4J1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O23 | N22 | sing | 1.42Å | 1.41Å | |
| N22 | C21 | doub | 1.29Å | 1.25Å | |
| C21 | C20 | sing | 1.47Å | 1.53Å | |
| N19 | C20 | doub | 1.33Å | 1.32Å | Aromatic |
| N19 | C18 | sing | 1.32Å | 1.32Å | Aromatic |
| C17 | C18 | sing | 1.51Å | 1.53Å | |
| C17 | C16 | sing | 1.53Å | 1.53Å | |
| C20 | C24 | sing | 1.40Å | 1.39Å | Aromatic |
| C18 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.53Å | 1.53Å | |
| C24 | O25 | sing | 1.36Å | 1.41Å | |
| C24 | C26 | doub | 1.39Å | 1.39Å | Aromatic |
| C27 | C26 | sing | 1.39Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C14 | N13 | sing | 1.46Å | 1.45Å | |
| N28 | N13 | sing | 1.29Å | 1.36Å | Aromatic |
| N28 | N29 | doub | 1.29Å | 1.37Å | Aromatic |
| N13 | C12 | sing | 1.35Å | 1.32Å | Aromatic |
| N29 | C11 | sing | 1.34Å | 1.34Å | Aromatic |
| O06 | C07 | sing | 1.43Å | 1.40Å | |
| O06 | C05 | sing | 1.43Å | 1.38Å | |
| C12 | C11 | doub | 1.35Å | 1.39Å | Aromatic |
| C07 | C08 | sing | 1.53Å | 1.53Å | |
| O04 | C05 | sing | 1.43Å | 1.46Å | |
| O04 | C03 | sing | 1.43Å | 1.49Å | |
| C11 | C10 | sing | 1.51Å | 1.53Å | |
| C02 | O01 | sing | 1.43Å | 1.40Å | |
| C02 | C03 | sing | 1.53Å | 1.49Å | |
| C08 | C09 | sing | 1.53Å | 1.53Å | |
| C05 | C30 | sing | 1.53Å | 1.53Å | |
| C03 | C34 | sing | 1.53Å | 1.53Å | |
| C10 | C09 | sing | 1.53Å | 1.53Å | |
| C30 | O31 | sing | 1.43Å | 1.44Å | |
| C30 | C32 | sing | 1.53Å | 1.49Å | |
| C34 | C32 | sing | 1.53Å | 1.48Å | |
| C34 | O35 | sing | 1.43Å | 1.44Å | |
| C32 | O33 | sing | 1.43Å | 1.47Å | |
| C02 | H1 | sing | 1.09Å | 1.10Å | |
| C02 | H2 | sing | 1.09Å | 1.10Å | |
| C03 | H3 | sing | 1.09Å | 1.10Å | |
| C05 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C14 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C07 | H9 | sing | 1.09Å | 1.10Å | |
| C07 | H10 | sing | 1.09Å | 1.10Å | |
| C08 | H11 | sing | 1.09Å | 1.10Å | |
| C08 | H12 | sing | 1.09Å | 1.10Å | |
| C09 | H13 | sing | 1.09Å | 1.10Å | |
| C09 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.08Å | 1.08Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| O01 | H20 | sing | 0.97Å | 0.95Å | |
| C17 | H21 | sing | 1.09Å | 1.10Å | |
| C17 | H22 | sing | 1.09Å | 1.10Å | |
| C21 | H23 | sing | 1.08Å | 1.08Å | |
| C26 | H24 | sing | 1.08Å | 1.08Å | |
| C27 | H25 | sing | 1.08Å | 1.08Å | |
| C30 | H26 | sing | 1.09Å | 1.10Å | |
| C32 | H27 | sing | 1.09Å | 1.10Å | |
| C34 | H28 | sing | 1.09Å | 1.10Å | |
| O23 | H29 | sing | 0.97Å | 0.95Å | |
| O25 | H30 | sing | 0.97Å | 0.95Å | |
