F57
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C39 | C3A | sing | 1.53Å | 1.54Å | |
| C39 | C38 | sing | 1.53Å | 1.54Å | |
| C36 | C37 | sing | 1.53Å | 1.52Å | |
| C36 | C35 | sing | 1.53Å | 1.53Å | |
| C37 | C38 | sing | 1.53Å | 1.54Å | |
| C34 | C35 | sing | 1.53Å | 1.53Å | |
| C34 | C33 | sing | 1.53Å | 1.53Å | |
| C32 | C33 | sing | 1.53Å | 1.54Å | |
| C32 | C31 | sing | 1.51Å | 1.55Å | |
| O32 | C31 | doub | 1.21Å | 1.24Å | |
| C31 | O31 | sing | 1.34Å | 1.37Å | |
| O31 | C3 | sing | 1.45Å | 1.43Å | |
| C3 | C2 | sing | 1.53Å | 1.54Å | |
| C2 | O21 | sing | 1.45Å | 1.48Å | |
| C2 | C1 | sing | 1.53Å | 1.55Å | |
| O21 | C21 | sing | 1.34Å | 1.38Å | |
| C26 | C27 | sing | 1.53Å | 1.53Å | |
| C26 | C25 | sing | 1.53Å | 1.53Å | |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| C24 | C23 | sing | 1.53Å | 1.54Å | |
| C22 | C21 | sing | 1.51Å | 1.53Å | |
| C22 | C23 | sing | 1.53Å | 1.54Å | |
| C27 | C28 | sing | 1.53Å | 1.52Å | |
| C28 | C29 | sing | 1.53Å | 1.54Å | |
| C21 | O22 | doub | 1.21Å | 1.23Å | |
| C1 | O11 | sing | 1.43Å | 1.43Å | |
| C29 | C2A | sing | 1.53Å | 1.54Å | |
| O11 | P | sing | 1.61Å | 1.62Å | |
| C2A | C2B | sing | 1.53Å | 1.54Å | |
| C2B | C2C | sing | 1.53Å | 1.54Å | |
| P | O14 | doub | 1.48Å | 1.48Å | |
| P | O13 | sing | 1.61Å | 1.60Å | |
| P | O12 | sing | 1.61Å | 1.48Å | |
| C2C | C2D | sing | 1.53Å | 1.52Å | |
| C2D | C2E | sing | 1.53Å | 1.52Å | |
| C2E | C2F | sing | 1.53Å | 1.52Å | |
| C2F | C2G | sing | 1.53Å | 1.52Å | |
| C2G | C2H | sing | 1.53Å | 1.54Å | |
| C2H | C2I | sing | 1.53Å | 1.54Å | |
| C2I | H1 | sing | 1.09Å | 1.10Å | |
| C2I | H2 | sing | 1.09Å | 1.10Å | |
| C2I | H3 | sing | 1.09Å | 1.10Å | |
| C2H | H4 | sing | 1.09Å | 1.10Å | |
| C2H | H5 | sing | 1.09Å | 1.10Å | |
| C2G | H6 | sing | 1.09Å | 1.10Å | |
| C2G | H7 | sing | 1.09Å | 1.10Å | |
| C2F | H8 | sing | 1.09Å | 1.10Å | |
| C2F | H9 | sing | 1.09Å | 1.10Å | |
| C2E | H10 | sing | 1.09Å | 1.10Å | |
| C2E | H11 | sing | 1.09Å | 1.10Å | |
| C2D | H12 | sing | 1.09Å | 1.10Å | |
| C2D | H13 | sing | 1.09Å | 1.10Å | |
| C2C | H14 | sing | 1.09Å | 1.10Å | |
| C2C | H15 | sing | 1.09Å | 1.10Å | |
| C2B | H16 | sing | 1.09Å | 1.10Å | |
| C2B | H17 | sing | 1.09Å | 1.10Å | |
| C2A | H18 | sing | 1.09Å | 1.10Å | |
| C2A | H19 | sing | 1.09Å | 1.10Å | |
| C29 | H20 | sing | 1.09Å | 1.10Å | |
| C29 | H21 | sing | 1.09Å | 1.10Å | |
| C28 | H22 | sing | 1.09Å | 1.10Å | |
| C28 | H23 | sing | 1.09Å | 1.10Å | |
| C27 | H24 | sing | 1.09Å | 1.10Å | |
| C27 | H25 | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H27 | sing | 1.09Å | 1.10Å | |
| C25 | H28 | sing | 1.09Å | 1.10Å | |
| C25 | H29 | sing | 1.09Å | 1.10Å | |
| C24 | H30 | sing | 1.09Å | 1.10Å | |
| C24 | H31 | sing | 1.09Å | 1.10Å | |
| C23 | H32 | sing | 1.09Å | 1.10Å | |
| C23 | H33 | sing | 1.09Å | 1.10Å | |
| C22 | H34 | sing | 1.09Å | 1.10Å | |
| C22 | H35 | sing | 1.09Å | 1.10Å | |
| C2 | H36 | sing | 1.09Å | 1.10Å | |
| C1 | H37 | sing | 1.09Å | 1.10Å | |
| C1 | H38 | sing | 1.09Å | 1.10Å | |
| O13 | H39 | sing | 0.97Å | 0.95Å | |
| O12 | H40 | sing | 0.97Å | 0.95Å | |
| C3 | H41 | sing | 1.09Å | 1.10Å | |
| C3 | H42 | sing | 1.09Å | 1.10Å | |
| C32 | H43 | sing | 1.09Å | 1.10Å | |
| C32 | H44 | sing | 1.09Å | 1.10Å | |
| C33 | H45 | sing | 1.09Å | 1.10Å | |
| C33 | H46 | sing | 1.09Å | 1.10Å | |
| C34 | H47 | sing | 1.09Å | 1.10Å | |
| C34 | H48 | sing | 1.09Å | 1.10Å | |
| C35 | H49 | sing | 1.09Å | 1.10Å | |
| C35 | H50 | sing | 1.09Å | 1.10Å | |
