6F6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2I | C2H | sing | 1.53Å | 1.53Å | |
| C2H | C2G | sing | 1.53Å | 1.53Å | |
| C2G | C2F | sing | 1.53Å | 1.54Å | |
| C2F | C2E | sing | 1.53Å | 1.56Å | |
| C2E | C2D | sing | 1.53Å | 1.54Å | |
| C2D | C2C | sing | 1.53Å | 1.53Å | |
| C3B | C3A | sing | 1.53Å | 1.53Å | |
| C2C | C2B | sing | 1.53Å | 1.54Å | |
| C3A | C39 | sing | 1.53Å | 1.55Å | |
| C2B | C2A | sing | 1.53Å | 1.54Å | |
| 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 | 1.53Å | |
| C37 | C36 | sing | 1.53Å | 1.55Å | |
| C28 | C27 | sing | 1.53Å | 1.54Å | |
| C36 | C35 | sing | 1.53Å | 1.54Å | |
| C27 | C26 | sing | 1.53Å | 1.53Å | |
| 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 | 1.53Å | |
| C32 | C31 | sing | 1.51Å | 1.51Å | |
| C23 | C22 | sing | 1.53Å | 1.53Å | |
| C22 | C21 | sing | 1.51Å | 1.51Å | |
| C31 | O32 | doub | 1.21Å | 1.22Å | |
| C31 | O31 | sing | 1.34Å | 1.38Å | |
| C15 | N | sing | 1.47Å | 1.54Å | |
| O31 | C3 | sing | 1.45Å | 1.44Å | |
| C21 | O22 | doub | 1.21Å | 1.21Å | |
| C21 | O21 | sing | 1.34Å | 1.38Å | |
| C14 | N | sing | 1.47Å | 1.54Å | |
| C13 | N | sing | 1.47Å | 1.53Å | |
| N | C12 | sing | 1.47Å | 1.59Å | |
| C3 | C2 | sing | 1.53Å | 1.56Å | |
| O21 | C2 | sing | 1.45Å | 1.45Å | |
| C2 | C1 | sing | 1.53Å | 1.56Å | |
| C1 | O11 | sing | 1.43Å | 1.39Å | |
| C12 | C11 | sing | 1.53Å | 1.59Å | |
| C11 | O13 | sing | 1.43Å | 1.39Å | |
| O11 | P | sing | 1.61Å | 1.69Å | |
| O12 | P | doub | 1.48Å | 1.50Å | |
| O13 | P | sing | 1.61Å | 1.79Å | |
| P | O14 | sing | 1.61Å | 1.48Å | |
| O14 | H1 | sing | 0.97Å | 0.95Å | |
| C11 | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H14 | sing | 1.09Å | 1.10Å | |
| C1 | H15 | sing | 1.09Å | 1.10Å | |
| C1 | H16 | sing | 1.09Å | 1.10Å | |
| C2 | H17 | sing | 1.09Å | 1.10Å | |
| C22 | H18 | sing | 1.09Å | 1.10Å | |
| C22 | H19 | sing | 1.09Å | 1.10Å | |
| C23 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C24 | H22 | sing | 1.09Å | 1.10Å | |
| C24 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H28 | sing | 1.09Å | 1.10Å | |
| C27 | H29 | sing | 1.09Å | 1.10Å | |
| C28 | H30 | sing | 1.09Å | 1.10Å | |
| C28 | H31 | sing | 1.09Å | 1.10Å | |
| C29 | H32 | sing | 1.09Å | 1.10Å | |
| C29 | H33 | sing | 1.09Å | 1.10Å | |
| C2A | H34 | sing | 1.09Å | 1.10Å | |
| C2A | H35 | sing | 1.09Å | 1.10Å | |
| C2B | H36 | sing | 1.09Å | 1.10Å | |
| C2B | H37 | sing | 1.09Å | 1.10Å | |
| C2C | H38 | sing | 1.09Å | 1.10Å | |
