UJO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C32 | C31 | sing | 1.53Å | 1.53Å | |
| C31 | C30 | sing | 1.53Å | 1.53Å | |
| C30 | C29 | sing | 1.53Å | 1.53Å | |
| C29 | C28 | sing | 1.53Å | 1.53Å | |
| C03 | C04 | sing | 1.53Å | 1.53Å | |
| C03 | C02 | sing | 1.53Å | 1.53Å | |
| C05 | C04 | sing | 1.53Å | 1.53Å | |
| C05 | C06 | sing | 1.53Å | 1.53Å | |
| C01 | C02 | sing | 1.53Å | 1.53Å | |
| C28 | C27 | sing | 1.53Å | 1.53Å | |
| C06 | C07 | sing | 1.53Å | 1.53Å | |
| C07 | C08 | sing | 1.53Å | 1.53Å | |
| C27 | C26 | sing | 1.53Å | 1.53Å | |
| C08 | C09 | sing | 1.53Å | 1.52Å | |
| C10 | C09 | sing | 1.53Å | 1.53Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C26 | C25 | sing | 1.53Å | 1.53Å | |
| O13 | C12 | doub | 1.21Å | 1.18Å | |
| C24 | C23 | sing | 1.53Å | 1.53Å | |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| C23 | C22 | sing | 1.53Å | 1.53Å | |
| C11 | C12 | sing | 1.51Å | 1.52Å | |
| O33 | C18 | sing | 1.43Å | 1.40Å | |
| C12 | N14 | sing | 1.35Å | 1.45Å | |
| C22 | C21 | sing | 1.53Å | 1.53Å | |
| C18 | C15 | sing | 1.53Å | 1.53Å | |
| C18 | C19 | sing | 1.51Å | 1.53Å | |
| N14 | C15 | sing | 1.47Å | 1.45Å | |
| C21 | C20 | sing | 1.51Å | 1.53Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C19 | C20 | doub | 1.31Å | 1.32Å | |
| O17 | C16 | sing | 1.43Å | 1.40Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C01 | H7 | sing | 1.09Å | 1.10Å | |
| C02 | H8 | sing | 1.09Å | 1.10Å | |
| C02 | H9 | sing | 1.09Å | 1.10Å | |
| C03 | H10 | sing | 1.09Å | 1.10Å | |
| C03 | H11 | sing | 1.09Å | 1.10Å | |
| C04 | H12 | sing | 1.09Å | 1.10Å | |
| C04 | H13 | sing | 1.09Å | 1.10Å | |
| C05 | H14 | sing | 1.09Å | 1.10Å | |
| C05 | H15 | sing | 1.09Å | 1.10Å | |
| C06 | H16 | sing | 1.09Å | 1.10Å | |
| C06 | H17 | sing | 1.09Å | 1.10Å | |
| C07 | H18 | sing | 1.09Å | 1.10Å | |
| C07 | H19 | sing | 1.09Å | 1.10Å | |
| C08 | H20 | sing | 1.09Å | 1.10Å | |
| C08 | H21 | sing | 1.09Å | 1.10Å | |
| C09 | H22 | sing | 1.09Å | 1.10Å | |
| C09 | H23 | sing | 1.09Å | 1.10Å | |
| C15 | H24 | sing | 1.09Å | 1.10Å | |
| C16 | H25 | sing | 1.09Å | 1.10Å | |
| C16 | H26 | sing | 1.09Å | 1.10Å | |
| C18 | H27 | sing | 1.09Å | 1.10Å | |
| C19 | H28 | sing | 1.08Å | 1.08Å | |
| C20 | H29 | sing | 1.08Å | 1.08Å | |
| C21 | H30 | sing | 1.09Å | 1.10Å | |
| C21 | H31 | sing | 1.09Å | 1.10Å | |
| C22 | H32 | sing | 1.09Å | 1.10Å | |
| C22 | H33 | sing | 1.09Å | 1.10Å | |
| C23 | H34 | sing | 1.09Å | 1.10Å | |
| C23 | H35 | sing | 1.09Å | 1.10Å | |
| C24 | H36 | sing | 1.09Å | 1.10Å | |
| C24 | H37 | sing | 1.09Å | 1.10Å | |
| C25 | H38 | sing | 1.09Å | 1.10Å | |
| C25 | H39 | sing | 1.09Å | 1.10Å | |
| C26 | H40 | sing | 1.09Å | 1.10Å | |
| C26 | H41 | sing | 1.09Å | 1.10Å | |
| C27 | H42 | sing | 1.09Å | 1.10Å | |
| C27 | H43 | sing | 1.09Å | 1.10Å | |
| C28 | H44 | sing | 1.09Å | 1.10Å | |
| C28 | H45 | sing | 1.09Å | 1.10Å | |
| C29 | H46 | sing | 1.09Å | 1.10Å | |
| C29 | H47 | sing | 1.09Å | 1.10Å | |
| C30 | H48 | sing | 1.09Å | 1.10Å | |
| C30 | H49 | sing | 1.09Å | 1.10Å | |
| C31 | H50 | sing | 1.09Å | 1.10Å | |
| C31 | H51 | sing | 1.09Å | 1.10Å | |