| C36 | H51 | sing | 1.09Å | 1.10Å | |
| C36 | H52 | sing | 1.09Å | 1.10Å | |
| C37 | H53 | sing | 1.09Å | 1.10Å | |
| C37 | H54 | sing | 1.09Å | 1.10Å | |
| C38 | H55 | sing | 1.09Å | 1.10Å | |
| C38 | H56 | sing | 1.09Å | 1.10Å | |
| C39 | H57 | sing | 1.09Å | 1.10Å | |
| C39 | H58 | sing | 1.09Å | 1.10Å | |
| C3A | H59 | sing | 1.09Å | 1.10Å | |
| C3A | H60 | sing | 1.09Å | 1.10Å | |
| C3A | H61 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3A | C39 | C38 | 111.9° | 109.5° |
| C3A | C39 | H57 | 108.9° | 109.5° |
| C3A | C39 | H58 | 108.9° | 109.5° |
| C39 | C3A | H59 | 109.5° | 109.5° |
| C39 | C3A | H60 | 109.5° | 109.5° |
| C39 | C3A | H61 | 109.5° | 109.5° |
| C39 | C38 | C37 | 109.6° | 109.5° |
| C39 | C38 | H55 | 109.4° | 109.5° |
| C39 | C38 | H56 | 109.4° | 109.5° |
| C38 | C39 | H57 | 108.9° | 109.4° |
| C38 | C39 | H58 | 108.8° | 109.4° |
| C37 | C36 | C35 | 112.2° | 109.5° |
| C36 | C37 | C38 | 112.6° | 109.5° |
| C37 | C36 | H51 | 108.8° | 109.5° |
| C37 | C36 | H52 | 108.8° | 109.4° |
| C36 | C37 | H53 | 108.7° | 109.4° |
| C36 | C37 | H54 | 108.7° | 109.4° |
| C36 | C35 | C34 | 111.1° | 109.5° |
| C36 | C35 | H49 | 109.1° | 109.5° |
| C36 | C35 | H50 | 109.1° | 109.4° |
| C35 | C36 | H51 | 108.8° | 109.5° |
| C35 | C36 | H52 | 108.8° | 109.5° |
| C38 | C37 | H53 | 108.7° | 109.5° |
| C38 | C37 | H54 | 108.7° | 109.5° |
| C37 | C38 | H55 | 109.5° | 109.5° |
| C37 | C38 | H56 | 109.4° | 109.5° |
| C35 | C34 | C33 | 110.3° | 109.4° |
| C35 | C34 | H47 | 109.3° | 109.5° |
| C35 | C34 | H48 | 109.2° | 109.4° |
| C34 | C35 | H49 | 109.0° | 109.5° |
| C34 | C35 | H50 | 109.0° | 109.5° |
| C34 | C33 | C32 | 109.6° | 109.4° |
| C34 | C33 | H45 | 109.4° | 109.5° |
| C34 | C33 | H46 | 109.4° | 109.5° |
| C33 | C34 | H47 | 109.3° | 109.5° |
| C33 | C34 | H48 | 109.3° | 109.5° |
| C33 | C32 | C31 | 113.3° | 109.4° |
| C33 | C32 | H43 | 108.5° | 109.5° |
| C33 | C32 | H44 | 108.5° | 109.5° |
| C32 | C33 | H45 | 109.4° | 109.5° |
| C32 | C33 | H46 | 109.4° | 109.5° |
| C32 | C31 | O32 | 121.1° | 120.0° |
| C32 | C31 | O31 | 113.8° | 120.0° |
| C31 | C32 | H43 | 108.5° | 109.5° |
| C31 | C32 | H44 | 108.5° | 109.5° |
| O32 | C31 | O31 | 125.2° | 120.1° |
| C31 | O31 | C3 | 114.9° | 116.9° |
| O31 | C3 | C2 | 111.3° | 109.4° |
| O31 | C3 | H41 | 109.0° | 109.5° |
| O31 | C3 | H42 | 109.0° | 109.5° |
| C3 | C2 | O21 | 111.9° | 109.4° |
| C3 | C2 | C1 | 108.9° | 109.5° |
| C3 | C2 | H36 | 106.9° | 109.4° |
| C2 | C3 | H41 | 109.0° | 109.5° |
| C2 | C3 | H42 | 109.0° | 109.4° |
| O21 | C2 | C1 | 114.2° | 109.5° |
| C2 | O21 | C21 | 127.1° | 117.0° |
| O21 | C2 | H36 | 107.7° | 109.4° |
| C2 | C1 | O11 | 111.7° | 109.5° |
| C1 | C2 | H36 | 106.9° | 109.5° |
| C2 | C1 | H37 | 108.9° | 109.5° |
| C2 | C1 | H38 | 108.9° | 109.5° |
| O21 | C21 | C22 | 115.2° | 120.0° |
| O21 | C21 | O22 | 124.8° | 120.0° |
| C27 | C26 | C25 | 107.9° | 109.5° |
| C26 | C27 | C28 | 109.9° | 109.5° |
| C26 | C27 | H24 | 109.3° | 109.5° |
| C26 | C27 | H25 | 109.4° | 109.5° |
| C27 | C26 | H26 | 109.9° | 109.5° |
| C27 | C26 | H27 | 109.8° | 109.4° |
| C26 | C25 | C24 | 109.8° | 109.4° |
| C25 | C26 | H26 | 109.9° | 109.5° |
| C25 | C26 | H27 | 109.9° | 109.5° |
| C26 | C25 | H28 | 109.4° | 109.4° |
| C26 | C25 | H29 | 109.4° | 109.5° |
| C25 | C24 | C23 | 110.3° | 109.4° |
| C24 | C25 | H28 | 109.4° | 109.5° |
| C24 | C25 | H29 | 109.4° | 109.5° |
| C25 | C24 | H30 | 109.3° | 109.5° |
| C25 | C24 | H31 | 109.3° | 109.5° |
