F8R
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C06 | C07 | doub | 1.38Å | 1.38Å | Aromatic |
| C06 | C05 | sing | 1.38Å | 1.38Å | Aromatic |
| C24 | C23 | sing | 1.54Å | 1.50Å | |
| C24 | N25 | sing | 1.47Å | 1.45Å | |
| C07 | C08 | sing | 1.38Å | 1.38Å | Aromatic |
| C23 | C18 | sing | 1.51Å | 1.52Å | |
| C05 | C04 | doub | 1.38Å | 1.38Å | Aromatic |
| C30 | N28 | sing | 1.47Å | 1.45Å | |
| C27 | N28 | sing | 1.47Å | 1.44Å | |
| C27 | C26 | sing | 1.51Å | 1.52Å | |
| C18 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
| C18 | C17 | sing | 1.39Å | 1.38Å | Aromatic |
| C08 | C09 | doub | 1.39Å | 1.38Å | Aromatic |
| N25 | C17 | sing | 1.40Å | 1.48Å | |
| N25 | C26 | sing | 1.35Å | 1.43Å | |
| C29 | N28 | sing | 1.47Å | 1.44Å | |
| C19 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C04 | C09 | sing | 1.39Å | 1.39Å | Aromatic |
| C04 | S03 | sing | 1.76Å | 1.81Å | |
| C17 | C16 | doub | 1.40Å | 1.40Å | Aromatic |
| C26 | O31 | doub | 1.21Å | 1.17Å | |
| O39 | S03 | doub | 1.42Å | 1.43Å | |
| C09 | N10 | sing | 1.40Å | 1.44Å | |
| C22 | O21 | sing | 1.43Å | 1.40Å | |
| C20 | O21 | sing | 1.36Å | 1.39Å | |
| C20 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| S03 | O38 | doub | 1.42Å | 1.43Å | |
| S03 | C02 | sing | 1.81Å | 1.81Å | |
| C15 | N14 | sing | 1.40Å | 1.44Å | |
| N10 | C11 | sing | 1.39Å | 1.45Å | |
| N12 | C11 | doub | 1.33Å | 1.33Å | Aromatic |
| N12 | C13 | sing | 1.33Å | 1.33Å | Aromatic |
| C02 | C01 | sing | 1.53Å | 1.52Å | |
| C02 | C40 | sing | 1.53Å | 1.52Å | |
| N14 | C13 | sing | 1.39Å | 1.45Å | |
| C11 | C34 | sing | 1.40Å | 1.40Å | Aromatic |
| C13 | N32 | doub | 1.32Å | 1.31Å | Aromatic |
| C34 | N35 | sing | 1.38Å | 1.36Å | Aromatic |
| C34 | C33 | doub | 1.41Å | 1.37Å | Aromatic |
| N32 | C33 | sing | 1.34Å | 1.35Å | Aromatic |
| N35 | C36 | sing | 1.36Å | 1.33Å | Aromatic |
| C33 | C37 | sing | 1.46Å | 1.40Å | Aromatic |
| C36 | C37 | doub | 1.35Å | 1.38Å | Aromatic |
| C22 | H1 | sing | 1.09Å | 1.10Å | |
| C22 | H2 | sing | 1.09Å | 1.10Å | |
| C22 | H3 | sing | 1.09Å | 1.10Å | |
| C24 | H4 | sing | 1.09Å | 1.10Å | |
| C24 | H5 | sing | 1.09Å | 1.10Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C01 | H7 | sing | 1.09Å | 1.10Å | |
| C01 | H8 | sing | 1.09Å | 1.10Å | |
| C02 | H9 | sing | 1.09Å | 1.10Å | |
| C05 | H10 | sing | 1.08Å | 1.08Å | |
| C06 | H11 | sing | 1.08Å | 1.08Å | |