| C32 | H52 | sing | 1.09Å | 1.10Å | |
| C32 | H53 | sing | 1.09Å | 1.10Å | |
| C32 | H54 | sing | 1.09Å | 1.10Å | |
| N14 | H55 | sing | 0.97Å | 1.00Å | |
| O17 | H56 | sing | 0.97Å | 0.95Å | |
| O33 | H57 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C32 | C31 | C30 | 112.4° | 109.5° |
| C32 | C31 | H50 | 108.7° | 109.4° |
| C32 | C31 | H51 | 108.7° | 109.4° |
| C31 | C32 | H52 | 109.5° | 109.5° |
| C31 | C32 | H53 | 109.5° | 109.5° |
| C31 | C32 | H54 | 109.5° | 109.4° |
| C31 | C30 | C29 | 112.5° | 109.5° |
| C31 | C30 | H48 | 108.7° | 109.5° |
| C31 | C30 | H49 | 108.7° | 109.5° |
| C30 | C31 | H50 | 108.8° | 109.5° |
| C30 | C31 | H51 | 108.7° | 109.5° |
| C30 | C29 | C28 | 111.5° | 109.5° |
| C30 | C29 | H46 | 109.0° | 109.5° |
| C30 | C29 | H47 | 109.0° | 109.4° |
| C29 | C30 | H48 | 108.7° | 109.4° |
| C29 | C30 | H49 | 108.7° | 109.5° |
| C29 | C28 | C27 | 113.1° | 109.5° |
| C29 | C28 | H44 | 108.6° | 109.4° |
| C29 | C28 | H45 | 108.6° | 109.5° |
| C28 | C29 | H46 | 109.0° | 109.4° |
| C28 | C29 | H47 | 108.9° | 109.5° |
| C04 | C03 | C02 | 112.0° | 109.5° |
| C03 | C04 | C05 | 112.6° | 109.5° |
| C04 | C03 | H10 | 108.8° | 109.5° |
| C04 | C03 | H11 | 108.9° | 109.5° |
| C03 | C04 | H12 | 108.7° | 109.5° |
| C03 | C04 | H13 | 108.7° | 109.5° |
| C03 | C02 | C01 | 112.5° | 109.5° |
| C03 | C02 | H8 | 108.7° | 109.5° |
| C03 | C02 | H9 | 108.7° | 109.5° |
| C02 | C03 | H10 | 108.8° | 109.4° |
| C02 | C03 | H11 | 108.9° | 109.5° |
| C04 | C05 | C06 | 111.7° | 109.5° |
| C05 | C04 | H12 | 108.7° | 109.4° |
| C05 | C04 | H13 | 108.7° | 109.5° |
| C04 | C05 | H14 | 108.9° | 109.4° |
| C04 | C05 | H15 | 108.9° | 109.5° |
| C05 | C06 | C07 | 111.4° | 109.5° |
| C06 | C05 | H14 | 108.9° | 109.4° |
| C06 | C05 | H15 | 108.9° | 109.5° |
| C05 | C06 | H16 | 109.0° | 109.4° |
| C05 | C06 | H17 | 109.0° | 109.5° |
| C02 | C01 | H5 | 109.5° | 109.5° |
| C02 | C01 | H6 | 109.5° | 109.5° |
| C02 | C01 | H7 | 109.5° | 109.4° |
| C01 | C02 | H8 | 108.7° | 109.4° |
| C01 | C02 | H9 | 108.7° | 109.4° |
| C28 | C27 | C26 | 111.6° | 109.5° |
| C28 | C27 | H42 | 108.9° | 109.5° |
| C28 | C27 | H43 | 108.9° | 109.5° |
| C27 | C28 | H44 | 108.6° | 109.5° |
| C27 | C28 | H45 | 108.6° | 109.5° |
| C06 | C07 | C08 | 113.2° | 109.5° |
| C07 | C06 | H16 | 109.0° | 109.5° |
| C07 | C06 | H17 | 109.0° | 109.5° |
| C06 | C07 | H18 | 108.6° | 109.5° |
| C06 | C07 | H19 | 108.5° | 109.5° |
| C07 | C08 | C09 | 111.2° | 109.5° |
| C08 | C07 | H18 | 108.5° | 109.5° |
| C08 | C07 | H19 | 108.5° | 109.5° |
| C07 | C08 | H20 | 109.1° | 109.5° |
| C07 | C08 | H21 | 109.0° | 109.5° |
| C27 | C26 | C25 | 113.2° | 109.5° |
| C27 | C26 | H40 | 108.5° | 109.4° |
| C27 | C26 | H41 | 108.5° | 109.5° |
| C26 | C27 | H42 | 108.9° | 109.4° |
| C26 | C27 | H43 | 109.0° | 109.5° |
| C08 | C09 | C10 | 111.3° | 109.5° |
| C09 | C08 | H20 | 109.0° | 109.5° |
| C09 | C08 | H21 | 109.0° | 109.5° |
| C08 | C09 | H22 | 109.0° | 109.5° |
| C08 | C09 | H23 | 109.0° | 109.5° |
| C09 | C10 | C11 | 112.2° | 109.5° |
| C09 | C10 | H1 | 108.8° | 109.5° |
| C09 | C10 | H2 | 108.8° | 109.4° |
| C10 | C09 | H22 | 109.0° | 109.5° |