| C24 | C23 | C22 | 109.4° | 109.4° |
| C23 | C24 | H30 | 109.3° | 109.5° |
| C23 | C24 | H31 | 109.2° | 109.5° |
| C24 | C23 | H32 | 109.5° | 109.5° |
| C24 | C23 | H33 | 109.5° | 109.5° |
| C21 | C22 | C23 | 110.8° | 109.5° |
| C22 | C21 | O22 | 119.6° | 120.0° |
| C21 | C22 | H34 | 109.1° | 109.4° |
| C21 | C22 | H35 | 109.2° | 109.5° |
| C22 | C23 | H32 | 109.5° | 109.4° |
| C22 | C23 | H33 | 109.5° | 109.5° |
| C23 | C22 | H34 | 109.1° | 109.5° |
| C23 | C22 | H35 | 109.1° | 109.5° |
| C27 | C28 | C29 | 111.1° | 109.5° |
| C27 | C28 | H22 | 109.1° | 109.5° |
| C27 | C28 | H23 | 109.1° | 109.5° |
| C28 | C27 | H24 | 109.3° | 109.5° |
| C28 | C27 | H25 | 109.3° | 109.5° |
| C28 | C29 | C2A | 113.9° | 109.5° |
| C28 | C29 | H20 | 108.4° | 109.5° |
| C28 | C29 | H21 | 108.4° | 109.5° |
| C29 | C28 | H22 | 109.0° | 109.5° |
| C29 | C28 | H23 | 109.0° | 109.5° |
| C1 | O11 | P | 121.1° | 123.0° |
| O11 | C1 | H37 | 108.9° | 109.5° |
| O11 | C1 | H38 | 108.9° | 109.5° |
| C29 | C2A | C2B | 114.7° | 109.5° |
| C29 | C2A | H18 | 108.1° | 109.5° |
| C29 | C2A | H19 | 108.1° | 109.4° |
| C2A | C29 | H20 | 108.3° | 109.5° |
| C2A | C29 | H21 | 108.4° | 109.4° |
| O11 | P | O14 | 108.2° | 109.5° |
| O11 | P | O13 | 106.2° | 109.5° |
| O11 | P | O12 | 107.7° | 109.5° |
| C2A | C2B | C2C | 110.6° | 109.5° |
| C2A | C2B | H16 | 109.2° | 109.5° |
| C2A | C2B | H17 | 109.2° | 109.4° |
| C2B | C2A | H18 | 108.2° | 109.5° |
| C2B | C2A | H19 | 108.1° | 109.4° |
| C2B | C2C | C2D | 110.2° | 109.4° |
| C2B | C2C | H14 | 109.3° | 109.5° |
| C2B | C2C | H15 | 109.3° | 109.4° |
| C2C | C2B | H16 | 109.2° | 109.5° |
| C2C | C2B | H17 | 109.2° | 109.5° |
| O14 | P | O13 | 107.8° | 109.4° |
| O14 | P | O12 | 119.7° | 109.5° |
| O13 | P | O12 | 106.5° | 109.5° |
| P | O13 | H39 | 109.5° | 114.0° |
| P | O12 | H40 | 109.5° | 114.0° |
| C2C | C2D | C2E | 109.6° | 109.4° |
| C2C | C2D | H12 | 109.4° | 109.5° |
| C2C | C2D | H13 | 109.5° | 109.5° |
| C2D | C2C | H14 | 109.3° | 109.4° |
| C2D | C2C | H15 | 109.3° | 109.5° |
| C2D | C2E | C2F | 107.3° | 109.4° |
| C2D | C2E | H10 | 110.0° | 109.5° |
| C2D | C2E | H11 | 110.0° | 109.5° |
| C2E | C2D | H12 | 109.4° | 109.5° |
| C2E | C2D | H13 | 109.4° | 109.5° |
| C2E | C2F | C2G | 109.6° | 109.4° |
| C2E | C2F | H8 | 109.5° | 109.5° |
| C2E | C2F | H9 | 109.5° | 109.5° |
| C2F | C2E | H10 | 110.0° | 109.4° |
| C2F | C2E | H11 | 110.0° | 109.5° |
| C2F | C2G | C2H | 110.4° | 109.5° |
| C2F | C2G | H6 | 109.2° | 109.5° |
| C2F | C2G | H7 | 109.2° | 109.5° |
| C2G | C2F | H8 | 109.4° | 109.5° |
| C2G | C2F | H9 | 109.4° | 109.5° |
| C2G | C2H | C2I | 110.4° | 109.5° |
| C2G | C2H | H4 | 109.2° | 109.5° |
| C2G | C2H | H5 | 109.2° | 109.5° |
| C2H | C2G | H6 | 109.2° | 109.5° |
| C2H | C2G | H7 | 109.2° | 109.5° |
| C2H | C2I | H1 | 109.5° | 109.5° |
| C2H | C2I | H2 | 109.5° | 109.5° |
| C2H | C2I | H3 | 109.4° | 109.5° |
| C2I | C2H | H4 | 109.2° | 109.5° |
| C2I | C2H | H5 | 109.2° | 109.4° |
| H1 | C2I | H2 | 109.4° | 109.4° |
| H1 | C2I | H3 | 109.5° | 109.5° |
| H2 | C2I | H3 | 109.5° | 109.5° |
| H4 | C2H | H5 | 109.5° | 109.5° |
| H6 | C2G | H7 | 109.4° | 109.5° |
| H8 | C2F | H9 | 109.5° | 109.4° |
| H10 | C2E | H11 | 109.5° | 109.5° |
| H12 | C2D | H13 | 109.5° | 109.4° |
| H14 | C2C | H15 | 109.5° | 109.5° |
| H16 | C2B | H17 | 109.5° | 109.5° |
| H18 | C2A | H19 | 109.5° | 109.4° |
| H20 | C29 | H21 | 109.5° | 109.4° |
| H22 | C28 | H23 | 109.5° | 109.4° |