| C07 | H12 | sing | 1.08Å | 1.08Å | |
| C08 | H13 | sing | 1.08Å | 1.08Å | |
| C16 | H14 | sing | 1.08Å | 1.08Å | |
| C19 | H15 | sing | 1.08Å | 1.08Å | |
| C23 | H16 | sing | 1.09Å | 1.10Å | |
| C23 | H17 | sing | 1.09Å | 1.10Å | |
| C27 | H18 | sing | 1.09Å | 1.10Å | |
| C27 | H19 | sing | 1.09Å | 1.10Å | |
| C29 | H20 | sing | 1.09Å | 1.10Å | |
| C29 | H21 | sing | 1.09Å | 1.10Å | |
| C29 | H22 | sing | 1.09Å | 1.10Å | |
| C30 | H23 | sing | 1.09Å | 1.10Å | |
| C30 | H24 | sing | 1.09Å | 1.10Å | |
| C30 | H25 | sing | 1.09Å | 1.10Å | |
| C36 | H26 | sing | 1.08Å | 1.08Å | |
| C37 | H27 | sing | 1.08Å | 1.08Å | |
| C40 | H28 | sing | 1.09Å | 1.10Å | |
| C40 | H29 | sing | 1.09Å | 1.10Å | |
| C40 | H30 | sing | 1.09Å | 1.10Å | |
| N10 | H31 | sing | 0.97Å | 1.00Å | |
| N14 | H32 | sing | 0.97Å | 1.00Å | |
| N35 | H34 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C07 | C06 | C05 | 119.3° | 120.1° |
| C06 | C07 | C08 | 120.7° | 120.1° |
| C07 | C06 | H11 | 120.4° | 120.0° |
| C06 | C07 | H12 | 119.6° | 120.0° |
| C06 | C05 | C04 | 120.4° | 120.1° |
| C06 | C05 | H10 | 119.8° | 119.9° |
| C05 | C06 | H11 | 120.3° | 119.9° |
| C23 | C24 | N25 | 102.5° | 105.2° |
| C24 | C23 | C18 | 103.5° | 104.6° |
| C23 | C24 | H4 | 111.2° | 110.3° |
| C23 | C24 | H5 | 111.2° | 110.3° |
| C24 | C23 | H16 | 111.0° | 110.4° |
| C24 | C23 | H17 | 110.9° | 110.4° |
| C24 | N25 | C17 | 106.2° | 110.0° |
| C24 | N25 | C26 | 126.6° | 125.0° |
| N25 | C24 | H4 | 111.2° | 110.7° |
| N25 | C24 | H5 | 111.2° | 110.0° |
| C07 | C08 | C09 | 119.8° | 119.9° |
| C08 | C07 | H12 | 119.6° | 119.9° |
| C07 | C08 | H13 | 120.1° | 120.0° |
| C23 | C18 | C19 | 133.1° | 130.8° |
| C23 | C18 | C17 | 107.0° | 108.6° |
| C18 | C23 | H16 | 111.0° | 110.8° |
| C18 | C23 | H17 | 110.9° | 110.0° |
| C05 | C04 | C09 | 120.1° | 119.9° |
| C05 | C04 | S03 | 120.0° | 120.1° |
| C04 | C05 | H10 | 119.8° | 120.0° |
| C30 | N28 | C27 | 109.4° | 111.0° |
| C30 | N28 | C29 | 110.9° | 111.0° |
| N28 | C30 | H23 | 109.5° | 109.5° |
| N28 | C30 | H24 | 109.5° | 109.4° |
| N28 | C30 | H25 | 109.5° | 109.5° |
| N28 | C27 | C26 | 113.0° | 109.5° |
| C27 | N28 | C29 | 112.7° | 111.0° |
| N28 | C27 | H18 | 108.6° | 109.5° |
| N28 | C27 | H19 | 108.6° | 109.5° |
| C27 | C26 | N25 | 117.3° | 120.0° |
| C27 | C26 | O31 | 121.8° | 120.0° |
| C26 | C27 | H18 | 108.6° | 109.4° |
| C26 | C27 | H19 | 108.6° | 109.5° |
