LJQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2F | C2E | sing | 1.53Å | 1.54Å | |
| C2E | C2D | sing | 1.53Å | 1.54Å | |
| C2D | C2C | sing | 1.53Å | 1.54Å | |
| C3C | C3B | sing | 1.53Å | 1.52Å | |
| C3B | C3A | sing | 1.53Å | 1.52Å | |
| C2C | C2B | sing | 1.53Å | 1.54Å | |
| C3A | C39 | sing | 1.53Å | 1.53Å | |
| C2B | C2A | sing | 1.53Å | 1.53Å | |
| C39 | C38 | sing | 1.53Å | 1.54Å | |
| C2A | C29 | sing | 1.53Å | 1.53Å | |
| C38 | C37 | sing | 1.53Å | 1.54Å | |
| C29 | C28 | sing | 1.53Å | 1.54Å | |
| C37 | C36 | sing | 1.53Å | 1.53Å | |
| C28 | C27 | sing | 1.53Å | 1.54Å | |
| C36 | C35 | sing | 1.53Å | 1.54Å | |
| C27 | C26 | sing | 1.53Å | 1.54Å | |
| C35 | C34 | sing | 1.53Å | 1.54Å | |
| C26 | C25 | sing | 1.53Å | 1.53Å | |
| C34 | C33 | sing | 1.53Å | 1.53Å | |
| C25 | C24 | sing | 1.53Å | 1.53Å | |
| C33 | C32 | sing | 1.53Å | 1.53Å | |
| C24 | C23 | sing | 1.53Å | 1.54Å | |
| C32 | C31 | sing | 1.51Å | 1.55Å | |
| C23 | C22 | sing | 1.53Å | 1.52Å | |
| C31 | O32 | doub | 1.21Å | 1.18Å | |
| C31 | O31 | sing | 1.34Å | 1.40Å | |
| C22 | C21 | sing | 1.51Å | 1.52Å | |
| O31 | C3 | sing | 1.45Å | 1.39Å | |
| C21 | O22 | doub | 1.21Å | 1.17Å | |
| C21 | O21 | sing | 1.34Å | 1.43Å | |
| C3 | C2 | sing | 1.53Å | 1.54Å | |
| O21 | C2 | sing | 1.45Å | 1.43Å | |
| C2 | C1 | sing | 1.53Å | 1.56Å | |
| C1 | O1 | sing | 1.43Å | 1.76Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C32 | H6 | sing | 1.09Å | 1.10Å | |
| C32 | H7 | sing | 1.09Å | 1.10Å | |
| C33 | H8 | sing | 1.09Å | 1.10Å | |
| C33 | H9 | sing | 1.09Å | 1.10Å | |
| C34 | H10 | sing | 1.09Å | 1.10Å | |
| C34 | H11 | sing | 1.09Å | 1.10Å | |
| C35 | H12 | sing | 1.09Å | 1.10Å | |
| C35 | H13 | sing | 1.09Å | 1.10Å | |
| C36 | H14 | sing | 1.09Å | 1.10Å | |
| C36 | H15 | sing | 1.09Å | 1.10Å | |
| C37 | H16 | sing | 1.09Å | 1.10Å | |
| C37 | H17 | sing | 1.09Å | 1.10Å | |
| C38 | H18 | sing | 1.09Å | 1.10Å | |
| C38 | H19 | sing | 1.09Å | 1.10Å | |
| C39 | H20 | sing | 1.09Å | 1.10Å | |
| C39 | H21 | sing | 1.09Å | 1.10Å | |
| C3A | H22 | sing | 1.09Å | 1.10Å | |
| C3A | H23 | sing | 1.09Å | 1.10Å | |
| C3B | H24 | sing | 1.09Å | 1.10Å | |
| C3B | H25 | sing | 1.09Å | 1.10Å | |
| C3C | H26 | sing | 1.09Å | 1.10Å | |
| C3C | H27 | sing | 1.09Å | 1.10Å | |
| C3C | H28 | sing | 1.09Å | 1.10Å | |
| C22 | H29 | sing | 1.09Å | 1.10Å | |
| C22 | H30 | sing | 1.09Å | 1.10Å | |
| C23 | H31 | sing | 1.09Å | 1.10Å | |
| C23 | H32 | sing | 1.09Å | 1.10Å | |
| C24 | H33 | sing | 1.09Å | 1.10Å | |
| C24 | H34 | sing | 1.09Å | 1.10Å | |
| C25 | H35 | sing | 1.09Å | 1.10Å | |
| C25 | H36 | sing | 1.09Å | 1.10Å | |
| C26 | H37 | sing | 1.09Å | 1.10Å | |
| C26 | H38 | sing | 1.09Å | 1.10Å | |
| C27 | H39 | sing | 1.09Å | 1.10Å | |
| C27 | H40 | sing | 1.09Å | 1.10Å | |
| C28 | H41 | sing | 1.09Å | 1.10Å | |
| C28 | H42 | sing | 1.09Å | 1.10Å | |
| C29 | H43 | sing | 1.09Å | 1.10Å | |
| C29 | H44 | sing | 1.09Å | 1.10Å | |
| C2A | H45 | sing | 1.09Å | 1.10Å | |
| C2A | H46 | sing | 1.09Å | 1.10Å | |
| C2B | H47 | sing | 1.09Å | 1.10Å | |
| C2B | H48 | sing | 1.09Å | 1.10Å | |
| C2C | H49 | sing | 1.09Å | 1.10Å | |
| C2C | H50 | sing | 1.09Å | 1.10Å | |
| C2D | H51 | sing | 1.09Å | 1.10Å | |