| H24 | C27 | H25 | 109.5° | 109.5° |
| H26 | C26 | H27 | 109.5° | 109.5° |
| H28 | C25 | H29 | 109.5° | 109.5° |
| H30 | C24 | H31 | 109.5° | 109.4° |
| H32 | C23 | H33 | 109.4° | 109.5° |
| H34 | C22 | H35 | 109.5° | 109.4° |
| H37 | C1 | H38 | 109.5° | 109.5° |
| H41 | C3 | H42 | 109.5° | 109.5° |
| H43 | C32 | H44 | 109.5° | 109.5° |
| H45 | C33 | H46 | 109.5° | 109.5° |
| H47 | C34 | H48 | 109.5° | 109.5° |
| H49 | C35 | H50 | 109.5° | 109.5° |
| H51 | C36 | H52 | 109.4° | 109.4° |
| H53 | C37 | H54 | 109.5° | 109.5° |
| H55 | C38 | H56 | 109.5° | 109.4° |
| H57 | C39 | H58 | 109.4° | 109.5° |
| H59 | C3A | H60 | 109.4° | 109.5° |
| H59 | C3A | H61 | 109.4° | 109.5° |
| H60 | C3A | H61 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3A | C39 | C38 | H57 | 120.4° | 120.0° |
| C3A | C39 | C38 | H58 | 120.4° | 120.0° |
| C3A | C39 | C38 | C37 | 98.7° | NaN° |
| C3A | C39 | C38 | H55 | 141.2° | 60.0° |
| C3A | C39 | C38 | H56 | 21.3° | 60.0° |
| C3A | C39 | H57 | H58 | 118.9° | 120.0° |
| C39 | C3A | H59 | H60 | 120.0° | 120.0° |
| C39 | C3A | H59 | H61 | 120.0° | 120.0° |
| C39 | C3A | H60 | H61 | 120.0° | 120.0° |
| C39 | C38 | C37 | C36 | 128.8° | 180.0° |
| C39 | C38 | C37 | H55 | 120.0° | 120.1° |
| C39 | C38 | C37 | H56 | 120.0° | 120.0° |
| C39 | C38 | C37 | H53 | 8.3° | 60.0° |
| C39 | C38 | C37 | H54 | 110.8° | 60.1° |
| C39 | C38 | H55 | H56 | 119.9° | 120.0° |
| C38 | C39 | H57 | H58 | 118.8° | 119.9° |
| C38 | C39 | C3A | H59 | 180.0° | 180.0° |
| C38 | C39 | C3A | H60 | 60.0° | 59.9° |
| C38 | C39 | C3A | H61 | 60.0° | 60.0° |
| C37 | C36 | C35 | H51 | 120.4° | 120.1° |
| C37 | C36 | C35 | H52 | 120.4° | 120.0° |
| C36 | C37 | C38 | H53 | 120.5° | 120.0° |
| C36 | C37 | C38 | H54 | 120.5° | 119.9° |
| C37 | C36 | C35 | C34 | 149.5° | 180.0° |
| C37 | C36 | C35 | H49 | 90.2° | 60.0° |
| C37 | C36 | C35 | H50 | 29.3° | 60.0° |
| C37 | C36 | H51 | H52 | 118.8° | 119.9° |
| C36 | C37 | H53 | H54 | 118.6° | 119.9° |
| C36 | C37 | C38 | H55 | 8.7° | 59.9° |
| C36 | C37 | C38 | H56 | 111.2° | 60.0° |
| C35 | C36 | C37 | C38 | 96.1° | 180.0° |
| C36 | C35 | C34 | H49 | 120.2° | 120.0° |
| C36 | C35 | C34 | H50 | 120.3° | 119.9° |
| C36 | C35 | C34 | C33 | 160.7° | 180.0° |
| C36 | C35 | C34 | H47 | 40.6° | 59.9° |
| C36 | C35 | C34 | H48 | 79.1° | 60.1° |
| C36 | C35 | H49 | H50 | 119.3° | 119.9° |
| C35 | C36 | H51 | H52 | 118.8° | 120.0° |
| C35 | C36 | C37 | H53 | 143.5° | 59.9° |
| C35 | C36 | C37 | H54 | 24.4° | 60.0° |
| C38 | C37 | C36 | H51 | 143.5° | 60.0° |
| C38 | C37 | C36 | H52 | 24.4° | 60.0° |
| C38 | C37 | H53 | H54 | 118.6° | 120.1° |
| C37 | C38 | H55 | H56 | 119.9° | 120.0° |
| C37 | C38 | C39 | H57 | 21.7° | 60.0° |
| C37 | C38 | C39 | H58 | 140.9° | 60.0° |
| C35 | C34 | C33 | H47 | 120.2° | 120.0° |
| C35 | C34 | C33 | H48 | 120.1° | 119.9° |
| C35 | C34 | C33 | C32 | 142.1° | 180.0° |
| C35 | C34 | C33 | H45 | 97.9° | 60.0° |
| C35 | C34 | C33 | H46 | 22.1° | 60.0° |
| C35 | C34 | H47 | H48 | 119.6° | 120.0° |
| C34 | C35 | H49 | H50 | 119.2° | 120.0° |
| C34 | C35 | C36 | H51 | 29.1° | 59.9° |
| C34 | C35 | C36 | H52 | 90.1° | 60.0° |
| C34 | C33 | C32 | H45 | 120.0° | 120.0° |
| C34 | C33 | C32 | H46 | 120.0° | 120.0° |
| C34 | C33 | C32 | C31 | 117.7° | 180.0° |
| C34 | C33 | C32 | H43 | 2.9° | 60.0° |
| C34 | C33 | C32 | H44 | 121.7° | 60.0° |
| C34 | C33 | H45 | H46 | 119.9° | 120.0° |
| C33 | C34 | H47 | H48 | 119.6° | 120.1° |
| C33 | C34 | C35 | H49 | 79.0° | 60.0° |