| C19 | C18 | C17 | 119.9° | 120.6° |
| C18 | C19 | C20 | 119.6° | 120.2° |
| C18 | C19 | H15 | 120.2° | 119.9° |
| C18 | C17 | N25 | 108.7° | 111.6° |
| C18 | C17 | C16 | 121.0° | 119.2° |
| C08 | C09 | C04 | 119.7° | 119.8° |
| C08 | C09 | N10 | 121.9° | 120.1° |
| C09 | C08 | H13 | 120.1° | 120.0° |
| C17 | N25 | C26 | 127.2° | 125.0° |
| N25 | C17 | C16 | 130.3° | 129.2° |
| N25 | C26 | O31 | 120.8° | 120.0° |
| N28 | C29 | H20 | 109.5° | 109.4° |
| N28 | C29 | H21 | 109.4° | 109.5° |
| N28 | C29 | H22 | 109.5° | 109.5° |
| C19 | C20 | O21 | 121.8° | 120.2° |
| C19 | C20 | C15 | 119.5° | 119.7° |
| C20 | C19 | H15 | 120.2° | 119.9° |
| C09 | C04 | S03 | 119.9° | 120.0° |
| C04 | C09 | N10 | 118.4° | 120.1° |
| C04 | S03 | O39 | 112.7° | 104.3° |
| C04 | S03 | O38 | 112.5° | 104.3° |
| C04 | S03 | C02 | 107.4° | 104.4° |
| C17 | C16 | C15 | 118.5° | 120.3° |
| C17 | C16 | H14 | 120.8° | 119.9° |
| O39 | S03 | O38 | 102.1° | 121.0° |
| O39 | S03 | C02 | 110.3° | 110.5° |
| C09 | N10 | C11 | 126.2° | 120.0° |
| C09 | N10 | H31 | 116.9° | 120.0° |
| C22 | O21 | C20 | 116.3° | 116.9° |
| O21 | C22 | H1 | 109.5° | 109.5° |
| O21 | C22 | H2 | 109.5° | 109.4° |
| O21 | C22 | H3 | 109.4° | 109.5° |
| O21 | C20 | C15 | 118.7° | 120.1° |
| C20 | C15 | C16 | 121.5° | 120.0° |
| C20 | C15 | N14 | 117.7° | 120.0° |
| C16 | C15 | N14 | 120.8° | 120.0° |
| C15 | C16 | H14 | 120.8° | 119.9° |
| O38 | S03 | C02 | 111.9° | 110.5° |
| S03 | C02 | C01 | 109.4° | 109.5° |
| S03 | C02 | C40 | 109.6° | 109.5° |
| S03 | C02 | H9 | 105.9° | 109.5° |
| C15 | N14 | C13 | 124.5° | 120.0° |
| C15 | N14 | H32 | 117.8° | 120.0° |
| N10 | C11 | N12 | 123.7° | 120.6° |
| N10 | C11 | C34 | 116.9° | 120.7° |
| C11 | N10 | H31 | 116.9° | 120.0° |
| C11 | N12 | C13 | 119.9° | 121.2° |
| N12 | C11 | C34 | 119.4° | 118.7° |
| N12 | C13 | N14 | 121.7° | 118.9° |
| N12 | C13 | N32 | 122.2° | 122.2° |
| C01 | C02 | C40 | 113.7° | 109.5° |
| C02 | C01 | H6 | 109.5° | 109.4° |
| C02 | C01 | H7 | 109.4° | 109.5° |
| C02 | C01 | H8 | 109.5° | 109.5° |
| C01 | C02 | H9 | 109.0° | 109.5° |
| C40 | C02 | H9 | 108.9° | 109.5° |
| C02 | C40 | H28 | 109.5° | 109.5° |
| C02 | C40 | H29 | 109.4° | 109.5° |
| C02 | C40 | H30 | 109.5° | 109.5° |
| N14 | C13 | N32 | 116.1° | 118.9° |
| C13 | N14 | H32 | 117.8° | 119.9° |
| C11 | C34 | N35 | 133.0° | 134.4° |
| C11 | C34 | C33 | 118.7° | 118.3° |