| C10 | C09 | H23 | 109.0° | 109.4° |
| C10 | C11 | C12 | 112.3° | 109.4° |
| C11 | C10 | H1 | 108.8° | 109.5° |
| C11 | C10 | H2 | 108.8° | 109.5° |
| C10 | C11 | H3 | 108.8° | 109.5° |
| C10 | C11 | H4 | 108.8° | 109.5° |
| C26 | C25 | C24 | 113.2° | 109.5° |
| C26 | C25 | H38 | 108.5° | 109.5° |
| C26 | C25 | H39 | 108.5° | 109.5° |
| C25 | C26 | H40 | 108.5° | 109.5° |
| C25 | C26 | H41 | 108.5° | 109.5° |
| O13 | C12 | C11 | 119.9° | 120.0° |
| O13 | C12 | N14 | 120.0° | 120.0° |
| C23 | C24 | C25 | 111.7° | 109.5° |
| C24 | C23 | C22 | 113.0° | 109.5° |
| C24 | C23 | H34 | 108.5° | 109.4° |
| C24 | C23 | H35 | 108.6° | 109.4° |
| C23 | C24 | H36 | 108.9° | 109.5° |
| C23 | C24 | H37 | 108.9° | 109.5° |
| C25 | C24 | H36 | 108.9° | 109.4° |
| C25 | C24 | H37 | 108.9° | 109.5° |
| C24 | C25 | H38 | 108.5° | 109.4° |
| C24 | C25 | H39 | 108.5° | 109.5° |
| C23 | C22 | C21 | 111.6° | 109.5° |
| C23 | C22 | H32 | 108.9° | 109.5° |
| C23 | C22 | H33 | 108.9° | 109.5° |
| C22 | C23 | H34 | 108.6° | 109.5° |
| C22 | C23 | H35 | 108.6° | 109.5° |
| C11 | C12 | N14 | 120.1° | 120.0° |
| C12 | C11 | H3 | 108.8° | 109.5° |
| C12 | C11 | H4 | 108.8° | 109.5° |
| O33 | C18 | C15 | 107.6° | 109.5° |
| O33 | C18 | C19 | 111.5° | 109.5° |
| O33 | C18 | H27 | 111.3° | 109.5° |
| C18 | O33 | H57 | 109.5° | 113.9° |
| C12 | N14 | C15 | 120.3° | 120.1° |
| C12 | N14 | H55 | 119.8° | 120.0° |
| C22 | C21 | C20 | 108.1° | 109.5° |
| C22 | C21 | H30 | 109.8° | 109.4° |
| C22 | C21 | H31 | 109.8° | 109.4° |
| C21 | C22 | H32 | 109.0° | 109.4° |
| C21 | C22 | H33 | 109.0° | 109.4° |
| C15 | C18 | C19 | 107.6° | 109.4° |
| C18 | C15 | N14 | 108.4° | 109.5° |
| C18 | C15 | C16 | 110.1° | 109.5° |
| C18 | C15 | H24 | 109.3° | 109.5° |
| C15 | C18 | H27 | 109.4° | 109.5° |
| C18 | C19 | C20 | 125.0° | 120.0° |
| C19 | C18 | H27 | 109.4° | 109.4° |
| C18 | C19 | H28 | 117.5° | 120.0° |
| N14 | C15 | C16 | 109.4° | 109.5° |
| N14 | C15 | H24 | 110.3° | 109.4° |
| C15 | N14 | H55 | 119.9° | 120.0° |
| C21 | C20 | C19 | 123.7° | 120.0° |
| C21 | C20 | H29 | 118.1° | 120.0° |
| C20 | C21 | H30 | 109.8° | 109.4° |
| C20 | C21 | H31 | 109.8° | 109.5° |
| C15 | C16 | O17 | 108.3° | 109.4° |
| C16 | C15 | H24 | 109.3° | 109.4° |
| C15 | C16 | H25 | 109.8° | 109.5° |
| C15 | C16 | H26 | 109.8° | 109.5° |
| C20 | C19 | H28 | 117.5° | 120.0° |
| C19 | C20 | H29 | 118.1° | 120.0° |
| O17 | C16 | H25 | 109.8° | 109.4° |
| O17 | C16 | H26 | 109.8° | 109.5° |
| C16 | O17 | H56 | 109.5° | 114.0° |
| H1 | C10 | H2 | 109.5° | 109.5° |
| H3 | C11 | H4 | 109.4° | 109.5° |
| H5 | C01 | H6 | 109.5° | 109.5° |
| H5 | C01 | H7 | 109.4° | 109.5° |
| H6 | C01 | H7 | 109.5° | 109.5° |
| H8 | C02 | H9 | 109.5° | 109.5° |
| H10 | C03 | H11 | 109.5° | 109.5° |
| H12 | C04 | H13 | 109.5° | 109.4° |
| H14 | C05 | H15 | 109.4° | 109.5° |
| H16 | C06 | H17 | 109.4° | 109.5° |
| H18 | C07 | H19 | 109.5° | 109.5° |
| H20 | C08 | H21 | 109.5° | 109.5° |
| H22 | C09 | H23 | 109.5° | 109.5° |
| H25 | C16 | H26 | 109.5° | 109.5° |
| H30 | C21 | H31 | 109.5° | 109.5° |
| H32 | C22 | H33 | 109.4° | 109.5° |
