1.43Å | Aromatic |
| C16 | C15 | sing | 1.53Å | 1.52Å | |
| C16 | N17 | sing | 1.47Å | 1.45Å | |
| C08 | N09 | sing | 1.35Å | 1.38Å | Aromatic |
| C40 | N09 | sing | 1.38Å | 1.30Å | Aromatic |
| C40 | C13 | sing | 1.41Å | 1.40Å | Aromatic |
| N14 | C15 | sing | 1.47Å | 1.44Å | |
| N14 | C13 | sing | 1.38Å | 1.43Å | |
| N14 | C39 | sing | 1.47Å | 1.44Å | |
| N09 | N10 | sing | 1.40Å | 1.38Å | Aromatic |
| C13 | N12 | doub | 1.32Å | 1.34Å | Aromatic |
| N17 | C38 | sing | 1.47Å | 1.46Å | |
| N17 | C18 | sing | 1.38Å | 1.45Å | |
| N10 | C11 | doub | 1.30Å | 1.34Å | Aromatic |
| N12 | C11 | sing | 1.33Å | 1.36Å | Aromatic |
| C38 | C39 | sing | 1.54Å | 1.51Å | |
| C18 | N19 | doub | 1.33Å | 1.31Å | Aromatic |
| C18 | N37 | sing | 1.32Å | 1.32Å | Aromatic |
| N19 | C20 | sing | 1.32Å | 1.31Å | Aromatic |
| N37 | C36 | doub | 1.32Å | 1.32Å | Aromatic |
| C20 | C21 | doub | 1.39Å | 1.38Å | Aromatic |
| C26 | C27 | doub | 1.33Å | 1.32Å | |
| C26 | C25 | sing | 1.47Å | 1.54Å | |
| C36 | C21 | sing | 1.39Å | 1.39Å | Aromatic |
| N24 | C25 | sing | 1.35Å | 1.46Å | |
| N24 | C22 | sing | 1.46Å | 1.45Å | |
| C21 | C22 | sing | 1.51Å | 1.52Å | |
| C25 | O28 | doub | 1.22Å | 1.18Å | |
| C22 | C23 | sing | 1.53Å | 1.54Å | |
| C22 | C29 | sing | 1.51Å | 1.53Å | |
| C35 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
| C35 | C34 | sing | 1.38Å | 1.39Å | Aromatic |
| C29 | C30 | sing | 1.38Å | 1.39Å | Aromatic |
| C34 | C32 | doub | 1.38Å | 1.39Å | Aromatic |
| C30 | C31 | doub | 1.38Å | 1.39Å | Aromatic |
| C32 | C31 | sing | 1.38Å | 1.39Å | Aromatic |
| C32 | F33 | sing | 1.35Å | 1.36Å | |
| C15 | H1 | sing | 1.09Å | 1.10Å | |
| C15 | H2 | sing | 1.09Å | 1.10Å | |
| C20 | H3 | sing | 1.08Å | 1.08Å | |
| C26 | 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 | |
| C05 | H9 | sing | 1.08Å | 1.08Å | |
| C08 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C23 | H14 | sing | 1.09Å | 1.10Å | |
| C23 | H15 | sing | 1.09Å | 1.10Å | |
| C23 | H16 | sing | 1.09Å | 1.10Å | |
| C27 | H17 | sing | 1.08Å | 1.08Å | |
| C27 | H18 | sing | 1.08Å | 1.08Å | |
| C30 | H19 | sing | 1.08Å | 1.08Å | |
| C31 | H20 | sing | 1.08Å | 1.08Å | |
| C34 | H21 | sing | 1.08Å | 1.08Å | |
| C35 | H22 | sing | 1.08Å | 1.08Å | |
| C36 | H23 | sing | 1.08Å | 1.08Å | |
| C38 | H24 | sing | 1.09Å | 1.10Å | |
| C38 | H25 | sing | 1.09Å | 1.10Å | |
| C39 | H26 | sing | 1.09Å | 1.10Å | |
| C39 | H27 | sing | 1.09Å | 1.10Å | |
| C41 | H28 | sing | 1.08Å | 1.08Å | |
| N24 | H29 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | N02 | N03 | 123.9° | 125.9° |