| C2D | H52 | sing | 1.09Å | 1.10Å | |
| C2E | H53 | sing | 1.09Å | 1.10Å | |
| C2E | H54 | sing | 1.09Å | 1.10Å | |
| C2F | H55 | sing | 1.09Å | 1.10Å | |
| C2F | H56 | sing | 1.09Å | 1.10Å | |
| C2F | H57 | sing | 1.09Å | 1.10Å | |
| O1 | H58 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2F | C2E | C2D | 113.6° | 109.5° |
| C2F | C2E | H53 | 108.4° | 109.5° |
| C2F | C2E | H54 | 108.4° | 109.4° |
| C2E | C2F | H55 | 109.5° | 109.5° |
| C2E | C2F | H56 | 109.5° | 109.5° |
| C2E | C2F | H57 | 109.5° | 109.5° |
| C2E | C2D | C2C | 109.4° | 109.5° |
| C2E | C2D | H51 | 109.5° | 109.5° |
| C2E | C2D | H52 | 109.5° | 109.5° |
| C2D | C2E | H53 | 108.4° | 109.5° |
| C2D | C2E | H54 | 108.4° | 109.5° |
| C2D | C2C | C2B | 113.4° | 109.5° |
| C2D | C2C | H49 | 108.5° | 109.5° |
| C2D | C2C | H50 | 108.5° | 109.5° |
| C2C | C2D | H51 | 109.5° | 109.5° |
| C2C | C2D | H52 | 109.5° | 109.4° |
| C3C | C3B | C3A | 109.1° | 109.4° |
| C3C | C3B | H24 | 109.5° | 109.5° |
| C3C | C3B | H25 | 109.6° | 109.4° |
| C3B | C3C | H26 | 109.5° | 109.5° |
| C3B | C3C | H27 | 109.5° | 109.5° |
| C3B | C3C | H28 | 109.5° | 109.5° |
| C3B | C3A | C39 | 108.0° | 109.4° |
| C3B | C3A | H22 | 109.8° | 109.5° |
| C3B | C3A | H23 | 109.9° | 109.5° |
| C3A | C3B | H24 | 109.6° | 109.5° |
| C3A | C3B | H25 | 109.5° | 109.4° |
| C2C | C2B | C2A | 108.4° | 109.5° |
| C2C | C2B | H47 | 109.8° | 109.5° |
| C2C | C2B | H48 | 109.7° | 109.5° |
| C2B | C2C | H49 | 108.5° | 109.5° |
| C2B | C2C | H50 | 108.5° | 109.4° |
| C3A | C39 | C38 | 111.9° | 109.4° |
| C3A | C39 | H20 | 108.8° | 109.5° |
| C3A | C39 | H21 | 108.9° | 109.5° |
| C39 | C3A | H22 | 109.8° | 109.5° |
| C39 | C3A | H23 | 109.8° | 109.5° |
| C2B | C2A | C29 | 114.5° | 109.5° |
| C2B | C2A | H45 | 108.2° | 109.5° |
| C2B | C2A | H46 | 108.2° | 109.5° |
| C2A | C2B | H47 | 109.7° | 109.5° |
| C2A | C2B | H48 | 109.7° | 109.4° |
| C39 | C38 | C37 | 114.2° | 109.4° |
| C39 | C38 | H18 | 108.3° | 109.5° |
| C39 | C38 | H19 | 108.3° | 109.5° |
| C38 | C39 | H20 | 108.9° | 109.4° |
| C38 | C39 | H21 | 108.9° | 109.5° |
| C2A | C29 | C28 | 110.3° | 109.5° |
| C2A | C29 | H43 | 109.3° | 109.5° |
| C2A | C29 | H44 | 109.3° | 109.5° |
| C29 | C2A | H45 | 108.2° | 109.5° |
| C29 | C2A | H46 | 108.2° | 109.5° |
| C38 | C37 | C36 | 107.1° | 109.4° |
| C38 | C37 | H16 | 110.0° | 109.5° |
| C38 | C37 | H17 | 110.1° | 109.5° |
| C37 | C38 | H18 | 108.3° | 109.5° |
| C37 | C38 | H19 | 108.3° | 109.4° |
| C29 | C28 | C27 | 111.1° | 109.5° |
| C29 | C28 | H41 | 109.1° | 109.5° |
| C29 | C28 | H42 | 109.0° | 109.5° |
| C28 | C29 | H43 | 109.3° | 109.5° |
| C28 | C29 | H44 | 109.2° | 109.5° |
| C37 | C36 | C35 | 115.8° | 109.4° |
| C37 | C36 | H14 | 107.9° | 109.5° |
| C37 | C36 | H15 | 107.9° | 109.4° |
| C36 | C37 | H16 | 110.1° | 109.5° |
| C36 | C37 | H17 | 110.1° | 109.5° |
| C28 | C27 | C26 | 112.6° | 109.5° |
| C28 | C27 | H39 | 108.7° | 109.5° |
| C28 | C27 | H40 | 108.7° | 109.5° |
| C27 | C28 | H41 | 109.0° | 109.5° |
| C27 | C28 | H42 | 109.1° | 109.5° |
| C36 | C35 | C34 | 110.5° | 109.5° |
| C36 | C35 | H12 | 109.2° | 109.5° |
| C36 | C35 | H13 | 109.2° | 109.5° |
| C35 | C36 | H14 | 107.9° | 109.5° |
| C35 | C36 | H15 | 107.9° | 109.4° |