| H34 | C23 | H35 | 109.5° | 109.5° |
| H36 | C24 | H37 | 109.5° | 109.5° |
| H38 | C25 | H39 | 109.5° | 109.5° |
| H40 | C26 | H41 | 109.5° | 109.5° |
| H42 | C27 | H43 | 109.5° | 109.5° |
| H44 | C28 | H45 | 109.5° | 109.5° |
| H46 | C29 | H47 | 109.5° | 109.5° |
| H48 | C30 | H49 | 109.4° | 109.5° |
| H50 | C31 | H51 | 109.5° | 109.5° |
| H52 | C32 | H53 | 109.5° | 109.5° |
| H52 | C32 | H54 | 109.4° | 109.5° |
| H53 | C32 | H54 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C32 | C31 | C30 | H50 | 120.4° | 120.0° |
| C32 | C31 | C30 | H51 | 120.4° | 120.0° |
| C32 | C31 | C30 | C29 | 170.9° | 180.0° |
| C32 | C31 | C30 | H48 | 50.4° | 60.0° |
| C32 | C31 | C30 | H49 | 68.6° | 60.0° |
| C32 | C31 | H50 | H51 | 118.6° | 119.9° |
| C31 | C32 | H52 | H53 | 120.0° | 120.0° |
| C31 | C32 | H52 | H54 | 120.0° | 120.0° |
| C31 | C32 | H53 | H54 | 120.0° | 120.0° |
| C31 | C30 | C29 | H48 | 120.5° | 120.0° |
| C31 | C30 | C29 | H49 | 120.5° | 120.0° |
| C31 | C30 | C29 | C28 | 165.5° | 180.0° |
| C31 | C30 | C29 | H46 | 74.2° | 60.0° |
| C31 | C30 | C29 | H47 | 45.2° | 59.9° |
| C31 | C30 | H48 | H49 | 118.6° | 120.1° |
| C30 | C31 | H50 | H51 | 118.7° | 120.1° |
| C30 | C31 | C32 | H52 | 180.0° | 180.0° |
| C30 | C31 | C32 | H53 | 60.0° | 60.0° |
| C30 | C31 | C32 | H54 | 60.0° | 59.9° |
| C30 | C29 | C28 | H46 | 120.3° | 120.0° |
| C30 | C29 | C28 | H47 | 120.3° | 120.0° |
| C30 | C29 | C28 | C27 | 160.9° | 180.0° |
| C30 | C29 | C28 | H44 | 78.5° | 60.0° |
| C30 | C29 | C28 | H45 | 40.4° | 60.0° |
| C30 | C29 | H46 | H47 | 119.1° | 120.0° |
| C29 | C30 | H48 | H49 | 118.6° | 119.9° |
| C29 | C30 | C31 | H50 | 68.7° | 60.0° |
| C29 | C30 | C31 | H51 | 50.5° | 60.0° |
| C29 | C28 | C27 | H44 | 120.5° | 119.9° |
| C29 | C28 | C27 | H45 | 120.6° | 120.0° |
| C29 | C28 | C27 | C26 | 163.6° | 180.0° |
| C29 | C28 | C27 | H42 | 43.3° | 60.1° |
| C29 | C28 | C27 | H43 | 76.1° | 60.0° |
| C29 | C28 | H44 | H45 | 118.4° | 120.0° |
| C28 | C29 | H46 | H47 | 119.1° | 120.1° |
| C28 | C29 | C30 | H48 | 45.0° | 60.0° |
| C28 | C29 | C30 | H49 | 74.0° | 60.0° |
| C04 | C03 | C02 | H10 | 120.4° | 120.0° |
| C04 | C03 | C02 | H11 | 120.4° | 120.0° |
| C03 | C04 | C05 | H12 | 120.4° | 120.1° |
| C03 | C04 | C05 | H13 | 120.5° | 120.0° |
| C03 | C04 | C05 | C06 | 140.9° | 180.0° |
| C04 | C03 | C02 | C01 | 138.2° | 180.0° |
| C04 | C03 | C02 | H8 | 101.3° | 60.0° |
| C04 | C03 | C02 | H9 | 17.7° | 60.1° |
| C04 | C03 | H10 | H11 | 118.9° | 120.0° |
| C03 | C04 | H12 | H13 | 118.6° | 120.0° |
| C03 | C04 | C05 | H14 | 20.5° | 60.0° |
| C03 | C04 | C05 | H15 | 98.8° | 60.0° |
| C02 | C03 | C04 | C05 | 137.3° | 180.0° |
| C03 | C02 | C01 | H8 | 120.5° | 120.0° |
| C03 | C02 | C01 | H9 | 120.4° | 120.0° |
| C03 | C02 | C01 | H5 | 180.0° | 180.0° |
| C03 | C02 | C01 | H6 | 60.0° | 60.0° |
| C03 | C02 | C01 | H7 | 60.0° | 60.0° |
| C03 | C02 | H8 | H9 | 118.6° | 120.1° |
| C02 | C03 | H10 | H11 | 118.9° | 120.0° |
| C02 | C03 | C04 | H12 | 102.2° | 60.0° |
| C02 | C03 | C04 | H13 | 16.8° | 60.0° |
| C04 | C05 | C06 | H14 | 120.4° | 119.9° |
| C04 | C05 | C06 | H15 | 120.3° | 120.0° |