| C13 | N32 | C33 | 120.9° | 120.4° |
| N35 | C34 | C33 | 108.3° | 107.3° |
| C34 | N35 | C36 | 109.5° | 109.8° |
| C34 | N35 | H34 | 125.3° | 125.1° |
| C34 | C33 | N32 | 118.8° | 119.2° |
| C34 | C33 | C37 | 106.5° | 106.0° |
| N32 | C33 | C37 | 134.7° | 134.8° |
| N35 | C36 | C37 | 108.6° | 109.9° |
| N35 | C36 | H26 | 125.6° | 125.0° |
| C36 | N35 | H34 | 125.2° | 125.2° |
| C33 | C37 | C36 | 107.0° | 107.1° |
| C33 | C37 | H27 | 126.5° | 126.5° |
| C37 | C36 | H26 | 125.7° | 125.1° |
| C36 | C37 | H27 | 126.5° | 126.4° |
| H1 | C22 | H2 | 109.5° | 109.5° |
| H1 | C22 | H3 | 109.5° | 109.5° |
| H2 | C22 | H3 | 109.5° | 109.5° |
| H4 | C24 | H5 | 109.5° | 110.3° |
| H6 | C01 | H7 | 109.5° | 109.4° |
| H6 | C01 | H8 | 109.5° | 109.5° |
| H7 | C01 | H8 | 109.5° | 109.5° |
| H16 | C23 | H17 | 109.5° | 110.5° |
| H18 | C27 | H19 | 109.5° | 109.5° |
| H20 | C29 | H21 | 109.5° | 109.4° |
| H20 | C29 | H22 | 109.5° | 109.5° |
| H21 | C29 | H22 | 109.5° | 109.5° |
| H23 | C30 | H24 | 109.5° | 109.4° |
| H23 | C30 | H25 | 109.4° | 109.5° |
| H24 | C30 | H25 | 109.5° | 109.5° |
| H28 | C40 | H29 | 109.5° | 109.5° |
| H28 | C40 | H30 | 109.5° | 109.5° |
| H29 | C40 | H30 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C07 | C06 | C05 | H11 | 180.0° | 179.9° |
| C06 | C07 | C08 | H12 | 180.0° | 179.9° |
| C07 | C06 | C05 | C04 | 0.6° | 0.1° |
| C06 | C07 | C08 | C09 | 0.6° | 0.0° |
| C07 | C06 | C05 | H10 | 179.4° | 180.0° |
| C06 | C07 | C08 | H13 | 179.4° | 180.0° |
| C05 | C06 | C07 | C08 | 0.6° | 0.1° |
| C06 | C05 | C04 | H10 | 180.0° | 179.9° |
| C06 | C05 | C04 | C09 | 0.6° | 0.1° |
| C06 | C05 | C04 | S03 | 179.4° | 179.8° |
| C05 | C06 | C07 | H12 | 179.5° | 180.0° |
| C23 | C24 | N25 | H4 | 118.9° | 119.1° |
| C23 | C24 | N25 | H5 | 118.9° | 118.7° |
| C24 | C23 | C18 | H16 | 119.1° | 119.0° |
| C24 | C23 | C18 | H17 | 119.0° | 118.6° |
| C24 | C23 | C18 | C19 | 159.1° | 179.9° |
| C24 | C23 | C18 | C17 | 20.9° | 0.3° |
| C23 | C24 | N25 | C17 | 33.4° | 0.5° |
| C23 | C24 | N25 | C26 | 146.4° | 180.0° |
| C23 | C24 | H4 | H5 | 123.2° | 122.1° |
| C24 | C23 | H16 | H17 | 122.8° | 122.4° |
| N25 | C24 | C23 | C18 | 32.9° | 0.4° |
| C24 | N25 | C26 | C27 | 0.9° | 0.0° |
| C24 | N25 | C17 | C18 | 21.2° | 0.3° |
| C24 | N25 | C17 | C26 | 179.7° | 179.5° |
| C24 | N25 | C17 | C16 | 157.3° | 179.7° |
| C24 | N25 | C26 | O31 | 179.3° | 179.9° |