| O31 | H31 | sing | 0.97Å | 0.95Å | |
| O33 | H32 | sing | 0.97Å | 0.95Å | |
| O35 | H33 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O23 | N22 | C21 | 119.0° | 119.9° |
| N22 | O23 | H29 | 109.5° | 114.0° |
| N22 | C21 | C20 | 117.3° | 120.0° |
| N22 | C21 | H23 | 121.4° | 120.0° |
| C21 | C20 | N19 | 119.0° | 119.8° |
| C21 | C20 | C24 | 120.3° | 119.8° |
| C20 | C21 | H23 | 121.4° | 120.0° |
| C20 | N19 | C18 | 122.0° | 121.7° |
| N19 | C20 | C24 | 120.7° | 120.3° |
| N19 | C18 | C17 | 119.9° | 119.5° |
| N19 | C18 | C27 | 120.4° | 121.1° |
| C18 | C17 | C16 | 111.0° | 109.4° |
| C17 | C18 | C27 | 119.7° | 119.5° |
| C18 | C17 | H21 | 109.1° | 109.5° |
| C18 | C17 | H22 | 109.1° | 109.5° |
| C17 | C16 | C15 | 111.7° | 109.4° |
| C17 | C16 | H18 | 108.9° | 109.4° |
| C17 | C16 | H19 | 108.9° | 109.5° |
| C16 | C17 | H21 | 109.1° | 109.4° |
| C16 | C17 | H22 | 109.1° | 109.5° |
| C20 | C24 | O25 | 120.8° | 120.5° |
| C20 | C24 | C26 | 118.9° | 119.0° |
| C18 | C27 | C26 | 119.6° | 119.5° |
| C18 | C27 | H25 | 120.2° | 120.2° |
| C16 | C15 | C14 | 112.2° | 109.5° |
| C16 | C15 | H16 | 108.8° | 109.5° |
| C16 | C15 | H17 | 108.8° | 109.5° |
| C15 | C16 | H18 | 108.9° | 109.5° |
| C15 | C16 | H19 | 108.9° | 109.5° |
| O25 | C24 | C26 | 120.3° | 120.5° |
| C24 | O25 | H30 | 109.5° | 114.0° |
| C24 | C26 | C27 | 118.3° | 118.4° |
| C24 | C26 | H24 | 120.8° | 120.8° |
| C27 | C26 | H24 | 120.9° | 120.8° |
| C26 | C27 | H25 | 120.2° | 120.3° |
| C15 | C14 | N13 | 109.6° | 109.5° |
| C15 | C14 | H7 | 109.4° | 109.5° |
| C15 | C14 | H8 | 109.4° | 109.5° |
| C14 | C15 | H16 | 108.8° | 109.5° |
| C14 | C15 | H17 | 108.8° | 109.4° |
| C14 | N13 | N28 | 124.7° | 125.9° |
| C14 | N13 | C12 | 125.1° | 125.9° |
| N13 | C14 | H7 | 109.4° | 109.5° |
| N13 | C14 | H8 | 109.4° | 109.5° |
| N13 | N28 | N29 | 107.3° | 110.2° |
| N28 | N13 | C12 | 110.2° | 108.2° |
| N28 | N29 | C11 | 107.5° | 108.9° |
| N13 | C12 | C11 | 106.6° | 106.2° |
| N13 | C12 | H15 | 126.7° | 126.9° |
| N29 | C11 | C12 | 108.4° | 106.5° |
| N29 | C11 | C10 | 125.5° | 126.8° |
| C07 | O06 | C05 | 113.7° | 114.0° |
| O06 | C07 | C08 | 107.6° | 109.4° |
| O06 | C07 | H9 | 110.0° | 109.5° |
| O06 | C07 | H10 | 109.9° | 109.5° |
| O06 | C05 | O04 | 109.9° | 109.5° |
| O06 | C05 | C30 | 109.9° | 109.5° |
| O06 | C05 | H4 | 110.0° | 109.5° |
| C12 | C11 | C10 | 126.1° | 126.7° |
| C11 | C12 | H15 | 126.7° | 126.9° |
| C07 | C08 | C09 | 111.7° | 109.5° |
| C08 | C07 | H9 | 109.9° | 109.5° |
| C08 | C07 | H10 | 109.9° | 109.5° |
| C07 | C08 | H11 | 108.9° | 109.5° |