| C04 | C05 | C06 | C07 | 97.9° | 180.0° |
| C05 | C04 | C03 | H10 | 102.3° | 60.0° |
| C05 | C04 | C03 | H11 | 16.9° | 60.0° |
| C05 | C04 | H12 | H13 | 118.6° | 120.0° |
| C04 | C05 | H14 | H15 | 118.9° | 120.0° |
| C04 | C05 | C06 | H16 | 141.8° | 60.0° |
| C04 | C05 | C06 | H17 | 22.4° | 59.9° |
| C05 | C06 | C07 | H16 | 120.3° | 119.9° |
| C05 | C06 | C07 | H17 | 120.3° | 120.0° |
| C05 | C06 | C07 | C08 | 171.3° | 179.9° |
| C06 | C05 | C04 | H12 | 98.7° | 60.0° |
| C06 | C05 | C04 | H13 | 20.4° | 59.9° |
| C06 | C05 | H14 | H15 | 119.0° | 120.0° |
| C05 | C06 | H16 | H17 | 119.1° | 120.0° |
| C05 | C06 | C07 | H18 | 68.2° | 60.0° |
| C05 | C06 | C07 | H19 | 50.8° | 60.0° |
| C02 | C01 | H5 | H6 | 120.0° | 120.0° |
| C02 | C01 | H5 | H7 | 120.0° | 120.0° |
| C02 | C01 | H6 | H7 | 120.0° | 119.9° |
| C01 | C02 | H8 | H9 | 118.6° | 119.9° |
| C01 | C02 | C03 | H10 | 17.8° | 60.0° |
| C01 | C02 | C03 | H11 | 101.4° | 60.0° |
| C28 | C27 | C26 | H42 | 120.3° | 119.9° |
| C28 | C27 | C26 | H43 | 120.3° | 120.1° |
| C28 | C27 | C26 | C25 | 172.7° | 180.0° |
| C28 | C27 | C26 | H40 | 52.2° | 60.1° |
| C28 | C27 | C26 | H41 | 66.7° | 59.9° |
| C28 | C27 | H42 | H43 | 119.0° | 120.0° |
| C27 | C28 | H44 | H45 | 118.3° | 120.0° |
| C27 | C28 | C29 | H46 | 40.6° | 60.1° |
| C27 | C28 | C29 | H47 | 78.8° | 60.0° |
| C06 | C07 | C08 | H18 | 120.6° | 120.0° |
| C06 | C07 | C08 | H19 | 120.5° | 120.0° |
| C06 | C07 | C08 | C09 | 140.6° | 180.0° |
| C07 | C06 | C05 | H14 | 22.5° | 60.0° |
| C07 | C06 | C05 | H15 | 141.8° | 60.0° |
| C07 | C06 | H16 | H17 | 119.1° | 120.0° |
| C06 | C07 | H18 | H19 | 118.3° | 120.0° |
| C06 | C07 | C08 | H20 | 99.2° | 60.0° |
| C06 | C07 | C08 | H21 | 20.3° | 60.0° |
| C07 | C08 | C09 | H20 | 120.3° | 120.0° |
| C07 | C08 | C09 | H21 | 120.2° | 120.0° |
| C07 | C08 | C09 | C10 | 68.7° | 180.0° |
| C08 | C07 | C06 | H16 | 51.0° | 60.0° |
| C08 | C07 | C06 | H17 | 68.4° | 60.0° |
| C08 | C07 | H18 | H19 | 118.3° | 120.0° |
| C07 | C08 | H20 | H21 | 119.2° | 120.0° |
| C07 | C08 | C09 | H22 | 171.0° | 60.0° |
| C07 | C08 | C09 | H23 | 51.6° | 60.0° |
| C27 | C26 | C25 | H40 | 120.5° | 119.9° |
| C27 | C26 | C25 | H41 | 120.6° | 120.0° |
| C27 | C26 | C25 | C24 | 51.2° | 180.0° |
| C27 | C26 | C25 | H38 | 69.4° | 60.1° |
| C27 | C26 | C25 | H39 | 171.7° | 60.0° |
| C27 | C26 | H40 | H41 | 118.3° | 120.0° |
| C26 | C27 | H42 | H43 | 119.1° | 120.0° |
| C26 | C27 | C28 | H44 | 75.9° | 60.1° |
| C26 | C27 | C28 | H45 | 43.0° | 60.0° |
| C08 | C09 | C10 | H22 | 120.3° | 120.0° |
| C08 | C09 | C10 | H23 | 120.3° | 120.0° |
| C08 | C09 | C10 | C11 | 177.3° | 180.0° |
| C08 | C09 | C10 | H1 | 62.3° | 60.0° |
| C08 | C09 | C10 | H2 | 56.9° | 60.0° |
| C09 | C08 | C07 | H18 | 20.0° | 60.0° |
| C09 | C08 | C07 | H19 | 98.9° | 60.0° |
| C09 | C08 | H20 | H21 | 119.2° | 120.0° |
| C08 | C09 | H22 | H23 | 119.2° | 120.0° |
| C09 | C10 | C11 | H1 | 120.4° | 120.0° |
| C09 | C10 | C11 | H2 | 120.4° | 119.9° |
| C09 | C10 | C11 | C12 | 124.2° | 180.0° |
| C09 | C10 | H1 | H2 | 118.7° | 119.9° |
| C09 | C10 | C11 | H3 | 3.8° | 60.0° |
| C09 | C10 | C11 | H4 | 115.4° | 60.0° |