| C01 | N02 | C05 | 124.7° | 125.9° |
| N02 | C01 | H5 | 109.5° | 109.5° |
| N02 | C01 | H6 | 109.5° | 109.5° |
| N02 | C01 | H7 | 109.4° | 109.4° |
| N02 | N03 | C04 | 108.4° | 108.5° |
| N03 | N02 | C05 | 111.4° | 108.2° |
| N03 | C04 | C06 | 108.0° | 108.1° |
| N03 | C04 | H8 | 126.0° | 125.9° |
| N02 | C05 | C06 | 107.1° | 107.6° |
| N02 | C05 | H9 | 126.5° | 126.2° |
| C04 | C06 | C05 | 105.2° | 107.6° |
| C04 | C06 | C07 | 125.9° | 126.2° |
| C06 | C04 | H8 | 126.0° | 126.0° |
| C05 | C06 | C07 | 128.9° | 126.2° |
| C06 | C05 | H9 | 126.5° | 126.2° |
| C06 | C07 | C41 | 128.8° | 126.3° |
| C06 | C07 | C08 | 123.7° | 126.3° |
| C41 | C07 | C08 | 107.6° | 107.4° |
| C07 | C41 | C40 | 106.9° | 106.9° |
| C07 | C41 | H28 | 126.5° | 126.5° |
| C07 | C08 | N09 | 108.0° | 108.8° |
| C07 | C08 | H10 | 126.0° | 125.6° |
| C41 | C40 | N09 | 107.6° | 108.1° |
| C41 | C40 | C13 | 134.4° | 133.5° |
| C40 | C41 | H28 | 126.6° | 126.6° |
| C15 | C16 | N17 | 117.6° | 109.3° |
| C16 | C15 | N14 | 110.2° | 108.7° |
| C16 | C15 | H1 | 109.3° | 109.6° |
| C16 | C15 | H2 | 109.3° | 109.6° |
| C15 | C16 | H12 | 107.4° | 109.5° |
| C15 | C16 | H13 | 107.4° | 109.5° |
| C16 | N17 | C38 | 120.9° | 111.3° |
| C16 | N17 | C18 | 112.9° | 111.0° |
| N17 | C16 | H12 | 107.4° | 109.5° |
| N17 | C16 | H13 | 107.4° | 109.5° |
| C08 | N09 | C40 | 110.0° | 108.8° |
| C08 | N09 | N10 | 128.4° | 132.9° |
| N09 | C08 | H10 | 126.0° | 125.5° |
| N09 | C40 | C13 | 118.0° | 118.5° |
| C40 | N09 | N10 | 121.6° | 118.3° |
| C40 | C13 | N14 | 120.8° | 120.4° |
| C40 | C13 | N12 | 120.7° | 119.2° |
| C15 | N14 | C13 | 110.1° | 120.9° |
| C15 | N14 | C39 | 108.6° | 118.3° |
| N14 | C15 | H1 | 109.3° | 109.7° |
| N14 | C15 | H2 | 109.3° | 109.7° |
| C13 | N14 | C39 | 109.6° | 120.8° |
| N14 | C13 | N12 | 118.5° | 120.4° |
| N14 | C39 | C38 | 108.5° | 108.4° |
| N14 | C39 | H26 | 109.7° | 109.7° |
| N14 | C39 | H27 | 109.8° | 109.9° |
| N09 | N10 | C11 | 120.0° | 120.1° |
| C13 | N12 | C11 | 120.2° | 121.6° |
| C38 | N17 | C18 | 117.9° | 111.0° |
| N17 | C38 | C39 | 112.3° | 109.3° |
| N17 | C38 | H24 | 108.8° | 109.6° |
| N17 | C38 | H25 | 108.8° | 109.5° |
| N17 | C18 | N19 | 117.8° | 119.2° |
| N17 | C18 | N37 | 120.7° | 119.2° |
| N10 | C11 | N12 | 119.4° | 122.3° |
| N10 | C11 | H11 | 120.3° | 118.9° |
| N12 | C11 | H11 | 120.3° | 118.9° |
| C39 | C38 | H24 | 108.8° | 109.5° |
| C39 | C38 | H25 | 108.8° | 109.5° |
| C38 | C39 | H26 | 109.7° | 109.6° |
| C38 | C39 | H27 | 109.7° | 109.6° |