| C33 | C34 | C35 | H50 | 40.5° | 60.0° |
| C33 | C32 | C31 | H43 | 120.5° | 119.9° |
| C33 | C32 | C31 | H44 | 120.6° | 120.0° |
| C33 | C32 | C31 | O32 | 132.1° | 0.0° |
| C33 | C32 | C31 | O31 | 45.8° | 180.0° |
| C33 | C32 | H43 | H44 | 118.2° | 120.0° |
| C32 | C33 | H45 | H46 | 120.0° | 120.1° |
| C32 | C33 | C34 | H47 | 22.0° | 60.0° |
| C32 | C33 | C34 | H48 | 97.7° | 60.0° |
| C32 | C31 | O32 | O31 | 177.7° | 180.0° |
| C32 | C31 | O31 | C3 | 129.3° | 180.0° |
| C31 | C32 | H43 | H44 | 118.3° | 120.0° |
| C31 | C32 | C33 | H45 | 122.3° | 60.0° |
| C31 | C32 | C33 | H46 | 2.3° | 60.0° |
| O32 | C31 | O31 | C3 | 52.9° | 0.0° |
| O32 | C31 | C32 | H43 | 11.5° | 120.0° |
| O32 | C31 | C32 | H44 | 107.3° | 120.0° |
| C31 | O31 | C3 | C2 | 108.9° | 180.0° |
| C31 | O31 | C3 | H41 | 130.8° | 60.0° |
| C31 | O31 | C3 | H42 | 11.3° | 60.1° |
| O31 | C31 | C32 | H43 | 166.4° | 60.0° |
| O31 | C31 | C32 | H44 | 74.8° | 60.0° |
| O31 | C3 | C2 | H41 | 120.3° | 120.1° |
| O31 | C3 | C2 | H42 | 120.3° | 120.0° |
| O31 | C3 | C2 | O21 | 39.3° | 65.1° |
| O31 | C3 | C2 | C1 | 166.4° | 55.0° |
| O31 | C3 | C2 | H36 | 78.4° | 175.0° |
| O31 | C3 | H41 | H42 | 119.2° | 120.0° |
| C3 | C2 | O21 | C1 | 124.2° | 120.0° |
| C3 | C2 | O21 | H36 | 117.3° | 119.9° |
| C3 | C2 | C1 | H36 | 115.2° | 120.0° |
| C3 | C2 | O21 | C21 | 70.6° | 150.0° |
| C3 | C2 | C1 | O11 | 158.5° | 55.0° |
| C3 | C2 | C1 | H37 | 38.1° | 65.0° |
| C3 | C2 | C1 | H38 | 81.2° | 175.0° |
| C2 | C3 | H41 | H42 | 119.1° | 120.0° |
| O21 | C2 | C1 | H36 | 119.0° | 120.0° |
| C2 | O21 | C21 | C22 | 123.5° | 180.0° |
| C2 | O21 | C21 | O22 | 63.6° | 0.0° |
| O21 | C2 | C1 | O11 | 32.7° | 65.0° |
| O21 | C2 | C1 | H37 | 87.7° | 175.0° |
| O21 | C2 | C1 | H38 | 153.0° | 55.0° |
| O21 | C2 | C3 | H41 | 81.0° | 55.0° |
| O21 | C2 | C3 | H42 | 159.6° | 175.0° |
| C1 | C2 | O21 | C21 | 53.6° | 90.0° |
| C2 | C1 | O11 | H37 | 120.3° | 120.0° |
| C2 | C1 | O11 | H38 | 120.3° | 120.0° |
| C2 | C1 | O11 | P | 156.6° | 180.0° |
| C2 | C1 | H37 | H38 | 119.0° | 120.0° |
| C1 | C2 | C3 | H41 | 46.2° | 175.0° |
| C1 | C2 | C3 | H42 | 73.3° | 65.0° |
| O21 | C21 | C22 | O22 | 173.3° | 180.0° |
| O21 | C21 | C22 | C23 | 121.3° | 180.0° |
| O21 | C21 | C22 | H34 | 1.1° | 59.9° |
| O21 | C21 | C22 | H35 | 118.5° | 60.0° |
| C21 | O21 | C2 | H36 | 172.1° | 30.0° |
| C27 | C26 | C25 | H26 | 119.8° | 120.0° |
| C27 | C26 | C25 | H27 | 119.7° | 119.9° |
| C27 | C26 | C25 | C24 | 115.6° | 180.0° |
| C26 | C27 | C28 | H24 | 120.0° | 120.0° |
| C26 | C27 | C28 | H25 | 120.1° | 120.0° |
| C26 | C27 | C28 | C29 | 174.9° | 180.0° |
| C26 | C27 | C28 | H22 | 54.6° | 60.0° |
| C26 | C27 | C28 | H23 | 64.9° | 60.0° |
| C26 | C27 | H24 | H25 | 119.8° | 120.0° |
| C27 | C26 | H26 | H27 | 120.7° | 119.9° |
| C27 | C26 | C25 | H28 | 4.4° | 60.0° |
| C27 | C26 | C25 | H29 | 124.3° | 60.0° |
| C26 | C25 | C24 | H28 | 120.1° | 119.9° |
| C26 | C25 | C24 | H29 | 120.1° | 120.0° |
| C26 | C25 | C24 | C23 | 171.7° | 180.0° |
| C25 | C26 | C27 | C28 | 133.2° | 180.0° |
| C25 | C26 | C27 | H24 | 13.2° | 60.0° |
| C25 | C26 | C27 | H25 | 106.8° | 60.0° |
| C25 | C26 | H26 | H27 | 120.7° | 120.0° |
| C26 | C25 | H28 | H29 | 119.9° | 120.0° |
| C26 | C25 | C24 | H30 | 68.2° | 60.0° |
| C26 | C25 | C24 | H31 | 51.6° | 60.0° |
| C25 | C24 | C23 | H30 | 120.1° | 120.0° |
| C25 | C24 | C23 | H31 | 120.1° | 120.0° |
| C25 | C24 | C23 | C22 | 144.4° | 180.0° |
| C24 | C25 | C26 | H26 | 124.6° | 60.0° |