| N25 | C24 | H4 | H5 | 123.2° | 121.9° |
| N25 | C24 | C23 | H16 | 86.2° | 118.8° |
| N25 | C24 | C23 | H17 | 151.9° | 118.8° |
| C07 | C08 | C09 | H13 | 180.0° | 180.0° |
| C07 | C08 | C09 | C04 | 0.6° | 0.0° |
| C07 | C08 | C09 | N10 | 179.6° | 179.7° |
| C08 | C07 | C06 | H11 | 179.4° | 180.0° |
| C23 | C18 | C19 | C17 | 180.0° | 179.7° |
| C23 | C18 | C17 | N25 | 0.4° | 0.0° |
| C23 | C18 | C19 | C20 | 179.5° | 179.9° |
| C23 | C18 | C17 | C16 | 179.1° | 180.0° |
| C18 | C23 | C24 | H4 | 86.0° | 118.9° |
| C18 | C23 | C24 | H5 | 151.8° | 119.0° |
| C23 | C18 | C19 | H15 | 0.5° | 0.4° |
| C18 | C23 | H16 | H17 | 122.8° | 122.2° |
| C05 | C04 | C09 | C08 | 0.6° | 0.1° |
| C05 | C04 | C09 | S03 | 178.8° | 179.7° |
| C05 | C04 | S03 | O39 | 35.1° | 128.6° |
| C05 | C04 | C09 | N10 | 179.7° | 179.7° |
| C05 | C04 | S03 | O38 | 149.9° | 0.7° |
| C05 | C04 | S03 | C02 | 86.5° | 115.3° |
| C04 | C05 | C06 | H11 | 179.4° | 180.0° |
| C30 | N28 | C27 | C29 | 123.8° | 123.9° |
| C30 | N28 | C27 | C26 | 174.6° | 66.1° |
| C30 | N28 | C27 | H18 | 54.0° | 174.0° |
| C30 | N28 | C27 | H19 | 64.9° | 54.0° |
| C30 | N28 | C29 | H20 | 180.0° | 63.9° |
| C30 | N28 | C29 | H21 | 60.0° | 56.0° |
| C30 | N28 | C29 | H22 | 60.0° | 176.1° |
| N28 | C30 | H23 | H24 | 120.0° | 119.9° |
| N28 | C30 | H23 | H25 | 120.0° | 120.0° |
| N28 | C30 | H24 | H25 | 120.0° | 120.0° |
| N28 | C27 | C26 | H18 | 120.5° | 120.0° |
| N28 | C27 | C26 | H19 | 120.5° | 120.0° |
| N28 | C27 | C26 | N25 | 160.3° | 180.0° |
| N28 | C27 | C26 | O31 | 19.5° | 0.1° |
| N28 | C27 | H18 | H19 | 118.4° | 120.0° |
| C27 | N28 | C29 | H20 | 57.0° | 60.0° |
| C27 | N28 | C29 | H21 | 63.0° | 179.9° |
| C27 | N28 | C29 | H22 | 177.0° | 60.0° |
| C27 | N28 | C30 | H23 | 180.0° | 60.1° |
| C27 | N28 | C30 | H24 | 60.0° | 180.0° |
| C27 | N28 | C30 | H25 | 60.0° | 60.0° |
| C27 | C26 | N25 | C17 | 179.4° | 179.4° |
| C27 | C26 | N25 | O31 | 179.8° | 180.0° |
| C26 | C27 | N28 | C29 | 61.6° | 170.0° |
| C26 | C27 | H18 | H19 | 118.4° | 120.0° |
| C19 | C18 | C17 | N25 | 179.6° | 179.7° |
| C18 | C19 | C20 | H15 | 180.0° | 179.6° |
| C19 | C18 | C17 | C16 | 0.9° | 0.3° |
| C18 | C19 | C20 | O21 | 180.0° | 180.0° |
| C18 | C19 | C20 | C15 | 0.3° | 0.0° |
| C19 | C18 | C23 | H16 | 81.8° | 61.0° |
| C19 | C18 | C23 | H17 | 40.1° | 61.5° |
| C18 | C17 | N25 | C16 | 178.5° | 180.0° |