| N19 | C18 | N37 | 121.5° | 121.6° |
| C18 | N19 | C20 | 121.2° | 120.7° |
| C18 | N37 | C36 | 121.2° | 120.7° |
| N19 | C20 | C21 | 119.2° | 119.2° |
| N19 | C20 | H3 | 120.4° | 120.4° |
| N37 | C36 | C21 | 118.4° | 119.2° |
| N37 | C36 | H23 | 120.8° | 120.4° |
| C20 | C21 | C36 | 118.6° | 118.6° |
| C20 | C21 | C22 | 114.7° | 120.7° |
| C21 | C20 | H3 | 120.4° | 120.4° |
| C27 | C26 | C25 | 122.8° | 120.0° |
| C27 | C26 | H4 | 118.6° | 120.0° |
| C26 | C27 | H17 | 120.0° | 120.0° |
| C26 | C27 | H18 | 120.0° | 120.0° |
| C26 | C25 | N24 | 117.3° | 120.0° |
| C26 | C25 | O28 | 120.5° | 120.0° |
| C25 | C26 | H4 | 118.6° | 120.0° |
| C36 | C21 | C22 | 126.7° | 120.7° |
| C21 | C36 | H23 | 120.8° | 120.4° |
| C25 | N24 | C22 | 129.3° | 120.0° |
| N24 | C25 | O28 | 122.2° | 120.0° |
| C25 | N24 | H29 | 115.4° | 120.0° |
| N24 | C22 | C21 | 118.3° | 109.4° |
| N24 | C22 | C23 | 87.9° | 109.5° |
| N24 | C22 | C29 | 126.7° | 109.5° |
| C22 | N24 | H29 | 115.3° | 120.0° |
| C21 | C22 | C23 | 93.3° | 109.5° |
| C21 | C22 | C29 | 114.8° | 109.4° |
| C23 | C22 | C29 | 93.2° | 109.5° |
| C22 | C23 | H14 | 109.5° | 109.5° |
| C22 | C23 | H15 | 109.5° | 109.5° |
| C22 | C23 | H16 | 109.4° | 109.5° |
| C22 | C29 | C35 | 118.1° | 119.9° |
| C22 | C29 | C30 | 121.4° | 120.0° |
| C29 | C35 | C34 | 119.7° | 120.0° |
| C35 | C29 | C30 | 120.3° | 120.0° |
| C29 | C35 | H22 | 120.2° | 120.0° |
| C35 | C34 | C32 | 119.7° | 119.9° |
| C35 | C34 | H21 | 120.2° | 120.0° |
| C34 | C35 | H22 | 120.2° | 120.0° |
| C29 | C30 | C31 | 119.9° | 120.0° |
| C29 | C30 | H19 | 120.1° | 120.0° |
| C34 | C32 | C31 | 120.8° | 120.0° |
| C34 | C32 | F33 | 119.7° | 120.0° |
| C32 | C34 | H21 | 120.2° | 120.0° |
| C30 | C31 | C32 | 119.5° | 120.0° |
| C31 | C30 | H19 | 120.0° | 120.0° |
| C30 | C31 | H20 | 120.2° | 120.0° |
| C31 | C32 | F33 | 119.5° | 120.0° |
| C32 | C31 | H20 | 120.2° | 120.0° |
| H1 | C15 | H2 | 109.5° | 109.6° |
| H5 | C01 | H6 | 109.5° | 109.5° |
| H5 | C01 | H7 | 109.5° | 109.5° |
| H6 | C01 | H7 | 109.5° | 109.4° |
| H12 | C16 | H13 | 109.5° | 109.6° |
| H14 | C23 | H15 | 109.4° | 109.5° |
| H14 | C23 | H16 | 109.5° | 109.5° |
| H15 | C23 | H16 | 109.5° | 109.5° |
| H17 | C27 | H18 | 120.0° | 120.0° |
| H24 | C38 | H25 | 109.5° | 109.5° |
| H26 | C39 | H27 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | N02 | N03 | C05 | 179.9° | 179.6° |
| C01 | N02 | N03 | C04 | 179.8° | 179.9° |
| C01 | N02 | C05 | C06 | 179.9° | 180.0° |
| N02 | C01 | H5 | H6 | 120.0° | 120.0° |