| C27 | C26 | C25 | 108.1° | 109.5° |
| C27 | C26 | H37 | 109.8° | 109.4° |
| C27 | C26 | H38 | 109.8° | 109.4° |
| C26 | C27 | H39 | 108.7° | 109.5° |
| C26 | C27 | H40 | 108.7° | 109.5° |
| C35 | C34 | C33 | 111.8° | 109.5° |
| C35 | C34 | H10 | 108.9° | 109.5° |
| C35 | C34 | H11 | 108.9° | 109.5° |
| C34 | C35 | H12 | 109.2° | 109.5° |
| C34 | C35 | H13 | 109.2° | 109.4° |
| C26 | C25 | C24 | 111.8° | 109.5° |
| C26 | C25 | H35 | 108.9° | 109.5° |
| C26 | C25 | H36 | 108.9° | 109.5° |
| C25 | C26 | H37 | 109.8° | 109.5° |
| C25 | C26 | H38 | 109.8° | 109.5° |
| C34 | C33 | C32 | 109.1° | 109.5° |
| C34 | C33 | H8 | 109.6° | 109.4° |
| C34 | C33 | H9 | 109.6° | 109.5° |
| C33 | C34 | H10 | 108.9° | 109.5° |
| C33 | C34 | H11 | 108.9° | 109.5° |
| C25 | C24 | C23 | 110.8° | 109.5° |
| C25 | C24 | H33 | 109.2° | 109.5° |
| C25 | C24 | H34 | 109.1° | 109.5° |
| C24 | C25 | H35 | 108.9° | 109.4° |
| C24 | C25 | H36 | 108.9° | 109.4° |
| C33 | C32 | C31 | 116.6° | 109.5° |
| C33 | C32 | H6 | 107.6° | 109.5° |
| C33 | C32 | H7 | 107.7° | 109.5° |
| C32 | C33 | H8 | 109.5° | 109.5° |
| C32 | C33 | H9 | 109.6° | 109.5° |
| C24 | C23 | C22 | 108.7° | 109.5° |
| C24 | C23 | H31 | 109.7° | 109.5° |
| C24 | C23 | H32 | 109.7° | 109.5° |
| C23 | C24 | H33 | 109.1° | 109.5° |
| C23 | C24 | H34 | 109.1° | 109.5° |
| C32 | C31 | O32 | 120.2° | 120.0° |
| C32 | C31 | O31 | 120.8° | 120.0° |
| C31 | C32 | H6 | 107.7° | 109.5° |
| C31 | C32 | H7 | 107.6° | 109.5° |
| C23 | C22 | C21 | 110.5° | 109.5° |
| C23 | C22 | H29 | 109.2° | 109.5° |
| C23 | C22 | H30 | 109.2° | 109.5° |
| C22 | C23 | H31 | 109.7° | 109.5° |
| C22 | C23 | H32 | 109.7° | 109.4° |
| O32 | C31 | O31 | 118.9° | 120.0° |
| C31 | O31 | C3 | 118.0° | 117.0° |
| C22 | C21 | O22 | 114.4° | 120.0° |
| C22 | C21 | O21 | 125.6° | 120.0° |
| C21 | C22 | H29 | 109.2° | 109.5° |
| C21 | C22 | H30 | 109.2° | 109.5° |
| O31 | C3 | C2 | 109.1° | 109.5° |
| O31 | C3 | H4 | 109.6° | 109.5° |
| O31 | C3 | H5 | 109.5° | 109.4° |
| O22 | C21 | O21 | 119.9° | 120.0° |
| C21 | O21 | C2 | 126.4° | 117.0° |
| C3 | C2 | O21 | 113.1° | 109.5° |
| C3 | C2 | C1 | 110.6° | 109.5° |
| C3 | C2 | H3 | 107.9° | 109.4° |
| C2 | C3 | H4 | 109.5° | 109.5° |
| C2 | C3 | H5 | 109.6° | 109.5° |
| O21 | C2 | C1 | 108.2° | 109.5° |
| O21 | C2 | H3 | 109.3° | 109.5° |
| C2 | C1 | O1 | 81.4° | 109.5° |
| C2 | C1 | H1 | 116.0° | 109.5° |
| C2 | C1 | H2 | 116.0° | 109.5° |
| C1 | C2 | H3 | 107.7° | 109.5° |
| O1 | C1 | H1 | 116.0° | 109.5° |
| O1 | C1 | H2 | 115.9° | 109.5° |
| C1 | O1 | H58 | 109.5° | 114.0° |
| H1 | C1 | H2 | 109.5° | 109.4° |
| H4 | C3 | H5 | 109.5° | 109.5° |
| H6 | C32 | H7 | 109.5° | 109.5° |
| H8 | C33 | H9 | 109.5° | 109.5° |
| H10 | C34 | H11 | 109.5° | 109.5° |
| H12 | C35 | H13 | 109.5° | 109.5° |
| H14 | C36 | H15 | 109.5° | 109.5° |
| H16 | C37 | H17 | 109.5° | 109.5° |
| H18 | C38 | H19 | 109.5° | 109.5° |
| H20 | C39 | H21 | 109.5° | 109.5° |
| H22 | C3A | H23 | 109.5° | 109.5° |
| H24 | C3B | H25 | 109.5° | 109.5° |
| H26 | C3C | H27 | 109.5° | 109.5° |
| H26 | C3C | H28 | 109.4° | 109.5° |
| H27 | C3C | H28 | 109.5° | 109.4° |
| H29 | C22 | H30 | 109.5° | 109.4° |
| H31 | C23 | H32 | 109.5° | 109.4° |