| C18 | C17 | N25 | C26 | 158.5° | 179.9° |
| C17 | C18 | C19 | C20 | 0.5° | 0.3° |
| C18 | C17 | C16 | C15 | 0.3° | 0.0° |
| C18 | C17 | C16 | H14 | 179.6° | 179.9° |
| C17 | C18 | C19 | H15 | 179.5° | 179.9° |
| C17 | C18 | C23 | H16 | 98.2° | 118.7° |
| C17 | C18 | C23 | H17 | 139.9° | 118.8° |
| C08 | C09 | C04 | N10 | 179.1° | 179.8° |
| C08 | C09 | C04 | S03 | 179.5° | 179.7° |
| C08 | C09 | N10 | C11 | 10.7° | 24.7° |
| C09 | C08 | C07 | H12 | 179.4° | 180.0° |
| C08 | C09 | N10 | H31 | 169.3° | 155.3° |
| C17 | N25 | C26 | O31 | 0.3° | 0.6° |
| N25 | C17 | C16 | C15 | 178.7° | 180.0° |
| C17 | N25 | C24 | H4 | 85.5° | 118.6° |
| C17 | N25 | C24 | H5 | 152.2° | 119.2° |
| N25 | C17 | C16 | H14 | 1.3° | 0.0° |
| C26 | N25 | C17 | C16 | 23.0° | 0.2° |
| C26 | N25 | C24 | H4 | 94.7° | 60.9° |
| C26 | N25 | C24 | H5 | 27.5° | 61.3° |
| N25 | C26 | C27 | H18 | 79.2° | 60.0° |
| N25 | C26 | C27 | H19 | 39.8° | 60.0° |
| C29 | N28 | C27 | H18 | 177.9° | 50.0° |
| C29 | N28 | C27 | H19 | 58.9° | 70.0° |
| N28 | C29 | H20 | H21 | 120.0° | 120.0° |
| N28 | C29 | H20 | H22 | 120.0° | 120.0° |
| N28 | C29 | H21 | H22 | 120.0° | 120.1° |
| C29 | N28 | C30 | H23 | 55.1° | 176.0° |
| C29 | N28 | C30 | H24 | 64.9° | 56.1° |
| C29 | N28 | C30 | H25 | 175.1° | 63.9° |
| C19 | C20 | O21 | C22 | 3.5° | 0.1° |
| C19 | C20 | O21 | C15 | 179.8° | 180.0° |
| C19 | C20 | C15 | C16 | 0.8° | 0.2° |
| C19 | C20 | C15 | N14 | 179.5° | 180.0° |
| C09 | C04 | S03 | O39 | 146.0° | 51.0° |
| C09 | C04 | S03 | O38 | 31.3° | 178.9° |
| C09 | C04 | S03 | C02 | 92.3° | 65.0° |
| C04 | C09 | N10 | C11 | 170.3° | 155.5° |
| C09 | C04 | C05 | H10 | 179.4° | 180.0° |
| C04 | C09 | C08 | H13 | 179.4° | 180.0° |
| C04 | C09 | N10 | H31 | 9.7° | 24.5° |
| C04 | S03 | O39 | O38 | 120.9° | 116.8° |
| C04 | S03 | O39 | C02 | 120.0° | 111.7° |
| S03 | C04 | C09 | N10 | 1.5° | 0.0° |
| C04 | S03 | O38 | C02 | 121.0° | 111.7° |
| C04 | S03 | C02 | C01 | 174.1° | 175.0° |
| C04 | S03 | C02 | C40 | 60.5° | 55.0° |
| C04 | S03 | C02 | H9 | 56.8° | 65.0° |
| S03 | C04 | C05 | H10 | 0.5° | 0.4° |
| C17 | C16 | C15 | C20 | 0.5° | 0.2° |
| C17 | C16 | C15 | H14 | 180.0° | 179.9° |
| C17 | C16 | C15 | N14 | 179.8° | 180.0° |
| O31 | C26 | C27 | H18 | 101.0° | 120.0° |
| O31 | C26 | C27 | H19 | 140.0° | 120.0° |
| O39 | S03 | O38 | C02 | 117.9° | 131.5° |
| O39 | S03 | C02 | C01 | 50.9° | 73.4° |