| N02 | C01 | H5 | H7 | 120.0° | 120.0° |
| N02 | C01 | H6 | H7 | 120.0° | 119.9° |
| C01 | N02 | C05 | H9 | 0.1° | 0.4° |
| N02 | N03 | C04 | C06 | 0.4° | 0.0° |
| N03 | N02 | C05 | C06 | 0.1° | 0.4° |
| N03 | N02 | C01 | H5 | 0.0° | 90.5° |
| N03 | N02 | C01 | H6 | 120.0° | 29.6° |
| N03 | N02 | C01 | H7 | 120.0° | 149.5° |
| N02 | N03 | C04 | H8 | 179.6° | 179.8° |
| N03 | N02 | C05 | H9 | 179.9° | 180.0° |
| C04 | N03 | N02 | C05 | 0.2° | 0.3° |
| N03 | C04 | C06 | H8 | 180.0° | 179.8° |
| N03 | C04 | C06 | C05 | 0.5° | 0.2° |
| N03 | C04 | C06 | C07 | 180.0° | 179.8° |
| N02 | C05 | C06 | C04 | 0.3° | 0.4° |
| N02 | C05 | C06 | H9 | 180.0° | 179.6° |
| N02 | C05 | C06 | C07 | 179.8° | 179.7° |
| C05 | N02 | C01 | H5 | 179.9° | 90.0° |
| C05 | N02 | C01 | H6 | 59.9° | 150.0° |
| C05 | N02 | C01 | H7 | 60.1° | 30.0° |
| C04 | C06 | C05 | C07 | 179.5° | 179.9° |
| C04 | C06 | C07 | C41 | 172.9° | 0.0° |
| C04 | C06 | C07 | C08 | 8.3° | 180.0° |
| C04 | C06 | C05 | H9 | 179.7° | 180.0° |
| C05 | C06 | C07 | C41 | 7.7° | 180.0° |
| C05 | C06 | C07 | C08 | 171.1° | 0.0° |
| C05 | C06 | C04 | H8 | 179.6° | 180.0° |
| C06 | C07 | C41 | C08 | 178.9° | 180.0° |
| C06 | C07 | C41 | C40 | 179.4° | 180.0° |
| C06 | C07 | C08 | N09 | 179.6° | 179.9° |
| C07 | C06 | C04 | H8 | 0.0° | 0.0° |
| C07 | C06 | C05 | H9 | 0.2° | 0.1° |
| C06 | C07 | C08 | H10 | 0.5° | 0.0° |
| C06 | C07 | C41 | H28 | 0.7° | 0.0° |
| C07 | C41 | C40 | H28 | 180.0° | 180.0° |
| C41 | C07 | C08 | N09 | 0.5° | 0.1° |
| C07 | C41 | C40 | N09 | 0.1° | 0.0° |
| C07 | C41 | C40 | C13 | 179.9° | 180.0° |
| C41 | C07 | C08 | H10 | 179.5° | 180.0° |
| C08 | C07 | C41 | C40 | 0.4° | 0.0° |
| C07 | C08 | N09 | H10 | 180.0° | 179.9° |
| C07 | C08 | N09 | C40 | 0.5° | 0.1° |
| C07 | C08 | N09 | N10 | 179.5° | 180.0° |
| C08 | C07 | C41 | H28 | 179.6° | 180.0° |
| C41 | C40 | N09 | C08 | 0.2° | 0.1° |
| C41 | C40 | N09 | C13 | 180.0° | 179.9° |
| C41 | C40 | C13 | N14 | 0.5° | 0.0° |
| C41 | C40 | N09 | N10 | 179.7° | 180.0° |
| C41 | C40 | C13 | N12 | 179.9° | 179.9° |
| C15 | C16 | N17 | H12 | 121.2° | 120.0° |
| C15 | C16 | N17 | H13 | 121.2° | 119.9° |
| C16 | C15 | N14 | H1 | 120.1° | 119.8° |
| C16 | C15 | N14 | H2 | 120.1° | 119.8° |
| C16 | C15 | N14 | C13 | 179.0° | 128.9° |
| C16 | C15 | N14 | C39 | 61.0° | 51.1° |
| C15 | C16 | N17 | C38 | 5.2° | 63.1° |
| C15 | C16 | N17 | C18 | 142.6° | 172.8° |
| C16 | C15 | H1 | H2 | 119.6° | 120.3° |
| C15 | C16 | H12 | H13 | 116.3° | 120.1° |
| N17 | C16 | C15 | N14 | 26.6° | 53.7° |