| C24 | C25 | C26 | H27 | 4.1° | 60.0° |
| C24 | C25 | H28 | H29 | 119.8° | 120.1° |
| C25 | C24 | H30 | H31 | 119.7° | 120.0° |
| C25 | C24 | C23 | H32 | 95.6° | 60.0° |
| C25 | C24 | C23 | H33 | 24.3° | 60.0° |
| C24 | C23 | C22 | C21 | 156.0° | 180.0° |
| C24 | C23 | C22 | H32 | 120.0° | 120.0° |
| C24 | C23 | C22 | H33 | 120.0° | 120.0° |
| C23 | C24 | C25 | H28 | 51.6° | 60.1° |
| C23 | C24 | C25 | H29 | 68.3° | 60.0° |
| C23 | C24 | H30 | H31 | 119.6° | 120.0° |
| C24 | C23 | H32 | H33 | 120.0° | 120.0° |
| C24 | C23 | C22 | H34 | 35.9° | 60.0° |
| C24 | C23 | C22 | H35 | 83.8° | 60.0° |
| C21 | C22 | C23 | H34 | 120.2° | 120.0° |
| C21 | C22 | C23 | H35 | 120.2° | 120.0° |
| C21 | C22 | C23 | H32 | 36.0° | 60.0° |
| C21 | C22 | C23 | H33 | 83.9° | 60.0° |
| C21 | C22 | H34 | H35 | 119.4° | 120.0° |
| C23 | C22 | C21 | O22 | 52.0° | 0.0° |
| C22 | C23 | C24 | H30 | 24.2° | 60.0° |
| C22 | C23 | C24 | H31 | 95.5° | 60.0° |
| C22 | C23 | H32 | H33 | 120.0° | 120.0° |
| C23 | C22 | H34 | H35 | 119.4° | 120.0° |
| C27 | C28 | C29 | H22 | 120.3° | 120.0° |
| C27 | C28 | C29 | H23 | 120.2° | 120.0° |
| C27 | C28 | C29 | C2A | 99.0° | 180.0° |
| C27 | C28 | C29 | H20 | 21.6° | 60.0° |
| C27 | C28 | C29 | H21 | 140.3° | 60.0° |
| C27 | C28 | H22 | H23 | 119.3° | 120.0° |
| C28 | C27 | H24 | H25 | 119.8° | 120.0° |
| C28 | C27 | C26 | H26 | 13.4° | 60.0° |
| C28 | C27 | C26 | H27 | 107.0° | 60.0° |
| C28 | C29 | C2A | H20 | 120.7° | 120.0° |
| C28 | C29 | C2A | H21 | 120.7° | 120.0° |
| C28 | C29 | C2A | C2B | 44.3° | 180.0° |
| C28 | C29 | C2A | H18 | 76.5° | 60.0° |
| C28 | C29 | C2A | H19 | 165.0° | 60.0° |
| C28 | C29 | H20 | H21 | 118.0° | 120.0° |
| C29 | C28 | H22 | H23 | 119.2° | 120.0° |
| C29 | C28 | C27 | H24 | 65.1° | 60.0° |
| C29 | C28 | C27 | H25 | 54.8° | 60.0° |
| O22 | C21 | C22 | H34 | 172.2° | 120.0° |
| O22 | C21 | C22 | H35 | 68.2° | 120.0° |
| C1 | O11 | P | O14 | 57.5° | 55.0° |
| C1 | O11 | P | O13 | 58.0° | 175.0° |
| C1 | O11 | P | O12 | 171.8° | 65.0° |
| O11 | C1 | C2 | H36 | 86.3° | 175.0° |
| O11 | C1 | H37 | H38 | 119.0° | 120.0° |
| C29 | C2A | C2B | H18 | 120.7° | 120.1° |
| C29 | C2A | C2B | H19 | 120.8° | 120.0° |
| C29 | C2A | C2B | C2C | 133.5° | 180.0° |
| C29 | C2A | C2B | H16 | 13.3° | 59.9° |
| C29 | C2A | C2B | H17 | 106.3° | 60.0° |
| C29 | C2A | H18 | H19 | 117.6° | 120.0° |
| C2A | C29 | H20 | H21 | 118.0° | 120.0° |
| C2A | C29 | C28 | H22 | 140.7° | 60.0° |
| C2A | C29 | C28 | H23 | 21.2° | 60.0° |
| O11 | P | O14 | O13 | 114.4° | 120.0° |
| O11 | P | O14 | O12 | 123.8° | 120.0° |
| O11 | P | O13 | O12 | 114.6° | 120.0° |
| P | O11 | C1 | H37 | 36.3° | 60.0° |
| P | O11 | C1 | H38 | 83.0° | 60.0° |
| O11 | P | O13 | H39 | 115.8° | 180.0° |
| O11 | P | O12 | H40 | 124.0° | 60.0° |
| C2A | C2B | C2C | H16 | 120.2° | 120.0° |
| C2A | C2B | C2C | H17 | 120.2° | 119.9° |
| C2A | C2B | C2C | C2D | 84.1° | 179.9° |
| C2A | C2B | C2C | H14 | 36.0° | 60.0° |
| C2A | C2B | C2C | H15 | 155.8° | 60.0° |
| C2A | C2B | H16 | H17 | 119.5° | 119.9° |
| C2B | C2A | H18 | H19 | 117.6° | 120.0° |
| C2B | C2A | C29 | H20 | 164.9° | 59.9° |
| C2B | C2A | C29 | H21 | 76.4° | 60.0° |
| C2B | C2C | C2D | H14 | 120.1° | 119.9° |
| C2B | C2C | C2D | H15 | 120.1° | 120.0° |
| C2B | C2C | C2D | C2E | 104.5° | 180.0° |
| C2B | C2C | C2D | H12 | 15.4° | 60.0° |
| C2B | C2C | C2D | H13 | 135.4° | 60.0° |
| C2B | C2C | H14 | H15 | 119.7° | 120.0° |
| C2C | C2B | H16 | H17 | 119.5° | 120.0° |