| H33 | C24 | H34 | 109.5° | 109.4° |
| H35 | C25 | H36 | 109.4° | 109.4° |
| H37 | C26 | H38 | 109.5° | 109.5° |
| H39 | C27 | H40 | 109.5° | 109.4° |
| H41 | C28 | H42 | 109.5° | 109.4° |
| H43 | C29 | H44 | 109.5° | 109.4° |
| H45 | C2A | H46 | 109.5° | 109.4° |
| H47 | C2B | H48 | 109.5° | 109.4° |
| H49 | C2C | H50 | 109.5° | 109.5° |
| H51 | C2D | H52 | 109.5° | 109.4° |
| H53 | C2E | H54 | 109.5° | 109.5° |
| H55 | C2F | H56 | 109.5° | 109.4° |
| H55 | C2F | H57 | 109.5° | 109.5° |
| H56 | C2F | H57 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2F | C2E | C2D | H53 | 120.6° | 120.0° |
| C2F | C2E | C2D | H54 | 120.6° | 119.9° |
| C2F | C2E | C2D | C2C | 120.9° | 180.0° |
| C2F | C2E | C2D | H51 | 119.1° | 60.0° |
| C2F | C2E | C2D | H52 | 0.9° | 60.0° |
| C2F | C2E | H53 | H54 | 118.1° | 120.0° |
| C2E | C2F | H55 | H56 | 120.0° | 120.0° |
| C2E | C2F | H55 | H57 | 120.0° | 120.1° |
| C2E | C2F | H56 | H57 | 120.0° | 120.0° |
| C2E | C2D | C2C | H51 | 120.0° | 120.1° |
| C2E | C2D | C2C | H52 | 120.0° | 120.0° |
| C2E | C2D | C2C | C2B | 176.2° | 180.0° |
| C2E | C2D | C2C | H49 | 63.2° | 60.0° |
| C2E | C2D | C2C | H50 | 55.7° | 60.0° |
| C2E | C2D | H51 | H52 | 120.0° | 120.0° |
| C2D | C2E | H53 | H54 | 118.1° | 120.0° |
| C2D | C2E | C2F | H55 | 180.0° | 59.9° |
| C2D | C2E | C2F | H56 | 60.0° | 60.0° |
| C2D | C2E | C2F | H57 | 60.0° | 180.0° |
| C2D | C2C | C2B | H49 | 120.6° | 120.0° |
| C2D | C2C | C2B | H50 | 120.6° | 120.0° |
| C2D | C2C | C2B | C2A | 126.2° | 180.0° |
| C2D | C2C | C2B | H47 | 6.4° | 59.9° |
| C2D | C2C | C2B | H48 | 114.0° | 60.0° |
| C2D | C2C | H49 | H50 | 118.2° | 120.0° |
| C2C | C2D | H51 | H52 | 120.0° | 119.9° |
| C2C | C2D | C2E | H53 | 0.2° | 60.0° |
| C2C | C2D | C2E | H54 | 118.6° | 60.1° |
| C3C | C3B | C3A | H24 | 119.9° | 120.1° |
| C3C | C3B | C3A | H25 | 119.9° | 119.9° |
| C3C | C3B | C3A | C39 | 96.4° | 180.0° |
| C3C | C3B | C3A | H22 | 23.4° | 60.0° |
| C3C | C3B | C3A | H23 | 143.8° | 60.0° |
| C3C | C3B | H24 | H25 | 120.2° | 120.0° |
| C3B | C3C | H26 | H27 | 120.0° | 120.0° |
| C3B | C3C | H26 | H28 | 120.0° | 120.0° |
| C3B | C3C | H27 | H28 | 120.0° | 120.0° |
| C3B | C3A | C39 | H22 | 119.8° | 120.0° |
| C3B | C3A | C39 | H23 | 119.8° | 120.0° |
| C3B | C3A | C39 | C38 | 148.8° | 180.0° |
| C3B | C3A | C39 | H20 | 28.4° | 60.1° |
| C3B | C3A | C39 | H21 | 90.8° | 60.0° |
| C3B | C3A | H22 | H23 | 120.7° | 120.0° |
| C3A | C3B | H24 | H25 | 120.1° | 120.0° |
| C3A | C3B | C3C | H26 | 180.0° | 60.0° |
| C3A | C3B | C3C | H27 | 60.0° | 60.0° |
| C3A | C3B | C3C | H28 | 60.0° | 180.0° |
| C2C | C2B | C2A | H47 | 119.8° | 120.1° |
| C2C | C2B | C2A | H48 | 119.8° | 120.0° |
| C2C | C2B | C2A | C29 | 123.6° | 180.0° |
| C2C | C2B | C2A | H45 | 2.9° | 60.0° |
| C2C | C2B | C2A | H46 | 115.6° | 60.0° |
| C2C | C2B | H47 | H48 | 120.5° | 120.0° |
| C2B | C2C | H49 | H50 | 118.2° | 119.9° |
| C2B | C2C | C2D | H51 | 56.3° | 59.9° |
| C2B | C2C | C2D | H52 | 63.8° | 60.0° |
| C3A | C39 | C38 | H20 | 120.4° | 120.0° |
| C3A | C39 | C38 | H21 | 120.4° | 120.0° |
| C3A | C39 | C38 | C37 | 106.6° | 180.0° |
| C3A | C39 | C38 | H18 | 14.1° | 60.0° |
| C3A | C39 | C38 | H19 | 132.7° | 60.0° |
| C3A | C39 | H20 | H21 | 118.9° | 120.1° |