| C16 | N17 | C38 | C18 | 146.2° | 124.2° |
| C16 | N17 | C38 | C39 | 16.0° | 63.2° |
| C16 | N17 | C18 | N19 | 4.4° | 180.0° |
| C16 | N17 | C18 | N37 | 174.7° | 0.5° |
| N17 | C16 | C15 | H1 | 93.5° | 173.6° |
| N17 | C16 | C15 | H2 | 146.7° | 66.1° |
| N17 | C16 | H12 | H13 | 116.3° | 120.1° |
| C16 | N17 | C38 | H24 | 104.4° | 56.8° |
| C16 | N17 | C38 | H25 | 136.4° | 176.9° |
| C08 | N09 | C40 | N10 | 179.9° | 179.9° |
| C08 | N09 | C40 | C13 | 179.8° | 180.0° |
| C08 | N09 | N10 | C11 | 179.8° | 179.9° |
| N09 | C40 | C13 | N14 | 179.5° | 179.9° |
| N09 | C40 | C13 | N12 | 0.1° | 0.0° |
| C40 | N09 | N10 | C11 | 0.3° | 0.1° |
| C40 | N09 | C08 | H10 | 179.5° | 180.0° |
| N09 | C40 | C41 | H28 | 179.9° | 180.0° |
| C40 | C13 | N14 | C15 | 175.7° | 157.0° |
| C40 | C13 | N14 | N12 | 179.4° | 179.9° |
| C40 | C13 | N14 | C39 | 64.9° | 23.1° |
| C13 | C40 | N09 | N10 | 0.3° | 0.1° |
| C40 | C13 | N12 | C11 | 0.1° | 0.0° |
| C13 | C40 | C41 | H28 | 0.1° | 0.0° |
| C15 | N14 | C13 | C39 | 119.4° | 179.9° |
| C15 | N14 | C13 | N12 | 3.7° | 22.9° |
| C15 | N14 | C39 | C38 | 73.8° | 51.1° |
| N14 | C15 | H1 | H2 | 119.7° | 120.4° |
| N14 | C15 | C16 | H12 | 94.6° | 173.7° |
| N14 | C15 | C16 | H13 | 147.8° | 66.2° |
| C15 | N14 | C39 | H26 | 46.0° | 68.6° |
| C15 | N14 | C39 | H27 | 166.3° | 170.9° |
| N14 | C13 | N12 | C11 | 179.3° | 180.0° |
| C13 | N14 | C39 | C38 | 165.9° | 128.9° |
| C13 | N14 | C15 | H1 | 60.9° | 9.0° |
| C13 | N14 | C15 | H2 | 58.9° | 111.3° |
| C13 | N14 | C39 | H26 | 74.3° | 111.5° |
| C13 | N14 | C39 | H27 | 46.1° | 9.1° |
| C39 | N14 | C13 | N12 | 115.7° | 157.0° |
| N14 | C39 | C38 | N17 | 48.9° | 53.8° |
| N14 | C39 | C38 | H26 | 119.8° | 119.7° |
| N14 | C39 | C38 | H27 | 119.9° | 120.0° |
| C39 | N14 | C15 | H1 | 59.1° | 170.9° |
| C39 | N14 | C15 | H2 | 178.9° | 68.7° |
| N14 | C39 | C38 | H24 | 71.5° | 66.2° |
| N14 | C39 | C38 | H25 | 169.3° | 173.8° |
| N14 | C39 | H26 | H27 | 120.5° | 120.7° |
| N09 | N10 | C11 | N12 | 0.1° | 0.0° |
| N10 | N09 | C08 | H10 | 0.5° | 0.1° |
| N09 | N10 | C11 | H11 | 179.9° | 179.9° |
| C13 | N12 | C11 | N10 | 0.0° | 0.0° |
| C13 | N12 | C11 | H11 | 180.0° | 180.0° |
| N17 | C38 | C39 | H24 | 120.4° | 120.0° |
| N17 | C38 | C39 | H25 | 120.4° | 119.9° |
| C38 | N17 | C18 | N19 | 153.2° | 55.7° |
| C38 | N17 | C18 | N37 | 25.9° | 123.8° |
| C38 | N17 | C16 | H12 | 116.0° | 176.9° |
| C38 | N17 | C16 | H13 | 126.4° | 56.8° |
| N17 | C38 | H24 | H25 | 118.7° | 120.1° |
| N17 | C38 | C39 | H26 | 70.9° | 65.8° |