| C2C | C2B | C2A | H18 | 105.7° | 60.0° |
| C2C | C2B | C2A | H19 | 12.7° | 60.0° |
| O14 | P | O13 | O12 | 129.6° | 120.0° |
| O14 | P | O13 | H39 | 0.0° | 60.0° |
| O14 | P | O12 | H40 | 0.0° | 180.0° |
| O13 | P | O12 | H40 | 122.4° | 60.1° |
| O12 | P | O13 | H39 | 129.6° | 60.0° |
| C2C | C2D | C2E | H12 | 120.0° | 120.0° |
| C2C | C2D | C2E | H13 | 120.1° | 120.0° |
| C2C | C2D | C2E | C2F | 161.0° | 180.0° |
| C2C | C2D | C2E | H10 | 79.3° | 60.0° |
| C2C | C2D | C2E | H11 | 41.4° | 60.0° |
| C2C | C2D | H12 | H13 | 120.0° | 120.0° |
| C2D | C2C | H14 | H15 | 119.7° | 120.1° |
| C2D | C2C | C2B | H16 | 155.7° | 60.0° |
| C2D | C2C | C2B | H17 | 36.1° | 60.0° |
| C2D | C2E | C2F | H10 | 119.7° | 120.0° |
| C2D | C2E | C2F | H11 | 119.6° | 120.0° |
| C2D | C2E | C2F | C2G | 174.9° | NaN° |
| C2D | C2E | C2F | H8 | 65.0° | 60.0° |
| C2D | C2E | C2F | H9 | 54.9° | 60.0° |
| C2D | C2E | H10 | H11 | 121.0° | 120.0° |
| C2E | C2D | H12 | H13 | 119.9° | 120.0° |
| C2E | C2D | C2C | H14 | 135.3° | 60.1° |
| C2E | C2D | C2C | H15 | 15.6° | 60.0° |
| C2E | C2F | C2G | H8 | 120.0° | 120.0° |
| C2E | C2F | C2G | H9 | 120.0° | 120.0° |
| C2E | C2F | C2G | C2H | 92.1° | 180.0° |
| C2E | C2F | C2G | H6 | 28.1° | 60.0° |
| C2E | C2F | C2G | H7 | 147.8° | 60.0° |
| C2E | C2F | H8 | H9 | 120.0° | 120.0° |
| C2F | C2E | H10 | H11 | 121.0° | 120.0° |
| C2F | C2E | C2D | H12 | 41.1° | 60.0° |
| C2F | C2E | C2D | H13 | 78.9° | 60.0° |
| C2F | C2G | C2H | H6 | 120.2° | 120.0° |
| C2F | C2G | C2H | H7 | 120.2° | 120.0° |
| C2F | C2G | C2H | C2I | 97.3° | 180.0° |
| C2F | C2G | C2H | H4 | 22.9° | 60.0° |
| C2F | C2G | C2H | H5 | 142.6° | 60.1° |
| C2F | C2G | H6 | H7 | 119.6° | 120.0° |
| C2G | C2F | H8 | H9 | 119.9° | 120.0° |
| C2G | C2F | C2E | H10 | 55.3° | 60.0° |
| C2G | C2F | C2E | H11 | 65.4° | 60.0° |
| C2G | C2H | C2I | H4 | 120.2° | 120.0° |
| C2G | C2H | C2I | H5 | 120.1° | 120.0° |
| C2G | C2H | C2I | H1 | 180.0° | 60.0° |
| C2G | C2H | C2I | H2 | 60.0° | 60.0° |
| C2G | C2H | C2I | H3 | 60.0° | 180.0° |
| C2G | C2H | H4 | H5 | 119.6° | 120.0° |
| C2H | C2G | H6 | H7 | 119.5° | 120.0° |
| C2H | C2G | C2F | H8 | 147.9° | 60.0° |
| C2H | C2G | C2F | H9 | 28.0° | 60.0° |
| C2H | C2I | H1 | H2 | 120.0° | 120.0° |
| C2H | C2I | H1 | H3 | 120.0° | 120.0° |
| C2H | C2I | H2 | H3 | 120.0° | 120.0° |
| C2I | C2H | H4 | H5 | 119.6° | 120.0° |
| C2I | C2H | C2G | H6 | 142.6° | 60.0° |
| C2I | C2H | C2G | H7 | 22.9° | 60.0° |
| H1 | C2I | H2 | H3 | 120.0° | 120.0° |
| H1 | C2I | C2H | H4 | 59.8° | 60.0° |
| H1 | C2I | C2H | H5 | 59.9° | 180.0° |
| H2 | C2I | C2H | H4 | 179.8° | NaN° |
| H2 | C2I | C2H | H5 | 60.1° | 60.0° |
| H3 | C2I | C2H | H4 | 60.2° | 60.0° |
| H3 | C2I | C2H | H5 | 179.9° | 60.0° |
| H4 | C2H | C2G | H6 | 97.3° | 179.9° |
| H4 | C2H | C2G | H7 | 143.0° | 60.0° |
| H5 | C2H | C2G | H6 | 22.4° | 59.9° |
| H5 | C2H | C2G | H7 | 97.3° | 180.0° |
| H6 | C2G | C2F | H8 | 91.9° | 180.0° |
| H6 | C2G | C2F | H9 | 148.1° | 60.0° |
| H7 | C2G | C2F | H8 | 27.8° | 60.0° |
| H7 | C2G | C2F | H9 | 92.2° | 180.0° |
| H8 | C2F | C2E | H10 | 175.3° | 179.9° |
| H8 | C2F | C2E | H11 | 54.6° | 60.0° |
| H9 | C2F | C2E | H10 | 64.7° | 60.0° |
| H9 | C2F | C2E | H11 | 174.6° | 180.0° |
| H10 | C2E | C2D | H12 | 160.7° | 180.0° |
| H10 | C2E | C2D | H13 | 40.8° | 60.0° |
| H11 | C2E | C2D | H12 | 78.6° | 60.0° |
| H11 | C2E | C2D | H13 | 161.5° | 180.0° |
| H12 | C2D | C2C | H14 | 104.7° | 179.9° |
| H12 | C2D | C2C | H15 | 135.6° | 60.0° |