| C10 | C09 | C08 | H20 | 51.5° | 60.0° |
| C10 | C09 | C08 | H21 | 171.0° | 60.0° |
| C10 | C09 | H22 | H23 | 119.2° | 119.9° |
| C10 | C11 | C12 | O13 | 36.3° | 0.0° |
| C10 | C11 | C12 | H3 | 120.4° | 120.0° |
| C10 | C11 | C12 | H4 | 120.4° | 120.0° |
| C10 | C11 | C12 | N14 | 143.8° | 180.0° |
| C11 | C10 | H1 | H2 | 118.7° | 120.1° |
| C10 | C11 | H3 | H4 | 118.7° | 120.0° |
| C11 | C10 | C09 | H22 | 57.0° | 60.0° |
| C11 | C10 | C09 | H23 | 62.5° | 60.0° |
| C26 | C25 | C24 | C23 | 142.2° | 180.0° |
| C26 | C25 | C24 | H38 | 120.6° | 119.9° |
| C26 | C25 | C24 | H39 | 120.6° | 120.1° |
| C26 | C25 | C24 | H36 | 21.8° | 60.1° |
| C26 | C25 | C24 | H37 | 97.5° | 60.0° |
| C26 | C25 | H38 | H39 | 118.3° | 120.0° |
| C25 | C26 | H40 | H41 | 118.3° | 120.1° |
| C25 | C26 | C27 | H42 | 67.0° | 60.1° |
| C25 | C26 | C27 | H43 | 52.4° | 59.9° |
| O13 | C12 | C11 | N14 | 179.9° | 180.0° |
| O13 | C12 | N14 | C15 | 0.2° | 0.0° |
| O13 | C12 | C11 | H3 | 156.8° | 120.0° |
| O13 | C12 | C11 | H4 | 84.1° | 120.0° |
| O13 | C12 | N14 | H55 | 179.8° | 180.0° |
| C23 | C24 | C25 | H36 | 120.3° | 120.0° |
| C23 | C24 | C25 | H37 | 120.3° | 120.0° |
| C24 | C23 | C22 | H34 | 120.5° | 120.0° |
| C24 | C23 | C22 | H35 | 120.5° | 120.0° |
| C24 | C23 | C22 | C21 | 141.3° | 180.0° |
| C24 | C23 | C22 | H32 | 20.9° | 60.0° |
| C24 | C23 | C22 | H33 | 98.4° | 60.0° |
| C24 | C23 | H34 | H35 | 118.4° | 119.9° |
| C23 | C24 | H36 | H37 | 119.0° | 120.0° |
| C23 | C24 | C25 | H38 | 21.6° | 60.0° |
| C23 | C24 | C25 | H39 | 97.3° | 60.0° |
| C25 | C24 | C23 | C22 | 85.7° | 180.0° |
| C25 | C24 | C23 | H34 | 153.7° | 60.0° |
| C25 | C24 | C23 | H35 | 34.8° | 59.9° |
| C25 | C24 | H36 | H37 | 119.0° | 120.0° |
| C24 | C25 | H38 | H39 | 118.3° | 120.0° |
| C24 | C25 | C26 | H40 | 171.7° | 60.1° |
| C24 | C25 | C26 | H41 | 69.4° | 60.0° |
| C23 | C22 | C21 | H32 | 120.3° | 120.0° |
| C23 | C22 | C21 | H33 | 120.3° | 120.1° |
| C23 | C22 | C21 | C20 | 95.2° | 180.0° |
| C23 | C22 | C21 | H30 | 145.1° | 60.1° |
| C23 | C22 | C21 | H31 | 24.6° | 59.9° |
| C23 | C22 | H32 | H33 | 119.0° | 120.1° |
| C22 | C23 | H34 | H35 | 118.4° | 120.1° |
| C22 | C23 | C24 | H36 | 153.9° | 60.0° |
| C22 | C23 | C24 | H37 | 34.6° | 60.0° |
| C11 | C12 | N14 | C15 | 179.7° | 180.0° |
| C12 | C11 | C10 | H1 | 115.4° | 60.0° |
| C12 | C11 | C10 | H2 | 3.8° | 60.0° |
| C12 | C11 | H3 | H4 | 118.7° | 120.0° |
| C11 | C12 | N14 | H55 | 0.3° | 0.0° |
| O33 | C18 | C15 | C19 | 120.3° | 120.0° |
| O33 | C18 | C15 | H27 | 121.0° | 120.1° |
| O33 | C18 | C19 | H27 | 123.5° | 120.0° |
| O33 | C18 | C15 | N14 | 68.2° | 61.0° |
| O33 | C18 | C15 | C16 | 172.1° | 59.1° |
| O33 | C18 | C19 | C20 | 50.2° | 126.3° |
| O33 | C18 | C15 | H24 | 52.1° | 179.1° |
| O33 | C18 | C19 | H28 | 129.8° | 53.7° |
| C12 | N14 | C15 | C18 | 86.1° | 155.0° |
| C12 | N14 | C15 | H55 | 180.0° | 180.0° |
| C12 | N14 | C15 | C16 | 153.8° | 84.9° |
| N14 | C12 | C11 | H3 | 23.4° | 60.0° |
| N14 | C12 | C11 | H4 | 95.8° | 60.0° |
| C12 | N14 | C15 | H24 | 33.6° | 35.0° |
| C22 | C21 | C20 | H30 | 119.8° | 119.9° |
| C22 | C21 | C20 | H31 | 119.8° | 120.0° |