| C07 | C08 | H12 | 108.9° | 109.5° |
| C05 | O04 | C03 | 110.1° | 114.1° |
| O04 | C05 | C30 | 110.6° | 109.4° |
| O04 | C05 | H4 | 108.7° | 109.5° |
| O04 | C03 | C02 | 109.7° | 109.5° |
| O04 | C03 | C34 | 112.1° | 109.4° |
| O04 | C03 | H3 | 108.6° | 109.5° |
| C11 | C10 | C09 | 110.5° | 109.5° |
| C11 | C10 | H5 | 109.2° | 109.5° |
| C11 | C10 | H6 | 109.2° | 109.5° |
| O01 | C02 | C03 | 108.5° | 109.5° |
| O01 | C02 | H1 | 109.7° | 109.5° |
| O01 | C02 | H2 | 109.7° | 109.5° |
| C02 | O01 | H20 | 109.5° | 114.0° |
| C02 | C03 | C34 | 109.5° | 109.5° |
| C03 | C02 | H1 | 109.7° | 109.4° |
| C03 | C02 | H2 | 109.7° | 109.5° |
| C02 | C03 | H3 | 108.6° | 109.5° |
| C08 | C09 | C10 | 112.7° | 109.5° |
| C09 | C08 | H11 | 108.9° | 109.5° |
| C09 | C08 | H12 | 108.9° | 109.4° |
| C08 | C09 | H13 | 108.7° | 109.4° |
| C08 | C09 | H14 | 108.6° | 109.5° |
| C05 | C30 | O31 | 109.1° | 109.6° |
| C05 | C30 | C32 | 112.5° | 109.2° |
| C30 | C05 | H4 | 107.8° | 109.5° |
| C05 | C30 | H26 | 108.2° | 109.5° |
| C03 | C34 | C32 | 114.1° | 109.2° |
| C03 | C34 | O35 | 107.7° | 109.5° |
| C34 | C03 | H3 | 108.1° | 109.5° |
| C03 | C34 | H28 | 108.2° | 109.5° |
| C09 | C10 | H5 | 109.2° | 109.4° |
| C09 | C10 | H6 | 109.2° | 109.4° |
| C10 | C09 | H13 | 108.7° | 109.5° |
| C10 | C09 | H14 | 108.7° | 109.5° |
| O31 | C30 | C32 | 108.9° | 109.5° |
| O31 | C30 | H26 | 109.5° | 109.5° |
| C30 | O31 | H31 | 109.5° | 114.0° |
| C30 | C32 | C34 | 114.7° | 109.0° |
| C30 | C32 | O33 | 108.0° | 109.6° |
| C32 | C30 | H26 | 108.7° | 109.6° |
| C30 | C32 | H27 | 108.4° | 109.5° |
| C32 | C34 | O35 | 108.6° | 109.5° |
| C34 | C32 | O33 | 108.5° | 109.6° |
| C34 | C32 | H27 | 108.4° | 109.6° |
| C32 | C34 | H28 | 108.8° | 109.6° |
| O35 | C34 | H28 | 109.3° | 109.5° |
| C34 | O35 | H33 | 109.5° | 114.0° |
| O33 | C32 | H27 | 108.7° | 109.6° |
| C32 | O33 | H32 | 109.5° | 114.0° |
| H1 | C02 | H2 | 109.5° | 109.5° |
| H5 | C10 | H6 | 109.4° | 109.5° |
| H7 | C14 | H8 | 109.5° | 109.4° |
| H9 | C07 | H10 | 109.4° | 109.5° |
| H11 | C08 | H12 | 109.4° | 109.5° |
| H13 | C09 | H14 | 109.5° | 109.5° |
| H16 | C15 | H17 | 109.5° | 109.5° |
| H18 | C16 | H19 | 109.4° | 109.5° |
| H21 | C17 | H22 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O23 | N22 | C21 | C20 | 0.1° | 0.0° |
| O23 | N22 | C21 | H23 | 179.9° | 180.0° |
| N22 | C21 | C20 | H23 | 180.0° | 180.0° |
| N22 | C21 | C20 | N19 | 64.4° | 0.3° |
| N22 | C21 | C20 | C24 | 114.9° | 180.0° |
| C21 | N22 | O23 | H29 | 180.0° | 180.0° |
| C21 | C20 | N19 | C24 | 179.3° | 179.8° |