| H13 | C2D | C2C | H14 | 15.3° | 59.9° |
| H13 | C2D | C2C | H15 | 104.5° | 180.0° |
| H14 | C2C | C2B | H16 | 84.2° | 179.9° |
| H14 | C2C | C2B | H17 | 156.2° | 59.9° |
| H15 | C2C | C2B | H16 | 35.6° | 60.0° |
| H15 | C2C | C2B | H17 | 84.0° | 180.0° |
| H16 | C2B | C2A | H18 | 134.1° | 180.0° |
| H16 | C2B | C2A | H19 | 107.4° | 60.0° |
| H17 | C2B | C2A | H18 | 14.4° | 60.0° |
| H17 | C2B | C2A | H19 | 132.9° | 180.0° |
| H18 | C2A | C29 | H20 | 44.2° | 180.0° |
| H18 | C2A | C29 | H21 | 162.9° | 60.0° |
| H19 | C2A | C29 | H20 | 74.3° | 60.0° |
| H19 | C2A | C29 | H21 | 44.4° | 180.0° |
| H20 | C29 | C28 | H22 | 98.7° | 180.0° |
| H20 | C29 | C28 | H23 | 141.9° | 60.0° |
| H21 | C29 | C28 | H22 | 20.1° | 60.0° |
| H21 | C29 | C28 | H23 | 99.4° | 180.0° |
| H22 | C28 | C27 | H24 | 174.7° | 180.0° |
| H22 | C28 | C27 | H25 | 65.4° | 60.0° |
| H23 | C28 | C27 | H24 | 55.1° | 60.0° |
| H23 | C28 | C27 | H25 | 175.0° | 180.0° |
| H24 | C27 | C26 | H26 | 106.6° | 179.9° |
| H24 | C27 | C26 | H27 | 132.9° | 59.9° |
| H25 | C27 | C26 | H26 | 133.5° | 60.0° |
| H25 | C27 | C26 | H27 | 13.0° | 180.0° |
| H26 | C26 | C25 | H28 | 115.4° | 180.0° |
| H26 | C26 | C25 | H29 | 4.5° | 60.0° |
| H27 | C26 | C25 | H28 | 124.2° | 59.9° |
| H27 | C26 | C25 | H29 | 116.0° | 179.9° |
| H28 | C25 | C24 | H30 | 171.7° | 179.9° |
| H28 | C25 | C24 | H31 | 68.5° | 59.9° |
| H29 | C25 | C24 | H30 | 51.9° | 60.0° |
| H29 | C25 | C24 | H31 | 171.6° | 180.0° |
| H30 | C24 | C23 | H32 | 144.2° | 180.0° |
| H30 | C24 | C23 | H33 | 95.8° | 60.0° |
| H31 | C24 | C23 | H32 | 24.5° | 60.0° |
| H31 | C24 | C23 | H33 | 144.5° | 180.0° |
| H32 | C23 | C22 | H34 | 84.2° | 180.0° |
| H32 | C23 | C22 | H35 | 156.2° | 60.0° |
| H33 | C23 | C22 | H34 | 155.9° | 60.0° |
| H33 | C23 | C22 | H35 | 36.3° | 180.0° |
| H36 | C2 | C1 | H37 | 153.3° | 55.0° |
| H36 | C2 | C1 | H38 | 34.0° | 65.0° |
| H36 | C2 | C3 | H41 | 161.3° | 64.9° |
| H36 | C2 | C3 | H42 | 41.9° | 55.0° |
| H43 | C32 | C33 | H45 | 117.2° | 180.0° |
| H43 | C32 | C33 | H46 | 122.9° | 60.0° |
| H44 | C32 | C33 | H45 | 1.7° | 60.0° |
| H44 | C32 | C33 | H46 | 118.3° | 180.0° |
| H45 | C33 | C34 | H47 | 142.0° | 180.0° |
| H45 | C33 | C34 | H48 | 22.3° | 60.0° |
| H46 | C33 | C34 | H47 | 98.0° | 60.0° |
| H46 | C33 | C34 | H48 | 142.2° | 180.0° |
| H47 | C34 | C35 | H49 | 160.8° | 180.0° |
| H47 | C34 | C35 | H50 | 79.7° | 60.0° |
| H48 | C34 | C35 | H49 | 41.1° | 60.0° |
| H48 | C34 | C35 | H50 | 160.6° | 180.0° |
| H49 | C35 | C36 | H51 | 149.3° | 180.0° |
| H49 | C35 | C36 | H52 | 30.2° | 60.0° |
| H50 | C35 | C36 | H51 | 91.1° | 60.1° |
| H50 | C35 | C36 | H52 | 149.7° | 180.0° |
| H51 | C36 | C37 | H53 | 23.1° | 180.0° |
| H51 | C36 | C37 | H54 | 96.0° | 60.0° |
| H52 | C36 | C37 | H53 | 96.1° | 60.1° |
| H52 | C36 | C37 | H54 | 144.8° | 180.0° |
| H53 | C37 | C38 | H55 | 111.7° | 179.9° |
| H53 | C37 | C38 | H56 | 128.3° | 60.0° |
| H54 | C37 | C38 | H55 | 129.2° | 60.0° |
| H54 | C37 | C38 | H56 | 9.2° | 179.9° |
| H55 | C38 | C39 | H57 | 98.4° | 180.0° |
| H55 | C38 | C39 | H58 | 20.8° | 60.0° |
| H56 | C38 | C39 | H57 | 141.7° | 60.1° |
| H56 | C38 | C39 | H58 | 99.1° | 179.9° |
| H57 | C39 | C3A | H59 | 59.6° | 60.0° |
| H57 | C39 | C3A | H60 | 60.4° | 179.9° |
| H57 | C39 | C3A | H61 | 179.6° | 60.0° |
| H58 | C39 | C3A | H59 | 59.6° | 60.0° |
| H58 | C39 | C3A | H60 | 179.6° | 60.0° |
| H58 | C39 | C3A | H61 | 60.3° | 180.0° |
| H59 | C3A | H60 | H61 | 119.9° | 120.0° |