| N17 | C38 | C39 | H27 | 168.8° | 173.8° |
| C18 | N17 | C38 | C39 | 130.2° | 172.7° |
| N17 | C18 | N19 | N37 | 179.1° | 179.5° |
| N17 | C18 | N19 | C20 | 179.6° | 180.0° |
| N17 | C18 | N37 | C36 | 179.9° | 179.7° |
| C18 | N17 | C16 | H12 | 96.3° | 52.8° |
| C18 | N17 | C16 | H13 | 21.4° | 67.3° |
| C18 | N17 | C38 | H24 | 109.4° | 67.4° |
| C18 | N17 | C38 | H25 | 9.8° | 52.7° |
| N10 | C11 | N12 | H11 | 180.0° | 179.9° |
| C39 | C38 | H24 | H25 | 118.7° | 120.1° |
| C38 | C39 | H26 | H27 | 120.4° | 120.4° |
| N19 | C18 | N37 | C36 | 1.1° | 0.8° |
| C18 | N19 | C20 | C21 | 1.4° | 0.0° |
| C18 | N19 | C20 | H3 | 178.7° | 179.7° |
| N37 | C18 | N19 | C20 | 1.4° | 0.5° |
| C18 | N37 | C36 | C21 | 0.8° | 0.5° |
| C18 | N37 | C36 | H23 | 179.2° | 179.5° |
| N19 | C20 | C21 | H3 | 180.0° | 179.7° |
| N19 | C20 | C21 | C36 | 1.1° | 0.3° |
| N19 | C20 | C21 | C22 | 178.8° | 179.7° |
| N37 | C36 | C21 | C20 | 0.8° | 0.0° |
| N37 | C36 | C21 | H23 | 180.0° | 180.0° |
| N37 | C36 | C21 | C22 | 178.2° | 180.0° |
| C20 | C21 | C36 | C22 | 177.4° | 180.0° |
| C20 | C21 | C22 | N24 | 114.8° | 95.8° |
| C20 | C21 | C22 | C23 | 155.8° | 144.2° |
| C20 | C21 | C22 | C29 | 60.7° | 24.2° |
| C20 | C21 | C36 | H23 | 179.2° | 180.0° |
| C27 | C26 | C25 | H4 | 180.0° | 180.0° |
| C27 | C26 | C25 | N24 | 137.1° | 180.0° |
| C27 | C26 | C25 | O28 | 42.9° | 0.0° |
| C26 | C27 | H17 | H18 | 180.0° | 180.0° |
| C26 | C25 | N24 | O28 | 180.0° | 180.0° |
| C26 | C25 | N24 | C22 | 178.0° | 180.0° |
| C25 | C26 | C27 | H17 | 180.0° | 180.0° |
| C25 | C26 | C27 | H18 | 0.0° | 0.0° |
| C26 | C25 | N24 | H29 | 2.0° | 0.0° |
| C36 | C21 | C22 | N24 | 62.7° | 84.2° |
| C36 | C21 | C22 | C23 | 26.7° | 35.8° |
| C36 | C21 | C22 | C29 | 121.8° | 155.8° |
| C36 | C21 | C20 | H3 | 179.0° | 180.0° |
| C25 | N24 | C22 | H29 | 180.0° | 180.0° |
| C25 | N24 | C22 | C21 | 169.4° | 60.0° |
| C25 | N24 | C22 | C23 | 76.8° | 180.0° |
| C25 | N24 | C22 | C29 | 15.7° | 60.0° |
| N24 | C25 | C26 | H4 | 42.9° | 0.0° |
| N24 | C22 | C21 | C23 | 89.4° | 120.0° |
| N24 | C22 | C21 | C29 | 175.5° | 120.0° |
| C22 | N24 | C25 | O28 | 2.0° | 0.0° |
| N24 | C22 | C23 | C29 | 126.7° | 120.0° |
| N24 | C22 | C29 | C35 | 51.8° | 14.5° |
| N24 | C22 | C29 | C30 | 133.3° | 165.8° |
| N24 | C22 | C23 | H14 | 180.0° | 60.0° |
| N24 | C22 | C23 | H15 | 60.0° | 60.0° |
| N24 | C22 | C23 | H16 | 60.0° | 180.0° |
| C21 | C22 | C23 | C29 | 115.1° | 120.0° |
| C21 | C22 | C29 | C35 | 123.3° | 134.5° |
| C21 | C22 | C29 | C30 | 51.6° | 45.8° |