| C21 | C20 | N19 | C18 | 179.7° | 179.7° |
| C21 | C20 | C24 | O25 | 0.1° | 0.0° |
| C21 | C20 | C24 | C26 | 180.0° | 180.0° |
| C20 | N19 | C18 | C17 | 179.7° | 180.0° |
| C20 | N19 | C18 | C27 | 0.1° | 0.3° |
| N19 | C20 | C24 | O25 | 179.4° | 179.7° |
| N19 | C20 | C24 | C26 | 0.7° | 0.2° |
| N19 | C20 | C21 | H23 | 115.5° | 179.7° |
| N19 | C18 | C17 | C27 | 179.8° | 179.7° |
| N19 | C18 | C17 | C16 | 172.9° | 55.3° |
| C18 | N19 | C20 | C24 | 0.4° | 0.0° |
| N19 | C18 | C27 | C26 | 0.1° | 0.3° |
| N19 | C18 | C17 | H21 | 52.7° | 175.3° |
| N19 | C18 | C17 | H22 | 66.8° | 64.7° |
| N19 | C18 | C27 | H25 | 179.9° | 179.8° |
| C18 | C17 | C16 | H21 | 120.2° | 120.0° |
| C18 | C17 | C16 | H22 | 120.3° | 120.0° |
| C18 | C17 | C16 | C15 | 75.8° | 180.0° |
| C17 | C18 | C27 | C26 | 179.7° | 180.0° |
| C18 | C17 | C16 | H18 | 163.9° | 60.0° |
| C18 | C17 | C16 | H19 | 44.6° | 60.0° |
| C18 | C17 | H21 | H22 | 119.3° | 120.1° |
| C17 | C18 | C27 | H25 | 0.3° | 0.1° |
| C16 | C17 | C18 | C27 | 6.8° | 125.0° |
| C17 | C16 | C15 | H18 | 120.3° | 120.0° |
| C17 | C16 | C15 | H19 | 120.4° | 120.0° |
| C17 | C16 | C15 | C14 | 116.1° | 180.0° |
| C17 | C16 | C15 | H16 | 4.4° | 60.0° |
| C17 | C16 | C15 | H17 | 123.5° | 60.0° |
| C17 | C16 | H18 | H19 | 119.0° | 120.0° |
| C16 | C17 | H21 | H22 | 119.3° | 120.0° |
| C20 | C24 | O25 | C26 | 179.9° | 179.9° |
| C20 | C24 | C26 | C27 | 0.7° | 0.2° |
| C24 | C20 | C21 | H23 | 65.1° | 0.0° |
| C20 | C24 | C26 | H24 | 179.3° | 180.0° |
| C20 | C24 | O25 | H30 | 180.0° | 90.0° |
| C18 | C27 | C26 | C24 | 0.4° | 0.1° |
| C18 | C27 | C26 | H25 | 180.0° | 179.9° |
| C27 | C18 | C17 | H21 | 127.1° | 5.1° |
| C27 | C18 | C17 | H22 | 113.4° | 115.0° |
| C18 | C27 | C26 | H24 | 179.6° | 179.7° |
| C16 | C15 | C14 | H16 | 120.4° | 120.0° |
| C16 | C15 | C14 | H17 | 120.4° | 120.0° |
| C16 | C15 | C14 | N13 | 81.8° | 180.0° |
| C16 | C15 | C14 | H7 | 38.2° | 60.0° |
| C16 | C15 | C14 | H8 | 158.2° | 60.0° |
| C16 | C15 | H16 | H17 | 118.7° | 120.0° |
| C15 | C16 | H18 | H19 | 119.0° | 120.0° |
| C15 | C16 | C17 | H21 | 44.5° | 60.0° |
| C15 | C16 | C17 | H22 | 164.0° | 60.0° |
| O25 | C24 | C26 | C27 | 179.4° | 179.8° |
| O25 | C24 | C26 | H24 | 0.6° | 0.1° |
| C24 | C26 | C27 | H24 | 180.0° | 179.8° |
| C24 | C26 | C27 | H25 | 179.6° | 180.0° |
| C26 | C24 | O25 | H30 | 0.0° | 89.9° |
| C15 | C14 | N13 | H7 | 120.0° | 120.0° |
| C15 | C14 | N13 | H8 | 120.0° | 120.0° |
| C15 | C14 | N13 | N28 | 50.9° | 55.0° |
| C15 | C14 | N13 | C12 | 128.3° | 125.0° |
| C15 | C14 | H7 | H8 | 119.9° | 120.0° |