| C2C | H39 | sing | 1.09Å | 1.10Å | |
| C2D | H40 | sing | 1.09Å | 1.10Å | |
| C2D | H41 | sing | 1.09Å | 1.10Å | |
| C2E | H42 | sing | 1.09Å | 1.10Å | |
| C2E | H43 | sing | 1.09Å | 1.10Å | |
| C2F | H44 | sing | 1.09Å | 1.10Å | |
| C2F | H45 | sing | 1.09Å | 1.10Å | |
| C2G | H46 | sing | 1.09Å | 1.10Å | |
| C2G | H47 | sing | 1.09Å | 1.10Å | |
| C2H | H48 | sing | 1.09Å | 1.10Å | |
| C2H | H49 | sing | 1.09Å | 1.10Å | |
| C2I | H50 | sing | 1.09Å | 1.10Å | |
| C2I | H51 | sing | 1.09Å | 1.10Å | |
| C2I | H52 | sing | 1.09Å | 1.10Å | |
| C3 | H53 | sing | 1.09Å | 1.10Å | |
| C3 | H54 | sing | 1.09Å | 1.10Å | |
| C32 | H55 | sing | 1.09Å | 1.10Å | |
| C32 | H56 | sing | 1.09Å | 1.10Å | |
| C33 | H57 | sing | 1.09Å | 1.10Å | |
| C33 | H58 | sing | 1.09Å | 1.10Å | |
| C34 | H59 | sing | 1.09Å | 1.10Å | |
| C34 | H60 | sing | 1.09Å | 1.10Å | |
| C35 | H61 | sing | 1.09Å | 1.10Å | |
| C35 | H62 | sing | 1.09Å | 1.10Å | |
| C36 | H63 | sing | 1.09Å | 1.10Å | |
| C36 | H64 | sing | 1.09Å | 1.10Å | |
| C37 | H65 | sing | 1.09Å | 1.10Å | |
| C37 | H66 | sing | 1.09Å | 1.10Å | |
| C38 | H67 | sing | 1.09Å | 1.10Å | |
| C38 | H68 | sing | 1.09Å | 1.10Å | |
| C39 | H69 | sing | 1.09Å | 1.10Å | |
| C39 | H70 | sing | 1.09Å | 1.10Å | |
| C3A | H71 | sing | 1.09Å | 1.10Å | |
| C3A | H72 | sing | 1.09Å | 1.10Å | |
| C3B | H73 | sing | 1.09Å | 1.10Å | |
| C3B | H74 | sing | 1.09Å | 1.10Å | |
| C3B | C4 | sing | 1.53Å | 87.74Å | |
| C4 | C5 | sing | 1.53Å | 0.00Å | |
| C5 | C6 | sing | 1.53Å | 0.00Å | |
| C6 | C7 | sing | 1.53Å | 0.00Å | |
| C7 | C8 | sing | 1.53Å | 0.00Å | |
| C8 | C9 | sing | 1.53Å | 0.00Å | |
| C9 | C10 | sing | 1.53Å | 0.00Å | |
| C4 | H75 | sing | 1.09Å | 0.00Å | |
| C4 | H76 | sing | 1.09Å | 0.00Å | |
| C5 | H77 | sing | 1.09Å | 0.00Å | |
| C5 | H78 | sing | 1.09Å | 0.00Å | |
| C6 | H79 | sing | 1.09Å | 0.00Å | |
| C6 | H80 | sing | 1.09Å | 0.00Å | |
| C7 | H81 | sing | 1.09Å | 0.00Å | |
| C7 | H82 | sing | 1.09Å | 0.00Å | |
| C8 | H83 | sing | 1.09Å | 0.00Å | |
| C8 | H84 | sing | 1.09Å | 0.00Å | |
| C9 | H85 | sing | 1.09Å | 0.00Å | |
| C9 | H86 | sing | 1.09Å | 0.00Å | |
| C10 | H87 | sing | 1.09Å | 0.00Å | |
| C10 | H88 | sing | 1.09Å | 0.00Å | |
| C10 | H89 | sing | 1.09Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2I | C2H | C2G | 109.6° | 109.5° |
| C2I | C2H | H48 | 109.5° | 109.5° |
| C2I | C2H | H49 | 109.4° | 109.5° |
| C2H | C2I | H50 | 109.5° | 109.4° |
| C2H | C2I | H51 | 109.5° | 109.5° |