| C22 | C21 | C20 | C19 | 122.3° | 127.2° |
| C22 | C21 | C20 | H29 | 57.7° | 52.7° |
| C22 | C21 | H30 | H31 | 120.6° | 120.0° |
| C21 | C22 | H32 | H33 | 119.0° | 119.9° |
| C21 | C22 | C23 | H34 | 98.2° | 60.0° |
| C21 | C22 | C23 | H35 | 20.7° | 60.0° |
| C15 | C18 | C19 | H27 | 118.7° | 120.0° |
| C18 | C15 | N14 | C16 | 120.1° | 120.1° |
| C18 | C15 | N14 | H24 | 119.7° | 120.0° |
| C18 | C15 | C16 | H24 | 120.1° | 120.0° |
| C15 | C18 | C19 | C20 | 168.0° | 113.7° |
| C18 | C15 | C16 | O17 | 169.2° | 56.2° |
| C18 | C15 | C16 | H25 | 70.9° | 63.7° |
| C18 | C15 | C16 | H26 | 49.4° | 176.2° |
| C15 | C18 | C19 | H28 | 12.0° | 66.3° |
| C18 | C15 | N14 | H55 | 93.9° | 25.1° |
| C15 | C18 | O33 | H57 | 13.1° | 175.0° |
| C19 | C18 | C15 | N14 | 52.0° | 179.0° |
| C18 | C19 | C20 | C21 | 0.3° | 7.5° |
| C19 | C18 | C15 | C16 | 67.6° | 60.9° |
| C18 | C19 | C20 | H28 | 180.0° | 179.9° |
| C19 | C18 | C15 | H24 | 172.3° | 59.1° |
| C18 | C19 | C20 | H29 | 179.7° | 172.5° |
| C19 | C18 | O33 | H57 | 104.6° | 65.0° |
| N14 | C15 | C16 | H24 | 120.9° | 119.9° |
| N14 | C15 | C16 | O17 | 71.7° | 63.8° |
| N14 | C15 | C16 | H25 | 48.1° | 176.3° |
| N14 | C15 | C16 | H26 | 168.5° | 56.2° |
| N14 | C15 | C18 | H27 | 170.7° | 59.1° |
| C21 | C20 | C19 | H29 | 180.0° | 179.9° |
| C21 | C20 | C19 | H28 | 179.7° | 172.5° |
| C20 | C21 | H30 | H31 | 120.6° | 120.1° |
| C20 | C21 | C22 | H32 | 25.1° | 60.0° |
| C20 | C21 | C22 | H33 | 144.5° | 60.0° |
| C15 | C16 | O17 | H25 | 119.8° | 120.0° |
| C15 | C16 | O17 | H26 | 119.8° | 120.0° |
| C15 | C16 | H25 | H26 | 120.5° | 120.0° |
| C16 | C15 | C18 | H27 | 51.1° | 179.1° |
| C16 | C15 | N14 | H55 | 26.2° | 95.0° |
| C15 | C16 | O17 | H56 | 180.0° | 180.0° |
| C20 | C19 | C18 | H27 | 73.3° | 6.3° |
| C19 | C20 | C21 | H30 | 117.9° | 112.8° |
| C19 | C20 | C21 | H31 | 2.5° | 7.2° |
| O17 | C16 | C15 | H24 | 49.2° | 176.3° |
| O17 | C16 | H25 | H26 | 120.6° | 120.0° |
| H1 | C10 | C11 | H3 | 124.2° | 60.0° |
| H1 | C10 | C11 | H4 | 5.0° | 180.0° |
| H1 | C10 | C09 | H22 | 177.4° | 180.0° |
| H1 | C10 | C09 | H23 | 58.0° | 60.0° |
| H2 | C10 | C11 | H3 | 116.6° | 180.0° |
| H2 | C10 | C11 | H4 | 124.2° | 59.9° |
| H2 | C10 | C09 | H22 | 63.4° | 60.0° |
| H2 | C10 | C09 | H23 | 177.2° | 180.0° |
| H5 | C01 | H6 | H7 | 120.0° | 120.0° |
| H5 | C01 | C02 | H8 | 59.5° | 60.0° |
| H5 | C01 | C02 | H9 | 59.6° | 60.0° |
| H6 | C01 | C02 | H8 | 179.5° | 60.0° |
| H6 | C01 | C02 | H9 | 60.4° | 180.0° |
| H7 | C01 | C02 | H8 | 60.5° | 180.0° |
| H7 | C01 | C02 | H9 | 179.6° | 60.0° |
| H8 | C02 | C03 | H10 | 138.3° | 180.0° |
| H8 | C02 | C03 | H11 | 19.1° | 60.0° |
| H9 | C02 | C03 | H10 | 102.7° | 59.9° |
| H9 | C02 | C03 | H11 | 138.1° | 179.9° |
| H10 | C03 | C04 | H12 | 18.2° | 180.0° |
| H10 | C03 | C04 | H13 | 137.2° | 60.0° |
| H11 | C03 | C04 | H12 | 137.4° | 60.0° |
| H11 | C03 | C04 | H13 | 103.6° | 180.0° |
| H12 | C04 | C05 | H14 | 141.0° | 179.9° |
| H12 | C04 | C05 | H15 | 21.7° | 60.1° |
| H13 | C04 | C05 | H14 | 99.9° | 60.0° |
| H13 | C04 | C05 | H15 | 140.8° | 180.0° |
| H14 | C05 | C06 | H16 | 97.8° | 180.0° |