| C22 | C21 | C20 | H3 | 1.2° | 0.0° |
| C21 | C22 | C23 | H14 | 61.8° | 60.0° |
| C21 | C22 | C23 | H15 | 58.2° | 180.0° |
| C21 | C22 | C23 | H16 | 178.2° | 60.0° |
| C22 | C21 | C36 | H23 | 1.8° | 0.1° |
| C21 | C22 | N24 | H29 | 10.6° | 120.0° |
| O28 | C25 | C26 | H4 | 137.1° | 179.9° |
| O28 | C25 | N24 | H29 | 178.0° | 180.0° |
| C23 | C22 | C29 | C35 | 141.6° | 105.5° |
| C23 | C22 | C29 | C30 | 43.5° | 74.2° |
| C22 | C23 | H14 | H15 | 120.0° | 120.0° |
| C22 | C23 | H14 | H16 | 120.0° | 120.0° |
| C22 | C23 | H15 | H16 | 120.0° | 120.0° |
| C23 | C22 | N24 | H29 | 103.2° | 0.0° |
| C22 | C29 | C35 | C30 | 174.9° | 179.7° |
| C22 | C29 | C35 | C34 | 177.9° | 179.8° |
| C22 | C29 | C30 | C31 | 178.0° | 180.0° |
| C29 | C22 | C23 | H14 | 53.4° | 180.0° |
| C29 | C22 | C23 | H15 | 173.3° | 60.0° |
| C29 | C22 | C23 | H16 | 66.6° | 60.0° |
| C22 | C29 | C30 | H19 | 2.0° | 0.0° |
| C22 | C29 | C35 | H22 | 2.1° | 0.1° |
| C29 | C22 | N24 | H29 | 164.3° | 120.0° |
| C29 | C35 | C34 | H22 | 180.0° | 179.7° |
| C29 | C35 | C34 | C32 | 1.4° | 0.5° |
| C35 | C29 | C30 | C31 | 3.3° | 0.3° |
| C35 | C29 | C30 | H19 | 176.7° | 179.7° |
| C29 | C35 | C34 | H21 | 178.6° | 179.8° |
| C34 | C35 | C29 | C30 | 3.0° | 0.5° |
| C35 | C34 | C32 | H21 | 180.0° | 179.7° |
| C35 | C34 | C32 | C31 | 0.1° | 0.3° |
| C35 | C34 | C32 | F33 | 179.9° | 179.8° |
| C29 | C30 | C31 | H19 | 180.0° | 180.0° |
| C29 | C30 | C31 | C32 | 1.9° | 0.0° |
| C29 | C30 | C31 | H20 | 178.1° | 180.0° |
| C30 | C29 | C35 | H22 | 177.0° | 179.8° |
| C34 | C32 | C31 | C30 | 0.3° | 0.1° |
| C34 | C32 | C31 | F33 | 180.0° | 179.9° |
| C34 | C32 | C31 | H20 | 179.7° | 180.0° |
| C32 | C34 | C35 | H22 | 178.6° | 179.7° |
| C30 | C31 | C32 | H20 | 180.0° | 180.0° |
| C30 | C31 | C32 | F33 | 179.6° | 180.0° |
| C32 | C31 | C30 | H19 | 178.1° | 180.0° |
| C31 | C32 | C34 | H21 | 180.0° | 180.0° |
| F33 | C32 | C31 | H20 | 0.3° | 0.1° |
| F33 | C32 | C34 | H21 | 0.1° | 0.1° |
| H1 | C15 | C16 | H12 | 145.3° | 66.5° |
| H1 | C15 | C16 | H13 | 27.7° | 53.7° |
| H2 | C15 | C16 | H12 | 25.5° | 53.8° |
| H2 | C15 | C16 | H13 | 92.1° | 174.0° |
| H4 | C26 | C27 | H17 | 0.0° | 0.1° |
| H4 | C26 | C27 | H18 | 180.0° | 180.0° |
| H5 | C01 | H6 | H7 | 120.0° | 120.0° |
| H14 | C23 | H15 | H16 | 120.0° | 120.0° |
| H19 | C30 | C31 | H20 | 1.9° | 0.0° |
| H21 | C34 | C35 | H22 | 1.4° | 0.0° |
| H24 | C38 | C39 | H26 | 168.6° | 174.2° |
| H24 | C38 | C39 | H27 | 48.3° | 53.8° |
| H25 | C38 | C39 | H26 | 49.5° | 54.1° |
| H25 | C38 | C39 | H27 | 70.8° | 66.2° |