| C2H | C2I | H52 | 109.5° | 109.5° |
| C2H | C2G | C2F | 111.7° | 109.4° |
| C2H | C2G | H46 | 108.9° | 109.4° |
| C2H | C2G | H47 | 108.9° | 109.5° |
| C2G | C2H | H48 | 109.5° | 109.4° |
| C2G | C2H | H49 | 109.5° | 109.5° |
| C2G | C2F | C2E | 112.2° | 109.4° |
| C2G | C2F | H44 | 108.8° | 109.5° |
| C2G | C2F | H45 | 108.8° | 109.6° |
| C2F | C2G | H46 | 108.9° | 109.5° |
| C2F | C2G | H47 | 108.9° | 109.5° |
| C2F | C2E | C2D | 110.3° | 109.5° |
| C2F | C2E | H42 | 109.2° | 109.5° |
| C2F | C2E | H43 | 109.3° | 109.5° |
| C2E | C2F | H44 | 108.8° | 109.4° |
| C2E | C2F | H45 | 108.8° | 109.5° |
| C2E | C2D | C2C | 111.0° | 109.5° |
| C2E | C2D | H40 | 109.1° | 109.4° |
| C2E | C2D | H41 | 109.1° | 109.5° |
| C2D | C2E | H42 | 109.3° | 109.4° |
| C2D | C2E | H43 | 109.3° | 109.5° |
| C2D | C2C | C2B | 110.7° | 109.5° |
| C2D | C2C | H38 | 109.2° | 109.4° |
| C2D | C2C | H39 | 109.2° | 109.5° |
| C2C | C2D | H40 | 109.1° | 109.4° |
| C2C | C2D | H41 | 109.1° | 109.5° |
| C3B | C3A | C39 | 110.9° | 109.5° |
| C3B | C3A | H71 | 109.1° | 109.5° |
| C3B | C3A | H72 | 109.1° | 109.4° |
| C3A | C3B | H73 | 111.6° | 109.5° |
| C3A | C3B | H74 | 111.6° | 109.4° |
| C3A | C3B | C4 | 100.7° | 109.5° |
| C2C | C2B | C2A | 110.7° | 109.5° |
| C2C | C2B | H36 | 109.2° | 109.4° |
| C2C | C2B | H37 | 109.2° | 109.5° |
| C2B | C2C | H38 | 109.1° | 109.4° |
| C2B | C2C | H39 | 109.2° | 109.5° |
| C3A | C39 | C38 | 110.6° | 109.5° |
| C3A | C39 | H69 | 109.2° | 109.5° |
| C3A | C39 | H70 | 109.2° | 109.5° |
| C39 | C3A | H71 | 109.1° | 109.5° |
| C39 | C3A | H72 | 109.1° | 109.4° |
| C2B | C2A | C29 | 111.6° | 109.5° |
| C2B | C2A | H34 | 108.9° | 109.5° |
| C2B | C2A | H35 | 108.9° | 109.5° |
| C2A | C2B | H36 | 109.2° | 109.5° |
| C2A | C2B | H37 | 109.2° | 109.5° |
| C39 | C38 | C37 | 112.9° | 109.5° |
| C39 | C38 | H67 | 108.6° | 109.5° |
| C39 | C38 | H68 | 108.6° | 109.5° |
| C38 | C39 | H69 | 109.2° | 109.4° |
| C38 | C39 | H70 | 109.2° | 109.5° |
| C2A | C29 | C28 | 110.8° | 109.5° |
| C2A | C29 | H32 | 109.1° | 109.5° |
| C2A | C29 | H33 | 109.1° | 109.4° |
| C29 | C2A | H34 | 108.9° | 109.5° |
| C29 | C2A | H35 | 108.9° | 109.4° |
| C38 | C37 | C36 | 109.9° | 109.5° |
| C38 | C37 | H65 | 109.4° | 109.4° |
| C38 | C37 | H66 | 109.4° | 109.4° |
| C37 | C38 | H67 | 108.6° | 109.5° |
| C37 | C38 | H68 | 108.6° | 109.4° |
| C29 | C28 | C27 | 108.6° | 109.4° |
| C29 | C28 | H30 | 109.7° | 109.5° |
| C29 | C28 | H31 | 109.7° | 109.4° |