| C39 | C3A | H22 | H23 | 120.6° | 120.0° |
| C39 | C3A | C3B | H24 | 143.7° | 60.0° |
| C39 | C3A | C3B | H25 | 23.6° | 60.0° |
| C2B | C2A | C29 | H45 | 120.7° | 120.0° |
| C2B | C2A | C29 | H46 | 120.8° | 120.0° |
| C2B | C2A | C29 | C28 | 144.7° | 180.0° |
| C2B | C2A | C29 | H43 | 24.6° | 59.9° |
| C2B | C2A | C29 | H44 | 95.2° | 60.0° |
| C2B | C2A | H45 | H46 | 117.7° | 120.0° |
| C2A | C2B | H47 | H48 | 120.5° | 119.9° |
| C2A | C2B | C2C | H49 | 113.2° | 60.0° |
| C2A | C2B | C2C | H50 | 5.6° | 60.0° |
| C39 | C38 | C37 | H18 | 120.7° | 120.0° |
| C39 | C38 | C37 | H19 | 120.7° | 120.0° |
| C39 | C38 | C37 | C36 | 137.9° | NaN° |
| C39 | C38 | C37 | H16 | 18.2° | 60.0° |
| C39 | C38 | C37 | H17 | 102.5° | 60.0° |
| C39 | C38 | H18 | H19 | 117.8° | 120.1° |
| C38 | C39 | H20 | H21 | 118.9° | 120.0° |
| C38 | C39 | C3A | H22 | 91.4° | 60.0° |
| C38 | C39 | C3A | H23 | 29.0° | 60.0° |
| C2A | C29 | C28 | H43 | 120.1° | 120.1° |
| C2A | C29 | C28 | H44 | 120.1° | 120.0° |
| C2A | C29 | C28 | C27 | 170.0° | 180.0° |
| C2A | C29 | C28 | H41 | 49.8° | 60.0° |
| C2A | C29 | C28 | H42 | 69.7° | 60.0° |
| C2A | C29 | H43 | H44 | 119.6° | 120.0° |
| C29 | C2A | H45 | H46 | 117.7° | 120.0° |
| C29 | C2A | C2B | H47 | 116.5° | 59.9° |
| C29 | C2A | C2B | H48 | 3.8° | 60.0° |
| C38 | C37 | C36 | H16 | 119.6° | 120.0° |
| C38 | C37 | C36 | H17 | 119.6° | 120.0° |
| C38 | C37 | C36 | C35 | 169.8° | 180.0° |
| C38 | C37 | C36 | H14 | 48.9° | 60.0° |
| C38 | C37 | C36 | H15 | 69.3° | 60.0° |
| C38 | C37 | H16 | H17 | 121.1° | 120.0° |
| C37 | C38 | H18 | H19 | 117.8° | 120.0° |
| C37 | C38 | C39 | H20 | 133.1° | 60.0° |
| C37 | C38 | C39 | H21 | 13.8° | 60.0° |
| C29 | C28 | C27 | H41 | 120.3° | 120.0° |
| C29 | C28 | C27 | H42 | 120.3° | 120.0° |
| C29 | C28 | C27 | C26 | 177.2° | 180.0° |
| C29 | C28 | C27 | H39 | 56.7° | 59.9° |
| C29 | C28 | C27 | H40 | 62.3° | 60.0° |
| C29 | C28 | H41 | H42 | 119.2° | 120.0° |
| C28 | C29 | H43 | H44 | 119.6° | 120.0° |
| C28 | C29 | C2A | H45 | 94.6° | 60.0° |
| C28 | C29 | C2A | H46 | 23.9° | 60.0° |
| C37 | C36 | C35 | H14 | 120.9° | 120.0° |
| C37 | C36 | C35 | H15 | 120.9° | 119.9° |
| C37 | C36 | C35 | C34 | 148.7° | 180.0° |
| C37 | C36 | C35 | H12 | 91.1° | 60.0° |
| C37 | C36 | C35 | H13 | 28.5° | 60.1° |
| C37 | C36 | H14 | H15 | 117.1° | 120.0° |
| C36 | C37 | H16 | H17 | 121.1° | 120.0° |
| C36 | C37 | C38 | H18 | 101.4° | 60.0° |
| C36 | C37 | C38 | H19 | 17.2° | 60.0° |
| C28 | C27 | C26 | H39 | 120.5° | 120.1° |
| C28 | C27 | C26 | H40 | 120.5° | 120.0° |
| C28 | C27 | C26 | C25 | 159.5° | 180.0° |
| C28 | C27 | C26 | H37 | 80.7° | 60.0° |
| C28 | C27 | C26 | H38 | 39.7° | 60.0° |
| C28 | C27 | H39 | H40 | 118.5° | 120.0° |
| C27 | C28 | H41 | H42 | 119.2° | 120.0° |
| C27 | C28 | C29 | H43 | 69.8° | 59.9° |
| C27 | C28 | C29 | H44 | 49.9° | 60.0° |
| C36 | C35 | C34 | H12 | 120.2° | 120.0° |
| C36 | C35 | C34 | H13 | 120.2° | 120.0° |
| C36 | C35 | C34 | C33 | 143.3° | 180.0° |
| C36 | C35 | C34 | H10 | 96.3° | 60.0° |
| C36 | C35 | C34 | H11 | 22.9° | 60.0° |
| C36 | C35 | H12 | H13 | 119.5° | 120.0° |
| C35 | C36 | H14 | H15 | 117.1° | 120.0° |
| C35 | C36 | C37 | H16 | 70.6° | 60.0° |