| C14 | C15 | H16 | H17 | 118.7° | 120.0° |
| C14 | C15 | C16 | H18 | 123.6° | 60.0° |
| C14 | C15 | C16 | H19 | 4.3° | 60.1° |
| C14 | N13 | N28 | C12 | 179.3° | 179.9° |
| C14 | N13 | N28 | N29 | 179.5° | 179.8° |
| C14 | N13 | C12 | C11 | 179.7° | 180.0° |
| N13 | C14 | H7 | H8 | 119.9° | 120.0° |
| C14 | N13 | C12 | H15 | 0.3° | 0.2° |
| N13 | C14 | C15 | H16 | 157.8° | 60.0° |
| N13 | C14 | C15 | H17 | 38.7° | 60.0° |
| N13 | N28 | N29 | C11 | 0.2° | 0.4° |
| N28 | N13 | C12 | C11 | 0.5° | 0.1° |
| N28 | N13 | C14 | H7 | 69.1° | 175.1° |
| N28 | N13 | C14 | H8 | 170.9° | 65.0° |
| N28 | N13 | C12 | H15 | 179.6° | 179.8° |
| N29 | N28 | N13 | C12 | 0.2° | 0.3° |
| N28 | N29 | C11 | C12 | 0.4° | 0.4° |
| N28 | N29 | C11 | C10 | 179.7° | 179.6° |
| N13 | C12 | C11 | N29 | 0.6° | 0.2° |
| N13 | C12 | C11 | H15 | 180.0° | 179.8° |
| N13 | C12 | C11 | C10 | 179.8° | 179.8° |
| C12 | N13 | C14 | H7 | 111.7° | 5.0° |
| C12 | N13 | C14 | H8 | 8.3° | 115.0° |
| N29 | C11 | C12 | C10 | 179.3° | 179.9° |
| N29 | C11 | C10 | C09 | 9.5° | 55.0° |
| N29 | C11 | C10 | H5 | 129.7° | 174.9° |
| N29 | C11 | C10 | H6 | 110.7° | 65.0° |
| N29 | C11 | C12 | H15 | 179.5° | 180.0° |
| O06 | C07 | C08 | H9 | 119.7° | 120.0° |
| O06 | C07 | C08 | H10 | 119.7° | 120.0° |
| C07 | O06 | C05 | O04 | 143.4° | 65.0° |
| O06 | C07 | C08 | C09 | 135.7° | 179.9° |
| C07 | O06 | C05 | C30 | 94.7° | 175.0° |
| C07 | O06 | C05 | H4 | 23.8° | 55.0° |
| O06 | C07 | H9 | H10 | 120.8° | 120.0° |
| O06 | C07 | C08 | H11 | 103.9° | 60.0° |
| O06 | C07 | C08 | H12 | 15.3° | 60.0° |
| C05 | O06 | C07 | C08 | 115.7° | 180.0° |
| O06 | C05 | O04 | C30 | 121.4° | 120.0° |
| O06 | C05 | O04 | H4 | 120.4° | 120.0° |
| O06 | C05 | O04 | C03 | 177.4° | 178.9° |
| O06 | C05 | C30 | H4 | 119.8° | 120.0° |
| O06 | C05 | C30 | O31 | 62.5° | 62.5° |
| O06 | C05 | C30 | C32 | 176.6° | 177.6° |
| C05 | O06 | C07 | H9 | 4.0° | 60.0° |
| C05 | O06 | C07 | H10 | 124.6° | 60.0° |
| O06 | C05 | C30 | H26 | 56.5° | 57.7° |
| C12 | C11 | C10 | C09 | 171.3° | 124.9° |
| C12 | C11 | C10 | H5 | 51.2° | 5.0° |
| C12 | C11 | C10 | H6 | 68.5° | 115.1° |
| C07 | C08 | C09 | H11 | 120.4° | 120.0° |
| C07 | C08 | C09 | H12 | 120.3° | 120.0° |
| C07 | C08 | C09 | C10 | 146.4° | 180.0° |
| C08 | C07 | H9 | H10 | 120.8° | 120.0° |
| C07 | C08 | H11 | H12 | 118.9° | 120.0° |
| C07 | C08 | C09 | H13 | 93.1° | 60.0° |
| C07 | C08 | C09 | H14 | 25.9° | 60.0° |
| C05 | O04 | C03 | C02 | 179.4° | 178.9° |
| O04 | C05 | C30 | H4 | 118.7° | 120.0° |
| C05 | O04 | C03 | C34 | 57.4° | 61.2° |
| O04 | C05 | C30 | O31 | 176.1° | 177.5° |