| C28 | C29 | H32 | 109.2° | 109.5° |
| C28 | C29 | H33 | 109.1° | 109.5° |
| C37 | C36 | C35 | 111.6° | 109.5° |
| C37 | C36 | H63 | 108.9° | 109.4° |
| C37 | C36 | H64 | 108.9° | 109.5° |
| C36 | C37 | H65 | 109.4° | 109.5° |
| C36 | C37 | H66 | 109.3° | 109.5° |
| C28 | C27 | C26 | 111.8° | 109.5° |
| C28 | C27 | H28 | 108.9° | 109.5° |
| C28 | C27 | H29 | 108.9° | 109.5° |
| C27 | C28 | H30 | 109.7° | 109.5° |
| C27 | C28 | H31 | 109.7° | 109.5° |
| C36 | C35 | C34 | 111.3° | 109.5° |
| C36 | C35 | H61 | 109.0° | 109.5° |
| C36 | C35 | H62 | 109.0° | 109.5° |
| C35 | C36 | H63 | 108.9° | 109.5° |
| C35 | C36 | H64 | 108.9° | 109.5° |
| C27 | C26 | C25 | 110.2° | 109.5° |
| C27 | C26 | H26 | 109.2° | 109.4° |
| C27 | C26 | H27 | 109.3° | 109.5° |
| C26 | C27 | H28 | 108.9° | 109.4° |
| C26 | C27 | H29 | 108.9° | 109.5° |
| C35 | C34 | C33 | 110.9° | 109.5° |
| C35 | C34 | H59 | 109.1° | 109.4° |
| C35 | C34 | H60 | 109.1° | 109.5° |
| C34 | C35 | H61 | 109.0° | 109.4° |
| C34 | C35 | H62 | 109.0° | 109.5° |
| C26 | C25 | C24 | 110.2° | 109.4° |
| C26 | C25 | H24 | 109.3° | 109.5° |
| C26 | C25 | H25 | 109.3° | 109.5° |
| C25 | C26 | H26 | 109.3° | 109.5° |
| C25 | C26 | H27 | 109.3° | 109.5° |
| C34 | C33 | C32 | 110.4° | 109.4° |
| C34 | C33 | H57 | 109.3° | 109.5° |
| C34 | C33 | H58 | 109.2° | 109.5° |
| C33 | C34 | H59 | 109.1° | 109.5° |
| C33 | C34 | H60 | 109.1° | 109.5° |
| C25 | C24 | C23 | 110.1° | 109.5° |
| C25 | C24 | H22 | 109.3° | 109.5° |
| C25 | C24 | H23 | 109.3° | 109.5° |
| C24 | C25 | H24 | 109.3° | 109.4° |
| C24 | C25 | H25 | 109.3° | 109.4° |
| C33 | C32 | C31 | 109.9° | 109.5° |
| C33 | C32 | H55 | 109.4° | 109.5° |
| C33 | C32 | H56 | 109.4° | 109.5° |
| C32 | C33 | H57 | 109.2° | 109.4° |
| C32 | C33 | H58 | 109.2° | 109.5° |
| C24 | C23 | C22 | 107.4° | 109.5° |
| C24 | C23 | H20 | 110.0° | 109.5° |
| C24 | C23 | H21 | 110.0° | 109.4° |
| C23 | C24 | H22 | 109.3° | 109.5° |
| C23 | C24 | H23 | 109.3° | 109.5° |
| C32 | C31 | O32 | 126.3° | 120.0° |
| C32 | C31 | O31 | 112.2° | 120.1° |
| C31 | C32 | H55 | 109.3° | 109.4° |
| C31 | C32 | H56 | 109.4° | 109.5° |
| C23 | C22 | C21 | 112.5° | 109.5° |
| C23 | C22 | H18 | 108.7° | 109.5° |
| C23 | C22 | H19 | 108.7° | 109.5° |
| C22 | C23 | H20 | 110.0° | 109.5° |
| C22 | C23 | H21 | 110.0° | 109.5° |
| C22 | C21 | O22 | 126.4° | 120.0° |
| C22 | C21 | O21 | 112.3° | 120.0° |
| C21 | C22 | H18 | 108.7° | 109.5° |
| C21 | C22 | H19 | 108.7° | 109.5° |