| C35 | C36 | C37 | H17 | 50.2° | 60.0° |
| C27 | C26 | C25 | H37 | 119.8° | 120.0° |
| C27 | C26 | C25 | H38 | 119.8° | 120.0° |
| C27 | C26 | C25 | C24 | 166.9° | 180.0° |
| C27 | C26 | C25 | H35 | 72.7° | 60.0° |
| C27 | C26 | C25 | H36 | 46.5° | 60.0° |
| C27 | C26 | H37 | H38 | 120.6° | 119.9° |
| C26 | C27 | H39 | H40 | 118.6° | 120.0° |
| C26 | C27 | C28 | H41 | 62.5° | 60.0° |
| C26 | C27 | C28 | H42 | 56.9° | 60.0° |
| C35 | C34 | C33 | H10 | 120.3° | 120.0° |
| C35 | C34 | C33 | H11 | 120.4° | 120.0° |
| C35 | C34 | C33 | C32 | 171.3° | 180.0° |
| C35 | C34 | C33 | H8 | 68.8° | 60.0° |
| C35 | C34 | C33 | H9 | 51.4° | 60.0° |
| C35 | C34 | H10 | H11 | 118.9° | 120.0° |
| C34 | C35 | H12 | H13 | 119.5° | 120.0° |
| C34 | C35 | C36 | H14 | 27.8° | 60.0° |
| C34 | C35 | C36 | H15 | 90.4° | 60.1° |
| C26 | C25 | C24 | H35 | 120.4° | 120.1° |
| C26 | C25 | C24 | H36 | 120.4° | 120.0° |
| C26 | C25 | C24 | C23 | 176.0° | 180.0° |
| C26 | C25 | C24 | H33 | 55.8° | 60.0° |
| C26 | C25 | C24 | H34 | 63.8° | 60.0° |
| C26 | C25 | H35 | H36 | 118.9° | 120.1° |
| C25 | C26 | H37 | H38 | 120.6° | 120.1° |
| C25 | C26 | C27 | H39 | 39.1° | 59.9° |
| C25 | C26 | C27 | H40 | 80.0° | 60.0° |
| C34 | C33 | C32 | H8 | 119.9° | 120.0° |
| C34 | C33 | C32 | H9 | 120.0° | 120.0° |
| C34 | C33 | C32 | C31 | 154.3° | 180.0° |
| C34 | C33 | C32 | H6 | 84.6° | 60.0° |
| C34 | C33 | C32 | H7 | 33.3° | 60.0° |
| C34 | C33 | H8 | H9 | 120.2° | 120.0° |
| C33 | C34 | H10 | H11 | 118.9° | 120.0° |
| C33 | C34 | C35 | H12 | 23.1° | 60.0° |
| C33 | C34 | C35 | H13 | 96.5° | 60.0° |
| C25 | C24 | C23 | H33 | 120.2° | 120.0° |
| C25 | C24 | C23 | H34 | 120.2° | 120.0° |
| C25 | C24 | C23 | C22 | 168.4° | 180.0° |
| C25 | C24 | C23 | H31 | 48.5° | 59.9° |
| C25 | C24 | C23 | H32 | 71.7° | 60.0° |
| C25 | C24 | H33 | H34 | 119.4° | 120.0° |
| C24 | C25 | H35 | H36 | 118.9° | 119.9° |
| C24 | C25 | C26 | H37 | 47.1° | 60.0° |
| C24 | C25 | C26 | H38 | 73.3° | 60.0° |
| C33 | C32 | C31 | H6 | 121.0° | 120.0° |
| C33 | C32 | C31 | H7 | 121.0° | 120.0° |
| C33 | C32 | C31 | O32 | 95.7° | 0.0° |
| C33 | C32 | C31 | O31 | 87.1° | 180.0° |
| C33 | C32 | H6 | H7 | 116.7° | 120.0° |
| C32 | C33 | H8 | H9 | 120.2° | 120.0° |
| C32 | C33 | C34 | H10 | 51.0° | 60.0° |
| C32 | C33 | C34 | H11 | 68.3° | 60.0° |
| C24 | C23 | C22 | H31 | 119.9° | 120.1° |
| C24 | C23 | C22 | H32 | 119.9° | 120.0° |
| C24 | C23 | C22 | C21 | 160.6° | 180.0° |
| C24 | C23 | C22 | H29 | 40.5° | 60.0° |
| C24 | C23 | C22 | H30 | 79.2° | 60.0° |
| C24 | C23 | H31 | H32 | 120.4° | 120.0° |
| C23 | C24 | H33 | H34 | 119.4° | 120.0° |
| C23 | C24 | C25 | H35 | 63.7° | 59.9° |
| C23 | C24 | C25 | H36 | 55.6° | 60.0° |
| C32 | C31 | O32 | O31 | 177.2° | 180.0° |
| C32 | C31 | O31 | C3 | 175.8° | 180.0° |
| C31 | C32 | H6 | H7 | 116.7° | 120.0° |
| C31 | C32 | C33 | H8 | 34.4° | 60.0° |
| C31 | C32 | C33 | H9 | 85.7° | 60.0° |
| C23 | C22 | C21 | H29 | 120.1° | 120.0° |
| C23 | C22 | C21 | H30 | 120.2° | 120.0° |
| C23 | C22 | C21 | O22 | 13.3° | 0.1° |
| C23 | C22 | C21 | O21 | 170.5° | 180.0° |
| C23 | C22 | H29 | H30 | 119.6° | 120.0° |
| C22 | C23 | H31 | H32 | 120.4° | 119.9° |
| C22 | C23 | C24 | H33 | 71.4° | 60.0° |