| O04 | C05 | C30 | C32 | 55.2° | 57.6° |
| C05 | O04 | C03 | H3 | 62.0° | 58.9° |
| O04 | C05 | C30 | H26 | 65.0° | 62.3° |
| O04 | C03 | C02 | O01 | 143.4° | 65.1° |
| O04 | C03 | C02 | C34 | 123.5° | 119.9° |
| O04 | C03 | C02 | H3 | 118.6° | 120.0° |
| C03 | O04 | C05 | C30 | 61.2° | 61.2° |
| O04 | C03 | C34 | H3 | 119.7° | 120.0° |
| O04 | C03 | C34 | C32 | 47.2° | 57.6° |
| O04 | C03 | C34 | O35 | 167.9° | 177.5° |
| O04 | C03 | C02 | H1 | 23.6° | 175.0° |
| O04 | C03 | C02 | H2 | 96.8° | 54.9° |
| C03 | O04 | C05 | H4 | 57.0° | 58.8° |
| O04 | C03 | C34 | H28 | 74.1° | 62.3° |
| C11 | C10 | C09 | C08 | 65.9° | 180.0° |
| C11 | C10 | C09 | H5 | 120.2° | 120.0° |
| C11 | C10 | C09 | H6 | 120.2° | 120.0° |
| C11 | C10 | H5 | H6 | 119.5° | 120.1° |
| C11 | C10 | C09 | H13 | 173.6° | 60.0° |
| C11 | C10 | C09 | H14 | 54.6° | 60.0° |
| C10 | C11 | C12 | H15 | 0.2° | 0.1° |
| O01 | C02 | C03 | H1 | 119.9° | 120.0° |
| O01 | C02 | C03 | H2 | 119.8° | 120.0° |
| O01 | C02 | C03 | C34 | 93.1° | 175.0° |
| O01 | C02 | H1 | H2 | 120.4° | 120.0° |
| O01 | C02 | C03 | H3 | 24.8° | 55.0° |
| C02 | C03 | C34 | H3 | 118.3° | 120.0° |
| C02 | C03 | C34 | C32 | 169.2° | 177.6° |
| C02 | C03 | C34 | O35 | 70.1° | 62.5° |
| C03 | C02 | H1 | H2 | 120.5° | 120.0° |
| C03 | C02 | O01 | H20 | 180.0° | 180.0° |
| C02 | C03 | C34 | H28 | 47.9° | 57.6° |
| C08 | C09 | C10 | H13 | 120.5° | 120.0° |
| C08 | C09 | C10 | H14 | 120.5° | 120.0° |
| C08 | C09 | C10 | H5 | 174.0° | 60.0° |
| C08 | C09 | C10 | H6 | 54.3° | 60.0° |
| C09 | C08 | C07 | H9 | 15.9° | 60.0° |
| C09 | C08 | C07 | H10 | 104.6° | 60.0° |
| C09 | C08 | H11 | H12 | 119.0° | 120.0° |
| C08 | C09 | H13 | H14 | 118.5° | 120.0° |
| C05 | C30 | O31 | C32 | 123.1° | 119.7° |
| C05 | C30 | O31 | H26 | 118.1° | 120.2° |
| C05 | C30 | C32 | H26 | 119.8° | 119.9° |
| C05 | C30 | C32 | C34 | 45.0° | 57.0° |
| C05 | C30 | C32 | O33 | 166.1° | 176.8° |
| C05 | C30 | C32 | H27 | 76.3° | 63.0° |
| C05 | C30 | O31 | H31 | 180.0° | 60.0° |
| C03 | C34 | C32 | C30 | 41.3° | 57.0° |
| C03 | C34 | C32 | O35 | 120.2° | 119.9° |
| C03 | C34 | C32 | H28 | 120.9° | 120.0° |
| C03 | C34 | O35 | H28 | 117.3° | 120.2° |
| C03 | C34 | C32 | O33 | 162.2° | 176.9° |
| C34 | C03 | C02 | H1 | 147.0° | 55.0° |
| C34 | C03 | C02 | H2 | 26.7° | 65.0° |
| C03 | C34 | C32 | H27 | 79.9° | 62.9° |
| C03 | C34 | O35 | H33 | 180.0° | 180.0° |
| C09 | C10 | H5 | H6 | 119.5° | 120.0° |
| C10 | C09 | C08 | H11 | 26.0° | 60.0° |
| C10 | C09 | C08 | H12 | 93.2° | 60.0° |
| C10 | C09 | H13 | H14 | 118.5° | 120.1° |