| O32 | C31 | O31 | 121.5° | 119.9° |
| C31 | O31 | C3 | 119.9° | 117.0° |
| C15 | N | C14 | 109.3° | 109.5° |
| C15 | N | C13 | 107.6° | 109.5° |
| C15 | N | C12 | 113.0° | 109.4° |
| N | C15 | H12 | 109.5° | 109.5° |
| N | C15 | H13 | 109.5° | 109.4° |
| N | C15 | H14 | 109.5° | 109.6° |
| O31 | C3 | C2 | 113.2° | 109.5° |
| O31 | C3 | H53 | 108.5° | 109.5° |
| O31 | C3 | H54 | 108.5° | 109.5° |
| O22 | C21 | O21 | 121.3° | 120.0° |
| C21 | O21 | C2 | 125.4° | 117.0° |
| C14 | N | C13 | 106.4° | 109.5° |
| C14 | N | C12 | 110.2° | 109.4° |
| N | C14 | H9 | 109.5° | 109.5° |
| N | C14 | H10 | 109.4° | 109.4° |
| N | C14 | H11 | 109.5° | 109.5° |
| C13 | N | C12 | 110.2° | 109.5° |
| N | C13 | H6 | 109.5° | 109.5° |
| N | C13 | H7 | 109.5° | 109.5° |
| N | C13 | H8 | 109.5° | 109.5° |
| N | C12 | C11 | 116.8° | 109.5° |
| N | C12 | H4 | 107.6° | 109.5° |
| N | C12 | H5 | 107.6° | 109.5° |
| C3 | C2 | O21 | 111.8° | 109.5° |
| C3 | C2 | C1 | 108.1° | 109.5° |
| C3 | C2 | H17 | 106.1° | 109.5° |
| C2 | C3 | H53 | 108.5° | 109.4° |
| C2 | C3 | H54 | 108.5° | 109.5° |
| O21 | C2 | C1 | 116.8° | 109.5° |
| O21 | C2 | H17 | 107.3° | 109.4° |
| C2 | C1 | O11 | 108.3° | 109.5° |
| C2 | C1 | H15 | 109.8° | 109.5° |
| C2 | C1 | H16 | 109.7° | 109.5° |
| C1 | C2 | H17 | 106.1° | 109.5° |
| C1 | O11 | P | 127.5° | 123.0° |
| O11 | C1 | H15 | 109.7° | 109.5° |
| O11 | C1 | H16 | 109.7° | 109.5° |
| C12 | C11 | O13 | 108.4° | 109.5° |
| C12 | C11 | H2 | 109.7° | 109.5° |
| C12 | C11 | H3 | 109.7° | 109.5° |
| C11 | C12 | H4 | 107.6° | 109.4° |
| C11 | C12 | H5 | 107.6° | 109.5° |
| C11 | O13 | P | 121.2° | 123.0° |
| O13 | C11 | H2 | 109.7° | 109.5° |
| O13 | C11 | H3 | 109.7° | 109.5° |
| O11 | P | O12 | 107.3° | 109.5° |
| O11 | P | O13 | 105.3° | 109.5° |
| O11 | P | O14 | 101.3° | 109.5° |
| O12 | P | O13 | 102.5° | 109.5° |
| O12 | P | O14 | 132.5° | 109.5° |
| O13 | P | O14 | 105.5° | 109.4° |
| P | O14 | H1 | 109.5° | 114.0° |
| H2 | C11 | H3 | 109.5° | 109.5° |
| H4 | C12 | H5 | 109.5° | 109.5° |
| H6 | C13 | H7 | 109.5° | 109.4° |
| H6 | C13 | H8 | 109.5° | 109.5° |
| H7 | C13 | H8 | 109.4° | 109.5° |
| H9 | C14 | H10 | 109.5° | 109.5° |
| H9 | C14 | H11 | 109.5° | 109.4° |
| H10 | C14 | H11 | 109.5° | 109.5° |
| H12 | C15 | H13 | 109.4° | 109.4° |
| H12 | C15 | H14 | 109.4° | 109.5° |
| H13 | C15 | H14 | 109.5° | 109.4° |
| H15 | C1 | H16 | 109.5° | 109.5° |
| H18 | C22 | H19 | 109.5° | 109.5° |
| H20 | C23 | H21 | 109.5° | 109.5° |