| O39 | S03 | C02 | C40 | 176.3° | 166.6° |
| O39 | S03 | C02 | H9 | 66.3° | 46.6° |
| C09 | N10 | C11 | H31 | 180.0° | 180.0° |
| C09 | N10 | C11 | N12 | 13.4° | 5.8° |
| C09 | N10 | C11 | C34 | 167.6° | 174.2° |
| N10 | C09 | C08 | H13 | 0.4° | 0.2° |
| C22 | O21 | C20 | C15 | 176.7° | 180.0° |
| O21 | C22 | H1 | H2 | 120.0° | 120.0° |
| O21 | C22 | H1 | H3 | 120.0° | 120.0° |
| O21 | C22 | H2 | H3 | 120.0° | 119.9° |
| O21 | C20 | C15 | C16 | 179.4° | 179.7° |
| O21 | C20 | C15 | N14 | 0.3° | 0.0° |
| C20 | O21 | C22 | H1 | 180.0° | 60.0° |
| C20 | O21 | C22 | H2 | 60.0° | 180.0° |
| C20 | O21 | C22 | H3 | 60.0° | 60.1° |
| O21 | C20 | C19 | H15 | 0.1° | 0.4° |
| C20 | C15 | C16 | N14 | 179.7° | 179.8° |
| C20 | C15 | N14 | C13 | 155.9° | 155.2° |
| C20 | C15 | C16 | H14 | 179.5° | 179.7° |
| C15 | C20 | C19 | H15 | 179.7° | 179.7° |
| C20 | C15 | N14 | H32 | 24.0° | 24.8° |
| C16 | C15 | N14 | C13 | 24.3° | 25.1° |
| C16 | C15 | N14 | H32 | 155.7° | 154.9° |
| O38 | S03 | C02 | C01 | 61.9° | 63.3° |
| O38 | S03 | C02 | C40 | 63.4° | 56.7° |
| O38 | S03 | C02 | H9 | 179.2° | 176.7° |
| S03 | C02 | C01 | C40 | 123.0° | 120.0° |
| S03 | C02 | C01 | H9 | 115.3° | 120.0° |
| S03 | C02 | C40 | H9 | 115.4° | 120.0° |
| S03 | C02 | C01 | H6 | 180.0° | 180.0° |
| S03 | C02 | C01 | H7 | 60.0° | 60.1° |
| S03 | C02 | C01 | H8 | 60.0° | 60.0° |
| S03 | C02 | C40 | H28 | 180.0° | 180.0° |
| S03 | C02 | C40 | H29 | 60.0° | 60.0° |
| S03 | C02 | C40 | H30 | 60.0° | 59.9° |
| C15 | N14 | C13 | N12 | 5.6° | 174.0° |
| C15 | N14 | C13 | H32 | 180.0° | 180.0° |
| C15 | N14 | C13 | N32 | 173.5° | 6.0° |
| N14 | C15 | C16 | H14 | 0.2° | 0.1° |
| N10 | C11 | N12 | C34 | 179.0° | 179.9° |
| N10 | C11 | N12 | C13 | 180.0° | 180.0° |
| N10 | C11 | C34 | N35 | 0.8° | 0.0° |
| N10 | C11 | C34 | C33 | 179.6° | 179.9° |
| C11 | N12 | C13 | N14 | 179.7° | 180.0° |
| C11 | N12 | C13 | N32 | 0.6° | 0.0° |
| N12 | C11 | C34 | N35 | 179.9° | 180.0° |
| N12 | C11 | C34 | C33 | 0.5° | 0.0° |
| N12 | C11 | N10 | H31 | 166.6° | 174.2° |
| N12 | C13 | N14 | N32 | 179.1° | 180.0° |
| C13 | N12 | C11 | C34 | 1.0° | 0.0° |
| N12 | C13 | N32 | C33 | 0.3° | 0.0° |
| N12 | C13 | N14 | H32 | 174.3° | 6.0° |
| C01 | C02 | C40 | H9 | 121.8° | 120.0° |
| C02 | C01 | H6 | H7 | 120.0° | 119.9° |
| C02 | C01 | H6 | H8 | 120.0° | 120.0° |
| C02 | C01 | H7 | H8 | 120.0° | 120.1° |