| C22 | C23 | C24 | H34 | 48.2° | 60.0° |
| O32 | C31 | O31 | C3 | 6.9° | 0.0° |
| O32 | C31 | C32 | H6 | 25.4° | 120.0° |
| O32 | C31 | C32 | H7 | 143.3° | 120.0° |
| C31 | O31 | C3 | C2 | 128.1° | 180.0° |
| C31 | O31 | C3 | H4 | 112.0° | 60.0° |
| C31 | O31 | C3 | H5 | 8.2° | 60.0° |
| O31 | C31 | C32 | H6 | 151.8° | 60.0° |
| O31 | C31 | C32 | H7 | 33.9° | 60.0° |
| C22 | C21 | O22 | O21 | 176.4° | 179.9° |
| C22 | C21 | O21 | C2 | 70.3° | 180.0° |
| C21 | C22 | H29 | H30 | 119.5° | 120.0° |
| C21 | C22 | C23 | H31 | 79.5° | 60.0° |
| C21 | C22 | C23 | H32 | 40.8° | 59.9° |
| O31 | C3 | C2 | H4 | 119.9° | 120.0° |
| O31 | C3 | C2 | H5 | 119.9° | 119.9° |
| O31 | C3 | C2 | O21 | 70.9° | 65.0° |
| O31 | C3 | C2 | C1 | 167.6° | 55.0° |
| O31 | C3 | C2 | H3 | 50.1° | 175.0° |
| O31 | C3 | H4 | H5 | 120.2° | 120.0° |
| O22 | C21 | O21 | C2 | 113.7° | 0.1° |
| O22 | C21 | C22 | H29 | 106.8° | 120.0° |
| O22 | C21 | C22 | H30 | 133.5° | 120.0° |
| C21 | O21 | C2 | C3 | 63.0° | 150.0° |
| C21 | O21 | C2 | C1 | 174.2° | 90.0° |
| C21 | O21 | C2 | H3 | 57.2° | 30.0° |
| O21 | C21 | C22 | H29 | 69.4° | 60.0° |
| O21 | C21 | C22 | H30 | 50.3° | 59.9° |
| C3 | C2 | O21 | C1 | 122.8° | 120.0° |
| C3 | C2 | O21 | H3 | 120.2° | 120.0° |
| C3 | C2 | C1 | H3 | 117.6° | 120.0° |
| C3 | C2 | C1 | O1 | 59.2° | 55.0° |
| C3 | C2 | C1 | H1 | 174.0° | 65.0° |
| C3 | C2 | C1 | H2 | 55.5° | 175.0° |
| C2 | C3 | H4 | H5 | 120.2° | 120.0° |
| O21 | C2 | C1 | H3 | 118.0° | 120.1° |
| O21 | C2 | C1 | O1 | 176.5° | 65.0° |
| O21 | C2 | C1 | H1 | 61.7° | 175.0° |
| O21 | C2 | C1 | H2 | 68.8° | 55.0° |
| O21 | C2 | C3 | H4 | 49.0° | 55.0° |
| O21 | C2 | C3 | H5 | 169.2° | 175.0° |
| C2 | C1 | O1 | H1 | 114.8° | 120.0° |
| C2 | C1 | O1 | H2 | 114.8° | 120.0° |
| C2 | C1 | H1 | H2 | 133.5° | 120.0° |
| C1 | C2 | C3 | H4 | 72.5° | 175.0° |
| C1 | C2 | C3 | H5 | 47.7° | 65.0° |
| C2 | C1 | O1 | H58 | 180.0° | 180.0° |
| O1 | C1 | H1 | H2 | 133.5° | 120.0° |
| O1 | C1 | C2 | H3 | 58.5° | 175.0° |
| H1 | C1 | C2 | H3 | 56.3° | 54.9° |
| H1 | C1 | O1 | H58 | 65.2° | 59.9° |
| H2 | C1 | C2 | H3 | 173.2° | 65.0° |
| H2 | C1 | O1 | H58 | 65.3° | 60.0° |
| H3 | C2 | C3 | H4 | 170.0° | 65.0° |
| H3 | C2 | C3 | H5 | 69.9° | 55.0° |
| H6 | C32 | C33 | H8 | 155.4° | 180.0° |
| H6 | C32 | C33 | H9 | 35.3° | 60.0° |
| H7 | C32 | C33 | H8 | 86.7° | 60.0° |
| H7 | C32 | C33 | H9 | 153.2° | 180.0° |
| H8 | C33 | C34 | H10 | 170.9° | 180.0° |
| H8 | C33 | C34 | H11 | 51.6° | 60.0° |
| H9 | C33 | C34 | H10 | 69.0° | 60.0° |
| H9 | C33 | C34 | H11 | 171.7° | 180.0° |
| H10 | C34 | C35 | H12 | 143.5° | 180.0° |
| H10 | C34 | C35 | H13 | 23.8° | 60.0° |
| H11 | C34 | C35 | H12 | 97.2° | 60.0° |
| H11 | C34 | C35 | H13 | 143.1° | 180.0° |
| H12 | C35 | C36 | H14 | 147.9° | 180.0° |
| H12 | C35 | C36 | H15 | 29.8° | 59.9° |
| H13 | C35 | C36 | H14 | 92.4° | 60.0° |
| H13 | C35 | C36 | H15 | 149.5° | 180.0° |
| H14 | C36 | C37 | H16 | 168.5° | 180.0° |
| H14 | C36 | C37 | H17 | 70.8° | 60.0° |
| H15 | C36 | C37 | H16 | 50.3° | 59.9° |
| H15 | C36 | C37 | H17 | 171.1° | 180.0° |
| H16 | C37 | C38 | H18 | 138.9° | 180.0° |
| H16 | C37 | C38 | H19 | 102.5° | 60.0° |
| H17 | C37 | C38 | H18 | 18.2° | 60.0° |