| H22 | C24 | H23 | 109.5° | 109.4° |
| H24 | C25 | H25 | 109.4° | 109.5° |
| H26 | C26 | H27 | 109.5° | 109.4° |
| H28 | C27 | H29 | 109.4° | 109.5° |
| H30 | C28 | H31 | 109.5° | 109.5° |
| H32 | C29 | H33 | 109.5° | 109.5° |
| H34 | C2A | H35 | 109.5° | 109.5° |
| H36 | C2B | H37 | 109.4° | 109.5° |
| H38 | C2C | H39 | 109.4° | 109.4° |
| H40 | C2D | H41 | 109.5° | 109.5° |
| H42 | C2E | H43 | 109.5° | 109.5° |
| H44 | C2F | H45 | 109.4° | 109.5° |
| H46 | C2G | H47 | 109.5° | 109.5° |
| H48 | C2H | H49 | 109.5° | 109.5° |
| H50 | C2I | H51 | 109.5° | 109.4° |
| H50 | C2I | H52 | 109.5° | 109.4° |
| H51 | C2I | H52 | 109.5° | 109.5° |
| H53 | C3 | H54 | 109.4° | 109.4° |
| H55 | C32 | H56 | 109.5° | 109.4° |
| H57 | C33 | H58 | 109.5° | 109.5° |
| H59 | C34 | H60 | 109.5° | 109.5° |
| H61 | C35 | H62 | 109.5° | 109.5° |
| H63 | C36 | H64 | 109.5° | 109.4° |
| H65 | C37 | H66 | 109.5° | 109.5° |
| H67 | C38 | H68 | 109.5° | 109.5° |
| H69 | C39 | H70 | 109.5° | 109.5° |
| H71 | C3A | H72 | 109.5° | 109.5° |
| H73 | C3B | H74 | 109.4° | 109.5° |
| H73 | C3B | C4 | 111.6° | 109.5° |
| H74 | C3B | C4 | 111.6° | 109.5° |
| C3B | C4 | C5 | 90.0° | 109.4° |
| C3B | C4 | H75 | 90.0° | 109.5° |
| C3B | C4 | H76 | 90.0° | 109.5° |
| C4 | C5 | C6 | 90.0° | 109.5° |
| C5 | C4 | H75 | 90.0° | 109.4° |
| C5 | C4 | H76 | 90.0° | 109.5° |
| C4 | C5 | H77 | 90.0° | 109.5° |
| C4 | C5 | H78 | 90.0° | 109.5° |
| C5 | C6 | C7 | 90.0° | 109.5° |
| C6 | C5 | H77 | 90.0° | 109.5° |
| C6 | C5 | H78 | 90.0° | 109.5° |
| C5 | C6 | H79 | 90.0° | 109.5° |
| C5 | C6 | H80 | 90.0° | 109.5° |
| C6 | C7 | C8 | 90.0° | 109.5° |
| C7 | C6 | H79 | 90.0° | 109.4° |
| C7 | C6 | H80 | 90.0° | 109.5° |
| C6 | C7 | H81 | 90.0° | 109.5° |
| C6 | C7 | H82 | 90.0° | 109.5° |
| C7 | C8 | C9 | 90.0° | 109.5° |
| C8 | C7 | H81 | 90.0° | 109.4° |
| C8 | C7 | H82 | 90.0° | 109.4° |
| C7 | C8 | H83 | 90.0° | 109.5° |
| C7 | C8 | H84 | 90.0° | 109.5° |
| C8 | C9 | C10 | 90.0° | 109.4° |
| C9 | C8 | H83 | 90.0° | 109.5° |
| C9 | C8 | H84 | 90.0° | 109.5° |
| C8 | C9 | H85 | 90.0° | 109.4° |
| C8 | C9 | H86 | 90.0° | 109.5° |
| C10 | C9 | H85 | 90.0° | 109.5° |
| C10 | C9 | H86 | 90.0° | 109.5° |
| C9 | C10 | H87 | 90.0° | 109.5° |
| C9 | C10 | H88 | 90.0° | 109.5° |
| C9 | C10 | H89 | 90.0° | 109.5° |
| H75 | C4 | H76 | 90.0° | 109.5° |
| H77 | C5 | H78 | 90.0° | 109.4° |
| H79 | C6 | H80 | 90.0° | 109.5° |
| H81 | C7 | H82 | 90.0° | 109.5° |
| H83 | C8 | H84 | 90.0° | 109.4° |