| C01 | C02 | C40 | H28 | 57.2° | 60.0° |
| C01 | C02 | C40 | H29 | 177.2° | 60.0° |
| C01 | C02 | C40 | H30 | 62.8° | 179.9° |
| C40 | C02 | C01 | H6 | 57.0° | 60.0° |
| C40 | C02 | C01 | H7 | 63.0° | 179.9° |
| C40 | C02 | C01 | H8 | 177.0° | 60.0° |
| C02 | C40 | H28 | H29 | 120.0° | 120.0° |
| C02 | C40 | H28 | H30 | 120.0° | 120.1° |
| C02 | C40 | H29 | H30 | 120.0° | 120.0° |
| N14 | C13 | N32 | C33 | 178.7° | 180.0° |
| C11 | C34 | N35 | C33 | 179.7° | 180.0° |
| C11 | C34 | C33 | N32 | 0.4° | 0.0° |
| C11 | C34 | N35 | C36 | 179.7° | 180.0° |
| C11 | C34 | C33 | C37 | 179.7° | 180.0° |
| C34 | C11 | N10 | H31 | 12.4° | 5.8° |
| C11 | C34 | N35 | H34 | 0.3° | 0.0° |
| C13 | N32 | C33 | C34 | 0.9° | 0.0° |
| C13 | N32 | C33 | C37 | 179.9° | 180.0° |
| N32 | C13 | N14 | H32 | 6.6° | 174.0° |
| N35 | C34 | C33 | N32 | 179.3° | 180.0° |
| C34 | N35 | C36 | H34 | 180.0° | 180.0° |
| N35 | C34 | C33 | C37 | 0.0° | 0.0° |
| C34 | N35 | C36 | C37 | 0.1° | 0.0° |
| C34 | N35 | C36 | H26 | 179.9° | 180.0° |
| C34 | C33 | N32 | C37 | 179.0° | 180.0° |
| C33 | C34 | N35 | C36 | 0.1° | 0.0° |
| C34 | C33 | C37 | C36 | 0.1° | 0.0° |
| C34 | C33 | C37 | H27 | 180.0° | 179.9° |
| C33 | C34 | N35 | H34 | 179.9° | 180.0° |
| N32 | C33 | C37 | C36 | 179.2° | 180.0° |
| N32 | C33 | C37 | H27 | 0.8° | 0.1° |
| N35 | C36 | C37 | C33 | 0.1° | 0.0° |
| N35 | C36 | C37 | H26 | 180.0° | 180.0° |
| N35 | C36 | C37 | H27 | 179.9° | 179.9° |
| C33 | C37 | C36 | H27 | 180.0° | 179.9° |
| C33 | C37 | C36 | H26 | 179.9° | 180.0° |
| C37 | C36 | N35 | H34 | 179.9° | 179.9° |
| H1 | C22 | H2 | H3 | 120.0° | 120.0° |
| H4 | C24 | C23 | H16 | 154.9° | 121.8° |
| H4 | C24 | C23 | H17 | 33.0° | 0.6° |
| H5 | C24 | C23 | H16 | 32.7° | 0.3° |
| H5 | C24 | C23 | H17 | 89.2° | 122.7° |
| H6 | C01 | H7 | H8 | 120.0° | 120.0° |
| H6 | C01 | C02 | H9 | 64.7° | 60.0° |
| H7 | C01 | C02 | H9 | 175.3° | 59.9° |
| H8 | C01 | C02 | H9 | 55.3° | 180.0° |
| H9 | C02 | C40 | H28 | 64.6° | 60.0° |
| H9 | C02 | C40 | H29 | 55.4° | NaN° |
| H9 | C02 | C40 | H30 | 175.4° | 60.1° |
| H10 | C05 | C06 | H11 | 0.6° | 0.1° |
| H11 | C06 | C07 | H12 | 0.5° | 0.0° |
| H12 | C07 | C08 | H13 | 0.5° | 0.1° |
| H20 | C29 | H21 | H22 | 120.0° | 120.0° |
| H23 | C30 | H24 | H25 | 120.0° | 120.0° |
| H26 | C36 | C37 | H27 | 0.1° | 0.1° |
| H26 | C36 | N35 | H34 | 0.1° | 0.0° |
| H28 | C40 | H29 | H30 | 120.0° | 120.0° |