| H17 | C37 | C38 | H19 | 136.8° | 180.0° |
| H18 | C38 | C39 | H20 | 106.2° | 180.0° |
| H18 | C38 | C39 | H21 | 134.5° | 60.0° |
| H19 | C38 | C39 | H20 | 12.4° | 60.0° |
| H19 | C38 | C39 | H21 | 106.9° | 180.0° |
| H20 | C39 | C3A | H22 | 148.2° | 180.0° |
| H20 | C39 | C3A | H23 | 91.4° | 59.9° |
| H21 | C39 | C3A | H22 | 29.0° | 60.0° |
| H21 | C39 | C3A | H23 | 149.4° | NaN° |
| H22 | C3A | C3B | H24 | 96.6° | 179.9° |
| H22 | C3A | C3B | H25 | 143.3° | 59.9° |
| H23 | C3A | C3B | H24 | 23.9° | 60.0° |
| H23 | C3A | C3B | H25 | 96.2° | 180.0° |
| H24 | C3B | C3C | H26 | 60.1° | 180.0° |
| H24 | C3B | C3C | H27 | 60.0° | 60.0° |
| H24 | C3B | C3C | H28 | 179.9° | 59.9° |
| H25 | C3B | C3C | H26 | 60.0° | 59.9° |
| H25 | C3B | C3C | H27 | 179.9° | 179.9° |
| H25 | C3B | C3C | H28 | 60.0° | 60.1° |
| H26 | C3C | H27 | H28 | 120.0° | 120.0° |
| H29 | C22 | C23 | H31 | 160.4° | 180.0° |
| H29 | C22 | C23 | H32 | 79.4° | 60.0° |
| H30 | C22 | C23 | H31 | 40.7° | 60.1° |
| H30 | C22 | C23 | H32 | 160.9° | 180.0° |
| H31 | C23 | C24 | H33 | 168.7° | 180.0° |
| H31 | C23 | C24 | H34 | 71.7° | 60.1° |
| H32 | C23 | C24 | H33 | 48.5° | 60.0° |
| H32 | C23 | C24 | H34 | 168.1° | 180.0° |
| H33 | C24 | C25 | H35 | 176.2° | 180.0° |
| H33 | C24 | C25 | H36 | 64.6° | 60.0° |
| H34 | C24 | C25 | H35 | 56.5° | 60.1° |
| H34 | C24 | C25 | H36 | 175.8° | 180.0° |
| H35 | C25 | C26 | H37 | 167.5° | 180.0° |
| H35 | C25 | C26 | H38 | 47.0° | 60.0° |
| H36 | C25 | C26 | H37 | 73.3° | 59.9° |
| H36 | C25 | C26 | H38 | 166.3° | 180.0° |
| H37 | C26 | C27 | H39 | 158.9° | 180.0° |
| H37 | C26 | C27 | H40 | 39.8° | 60.0° |
| H38 | C26 | C27 | H39 | 80.7° | 60.1° |
| H38 | C26 | C27 | H40 | 160.2° | 180.0° |
| H39 | C27 | C28 | H41 | 177.0° | 180.0° |
| H39 | C27 | C28 | H42 | 63.6° | 60.1° |
| H40 | C27 | C28 | H41 | 57.9° | 60.0° |
| H40 | C27 | C28 | H42 | 177.4° | 180.0° |
| H41 | C28 | C29 | H43 | 169.9° | 180.0° |
| H41 | C28 | C29 | H44 | 70.3° | 60.0° |
| H42 | C28 | C29 | H43 | 50.5° | 60.1° |
| H42 | C28 | C29 | H44 | 170.2° | 180.0° |
| H43 | C29 | C2A | H45 | 145.3° | 180.0° |
| H43 | C29 | C2A | H46 | 96.2° | 60.1° |
| H44 | C29 | C2A | H45 | 25.5° | 60.0° |
| H44 | C29 | C2A | H46 | 144.1° | 180.0° |
| H45 | C2A | C2B | H47 | 122.7° | 180.0° |
| H45 | C2A | C2B | H48 | 116.9° | 60.0° |
| H46 | C2A | C2B | H47 | 4.2° | 60.1° |
| H46 | C2A | C2B | H48 | 124.6° | 180.0° |
| H47 | C2B | C2C | H49 | 127.0° | 180.0° |
| H47 | C2B | C2C | H50 | 114.2° | 60.0° |
| H48 | C2B | C2C | H49 | 6.6° | 60.0° |
| H48 | C2B | C2C | H50 | 125.4° | 180.0° |
| H49 | C2C | C2D | H51 | 176.8° | 180.0° |
| H49 | C2C | C2D | H52 | 56.8° | 60.0° |
| H50 | C2C | C2D | H51 | 64.3° | 60.0° |
| H50 | C2C | C2D | H52 | 175.7° | 179.9° |
| H51 | C2D | C2E | H53 | 120.2° | 180.0° |
| H51 | C2D | C2E | H54 | 1.4° | 60.0° |
| H52 | C2D | C2E | H53 | 119.7° | 60.0° |
| H52 | C2D | C2E | H54 | 121.5° | 180.0° |
| H53 | C2E | C2F | H55 | 59.4° | 180.0° |
| H53 | C2E | C2F | H56 | 60.7° | 60.0° |
| H53 | C2E | C2F | H57 | 179.4° | 60.0° |
| H54 | C2E | C2F | H55 | 59.4° | 60.0° |
| H54 | C2E | C2F | H56 | 179.4° | 180.0° |
| H54 | C2E | C2F | H57 | 60.6° | 60.0° |
| H55 | C2F | H56 | H57 | 120.0° | 120.0° |