| H85 | C9 | H86 | 90.0° | 109.5° |
| H87 | C10 | H88 | 90.0° | 109.5° |
| H87 | C10 | H89 | 90.0° | 109.5° |
| H88 | C10 | H89 | 90.0° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2I | C2H | C2G | H48 | 120.0° | 119.9° |
| C2I | C2H | C2G | H49 | 120.0° | 120.0° |
| C2I | C2H | C2G | C2F | 178.8° | 180.0° |
| C2I | C2H | C2G | H46 | 58.5° | 60.1° |
| C2I | C2H | C2G | H47 | 60.8° | 60.0° |
| C2I | C2H | H48 | H49 | 119.9° | 120.0° |
| C2H | C2I | H50 | H51 | 120.0° | 120.0° |
| C2H | C2I | H50 | H52 | 120.0° | 120.0° |
| C2H | C2I | H51 | H52 | 120.0° | 120.1° |
| C2H | C2G | C2F | H46 | 120.3° | 119.9° |
| C2H | C2G | C2F | H47 | 120.3° | 120.0° |
| C2H | C2G | C2F | C2E | 178.6° | 180.0° |
| C2H | C2G | C2F | H44 | 58.2° | 60.1° |
| C2H | C2G | C2F | H45 | 61.0° | 60.0° |
| C2H | C2G | H46 | H47 | 119.0° | 120.0° |
| C2G | C2H | H48 | H49 | 120.0° | 120.0° |
| C2G | C2H | C2I | H50 | 180.0° | 60.0° |
| C2G | C2H | C2I | H51 | 60.0° | 59.9° |
| C2G | C2H | C2I | H52 | 60.0° | 180.0° |
| C2G | C2F | C2E | H44 | 120.4° | 119.9° |
| C2G | C2F | C2E | H45 | 120.4° | 120.1° |
| C2G | C2F | C2E | C2D | 159.0° | 180.0° |
| C2G | C2F | C2E | H42 | 80.9° | 60.1° |
| C2G | C2F | C2E | H43 | 38.9° | 60.0° |
| C2G | C2F | H44 | H45 | 118.8° | 120.1° |
| C2F | C2G | H46 | H47 | 119.0° | 120.0° |
| C2F | C2G | C2H | H48 | 61.1° | 60.1° |
| C2F | C2G | C2H | H49 | 58.8° | 60.0° |
| C2F | C2E | C2D | H42 | 120.1° | 120.0° |
| C2F | C2E | C2D | H43 | 120.1° | 120.0° |
| C2F | C2E | C2D | C2C | 162.1° | 180.0° |
| C2F | C2E | C2D | H40 | 41.8° | 60.0° |
| C2F | C2E | C2D | H41 | 77.7° | 59.9° |
| C2F | C2E | H42 | H43 | 119.6° | 120.1° |
| C2E | C2F | H44 | H45 | 118.7° | 120.0° |
| C2E | C2F | C2G | H46 | 61.0° | 60.1° |
| C2E | C2F | C2G | H47 | 58.3° | 60.0° |
| C2E | C2D | C2C | H40 | 120.2° | 119.9° |
| C2E | C2D | C2C | H41 | 120.2° | 120.1° |
| C2E | C2D | C2C | C2B | 177.4° | 180.0° |
| C2E | C2D | C2C | H38 | 62.4° | 60.1° |
| C2E | C2D | C2C | H39 | 57.2° | 59.9° |
| C2E | C2D | H40 | H41 | 119.3° | 120.0° |
| C2D | C2E | H42 | H43 | 119.6° | 120.0° |
| C2D | C2E | C2F | H44 | 38.6° | 60.1° |
| C2D | C2E | C2F | H45 | 80.6° | 59.9° |
| C2D | C2C | C2B | H38 | 120.2° | 119.9° |
| C2D | C2C | C2B | H39 | 120.2° | 120.1° |
| C2D | C2C | C2B | C2A | 166.0° | 179.9° |
| C2D | C2C | C2B | H36 | 45.8° | 60.1° |
| C2D | C2C | C2B | H37 | 73.8° | 60.0° |
| C2D | C2C | H38 | H39 | 119.4° | 120.0° |
| C2C | C2D | H40 | H41 | 119.3° | 120.0° |