| H14 | C05 | C06 | H17 | 142.8° | 60.0° |
| H15 | C05 | C06 | H16 | 21.5° | 60.0° |
| H15 | C05 | C06 | H17 | 97.9° | 180.0° |
| H16 | C06 | C07 | H18 | 171.5° | 180.0° |
| H16 | C06 | C07 | H19 | 69.5° | 60.0° |
| H17 | C06 | C07 | H18 | 52.2° | 60.0° |
| H17 | C06 | C07 | H19 | 171.1° | 180.0° |
| H18 | C07 | C08 | H20 | 140.3° | 180.0° |
| H18 | C07 | C08 | H21 | 100.2° | 60.0° |
| H19 | C07 | C08 | H20 | 21.4° | 60.0° |
| H19 | C07 | C08 | H21 | 140.9° | 180.0° |
| H20 | C08 | C09 | H22 | 68.7° | 60.0° |
| H20 | C08 | C09 | H23 | 171.8° | 180.0° |
| H21 | C08 | C09 | H22 | 50.7° | 180.0° |
| H21 | C08 | C09 | H23 | 68.7° | 60.0° |
| H24 | C15 | C16 | H25 | 169.0° | 56.3° |
| H24 | C15 | C16 | H26 | 70.6° | 63.7° |
| H24 | C15 | C18 | H27 | 69.0° | 60.9° |
| H24 | C15 | N14 | H55 | 146.5° | 145.1° |
| H25 | C16 | O17 | H56 | 60.2° | 60.0° |
| H26 | C16 | O17 | H56 | 60.2° | 60.0° |
| H27 | C18 | C19 | H28 | 106.7° | 173.7° |
| H27 | C18 | O33 | H57 | 133.0° | 54.9° |
| H28 | C19 | C20 | H29 | 0.2° | 7.4° |
| H29 | C20 | C21 | H30 | 62.1° | 67.2° |
| H29 | C20 | C21 | H31 | 177.5° | 172.7° |
| H30 | C21 | C22 | H32 | 94.6° | 179.9° |
| H30 | C21 | C22 | H33 | 24.7° | 60.0° |
| H31 | C21 | C22 | H32 | 144.9° | 60.1° |
| H31 | C21 | C22 | H33 | 95.7° | NaN° |
| H32 | C22 | C23 | H34 | 141.4° | 180.0° |
| H32 | C22 | C23 | H35 | 99.6° | 60.0° |
| H33 | C22 | C23 | H34 | 22.1° | 60.0° |
| H33 | C22 | C23 | H35 | 141.1° | 180.0° |
| H34 | C23 | C24 | H36 | 33.4° | 180.0° |
| H34 | C23 | C24 | H37 | 85.9° | 60.0° |
| H35 | C23 | C24 | H36 | 85.6° | 60.0° |
| H35 | C23 | C24 | H37 | 155.1° | 180.0° |
| H36 | C24 | C25 | H38 | 98.7° | 180.0° |
| H36 | C24 | C25 | H39 | 142.4° | 60.0° |
| H37 | C24 | C25 | H38 | 141.9° | 60.0° |
| H37 | C24 | C25 | H39 | 23.1° | 180.0° |
| H38 | C25 | C26 | H40 | 51.1° | NaN° |
| H38 | C25 | C26 | H41 | 170.0° | 60.0° |
| H39 | C25 | C26 | H40 | 67.7° | 60.0° |
| H39 | C25 | C26 | H41 | 51.2° | 180.0° |
| H40 | C26 | C27 | H42 | 172.5° | 180.0° |
| H40 | C26 | C27 | H43 | 68.1° | 60.0° |
| H41 | C26 | C27 | H42 | 53.6° | 60.0° |
| H41 | C26 | C27 | H43 | 173.0° | 180.0° |
| H42 | C27 | C28 | H44 | 163.8° | 180.0° |
| H42 | C27 | C28 | H45 | 77.3° | 60.0° |
| H43 | C27 | C28 | H44 | 44.5° | 60.0° |
| H43 | C27 | C28 | H45 | 163.4° | 180.0° |
| H44 | C28 | C29 | H46 | 161.2° | NaN° |
| H44 | C28 | C29 | H47 | 41.8° | 60.0° |
| H45 | C28 | C29 | H46 | 79.9° | 60.0° |
| H45 | C28 | C29 | H47 | 160.7° | 180.0° |
| H46 | C29 | C30 | H48 | 165.3° | 180.0° |
| H46 | C29 | C30 | H49 | 46.3° | 60.0° |
| H47 | C29 | C30 | H48 | 75.2° | 60.1° |
| H47 | C29 | C30 | H49 | 165.7° | 180.0° |
| H48 | C30 | C31 | H50 | 170.8° | NaN° |
| H48 | C30 | C31 | H51 | 70.0° | 60.0° |
| H49 | C30 | C31 | H50 | 51.8° | 60.0° |
| H49 | C30 | C31 | H51 | 171.0° | 180.0° |
| H50 | C31 | C32 | H52 | 59.5° | 60.0° |
| H50 | C31 | C32 | H53 | 60.5° | 180.0° |
| H50 | C31 | C32 | H54 | 179.5° | 60.1° |
| H51 | C31 | C32 | H52 | 59.6° | 60.0° |
| H51 | C31 | C32 | H53 | 179.6° | 60.0° |
| H51 | C31 | C32 | H54 | 60.4° | 180.0° |
| H52 | C32 | H53 | H54 | 120.0° | 120.1° |