| O31 | C30 | C32 | H26 | 119.2° | 120.1° |
| O31 | C30 | C32 | C34 | 166.0° | 176.9° |
| O31 | C30 | C32 | O33 | 72.9° | 63.2° |
| O31 | C30 | C05 | H4 | 57.4° | 57.5° |
| O31 | C30 | C32 | H27 | 44.7° | 57.0° |
| C30 | C32 | C34 | O33 | 120.9° | 119.9° |
| C30 | C32 | C34 | H27 | 121.2° | 119.9° |
| C30 | C32 | C34 | O35 | 161.5° | 176.9° |
| C30 | C32 | O33 | H27 | 117.4° | 120.2° |
| C32 | C30 | C05 | H4 | 63.6° | 62.4° |
| C30 | C32 | C34 | H28 | 79.6° | 63.0° |
| C32 | C30 | O31 | H31 | 56.8° | 179.7° |
| C30 | C32 | O33 | H32 | 180.0° | 60.0° |
| C32 | C34 | O35 | H28 | 118.6° | 120.2° |
| C34 | C32 | O33 | H27 | 117.7° | 120.3° |
| C32 | C34 | C03 | H3 | 72.6° | 62.4° |
| C34 | C32 | C30 | H26 | 74.8° | 63.0° |
| C34 | C32 | O33 | H32 | 55.1° | 179.5° |
| C32 | C34 | O35 | H33 | 55.9° | 60.3° |
| O35 | C34 | C32 | O33 | 77.6° | 63.2° |
| O35 | C34 | C03 | H3 | 48.1° | 57.5° |
| O35 | C34 | C32 | H27 | 40.3° | 57.0° |
| O33 | C32 | C30 | H26 | 46.3° | 56.9° |
| O33 | C32 | C34 | H28 | 41.3° | 56.9° |
| H1 | C02 | C03 | H3 | 95.0° | 65.0° |
| H1 | C02 | O01 | H20 | 60.1° | 60.1° |
| H2 | C02 | C03 | H3 | 144.6° | 174.9° |
| H2 | C02 | O01 | H20 | 60.2° | 60.0° |
| H3 | C03 | C34 | H28 | 166.2° | 177.7° |
| H4 | C05 | C30 | H26 | 176.3° | 177.7° |
| H5 | C10 | C09 | H13 | 53.4° | 59.9° |
| H5 | C10 | C09 | H14 | 65.6° | 180.0° |
| H6 | C10 | C09 | H13 | 66.2° | 180.0° |
| H6 | C10 | C09 | H14 | 174.7° | 60.0° |
| H7 | C14 | C15 | H16 | 82.2° | 60.0° |
| H7 | C14 | C15 | H17 | 158.7° | 180.0° |
| H8 | C14 | C15 | H16 | 37.8° | 180.0° |
| H8 | C14 | C15 | H17 | 81.4° | 60.0° |
| H9 | C07 | C08 | H11 | 136.3° | 60.0° |
| H9 | C07 | C08 | H12 | 104.4° | 180.0° |
| H10 | C07 | C08 | H11 | 15.8° | NaN° |
| H10 | C07 | C08 | H12 | 135.0° | 60.0° |
| H11 | C08 | C09 | H13 | 146.5° | 60.0° |
| H11 | C08 | C09 | H14 | 94.4° | 180.0° |
| H12 | C08 | C09 | H13 | 27.2° | 180.0° |
| H12 | C08 | C09 | H14 | 146.3° | 60.0° |
| H16 | C15 | C16 | H18 | 116.0° | 180.0° |
| H16 | C15 | C16 | H19 | 124.7° | 59.9° |
| H17 | C15 | C16 | H18 | 3.2° | 59.9° |
| H17 | C15 | C16 | H19 | 116.1° | 180.0° |
| H18 | C16 | C17 | H21 | 75.9° | 180.0° |
| H18 | C16 | C17 | H22 | 43.6° | 60.0° |
| H19 | C16 | C17 | H21 | 164.8° | 60.0° |
| H19 | C16 | C17 | H22 | 75.7° | 180.0° |
| H24 | C26 | C27 | H25 | 0.4° | 0.2° |
| H26 | C30 | C32 | H27 | 163.9° | 177.1° |
| H26 | C30 | O31 | H31 | 61.9° | 60.1° |
| H27 | C32 | C34 | H28 | 159.2° | 177.1° |
| H27 | C32 | O33 | H32 | 62.6° | 60.2° |
| H28 | C34 | O35 | H33 | 62.7° | 59.8° |