| C2C | C2D | C2E | H42 | 77.8° | 60.1° |
| C2C | C2D | C2E | H43 | 41.9° | 59.9° |
| C3B | C3A | C39 | H71 | 120.2° | 120.1° |
| C3B | C3A | C39 | H72 | 120.2° | 119.9° |
| C3B | C3A | C39 | C38 | 175.0° | 180.0° |
| C3B | C3A | C39 | H69 | 64.8° | 60.0° |
| C3B | C3A | C39 | H70 | 54.9° | 60.0° |
| C3B | C3A | H71 | H72 | 119.4° | 120.0° |
| C3A | C3B | H73 | H74 | 124.1° | 119.9° |
| C3A | C3B | H73 | C4 | 111.8° | 120.0° |
| C3A | C3B | H74 | C4 | 111.8° | 120.0° |
| C3A | C3B | C4 | C5 | 90.0° | 180.0° |
| C3A | C3B | C4 | H75 | 90.0° | 60.0° |
| C3A | C3B | C4 | H76 | 90.0° | 60.1° |
| C2C | C2B | C2A | H36 | 120.2° | 120.0° |
| C2C | C2B | C2A | H37 | 120.2° | 120.0° |
| C2C | C2B | C2A | C29 | 173.4° | 180.0° |
| C2C | C2B | C2A | H34 | 53.1° | 60.0° |
| C2C | C2B | C2A | H35 | 66.3° | 60.0° |
| C2C | C2B | H36 | H37 | 119.5° | 120.0° |
| C2B | C2C | H38 | H39 | 119.4° | 120.0° |
| C2B | C2C | C2D | H40 | 57.2° | 60.1° |
| C2B | C2C | C2D | H41 | 62.4° | 59.9° |
| C3A | C39 | C38 | H69 | 120.1° | 120.0° |
| C3A | C39 | C38 | H70 | 120.2° | 120.0° |
| C3A | C39 | C38 | C37 | 176.4° | 180.0° |
| C3A | C39 | C38 | H67 | 55.9° | 60.0° |
| C3A | C39 | C38 | H68 | 63.1° | 60.0° |
| C3A | C39 | H69 | H70 | 119.5° | 120.0° |
| C39 | C3A | H71 | H72 | 119.4° | 120.0° |
| C39 | C3A | C3B | H73 | 84.7° | 60.0° |
| C39 | C3A | C3B | H74 | 38.1° | 60.0° |
| C39 | C3A | C3B | C4 | 156.7° | 180.0° |
| C2B | C2A | C29 | H34 | 120.3° | 120.1° |
| C2B | C2A | C29 | H35 | 120.3° | 120.0° |
| C2B | C2A | C29 | C28 | 106.2° | 180.0° |
| C2B | C2A | C29 | H32 | 133.6° | 60.0° |
| C2B | C2A | C29 | H33 | 14.0° | 60.0° |
| C2B | C2A | H34 | H35 | 119.0° | 120.0° |
| C2A | C2B | H36 | H37 | 119.4° | 120.0° |
| C2A | C2B | C2C | H38 | 73.8° | 60.0° |
| C2A | C2B | C2C | H39 | 45.7° | 60.0° |
| C39 | C38 | C37 | H67 | 120.5° | 120.0° |
| C39 | C38 | C37 | H68 | 120.5° | 120.0° |
| C39 | C38 | C37 | C36 | 175.6° | NaN° |
| C39 | C38 | C37 | H65 | 55.5° | 60.0° |
| C39 | C38 | C37 | H66 | 64.3° | 60.0° |
| C39 | C38 | H67 | H68 | 118.4° | 120.0° |
| C38 | C39 | H69 | H70 | 119.5° | 120.0° |
| C38 | C39 | C3A | H71 | 54.8° | 60.0° |
| C38 | C39 | C3A | H72 | 64.7° | 60.0° |
| C2A | C29 | C28 | H32 | 120.2° | 120.0° |
| C2A | C29 | C28 | H33 | 120.2° | 120.0° |
| C2A | C29 | C28 | C27 | 164.8° | 180.0° |
| C2A | C29 | C28 | H30 | 44.9° | 59.9° |
| C2A | C29 | C28 | H31 | 75.4° | 60.0° |
| C2A | C29 | H32 | H33 | 119.4° | 120.0° |
| C29 | C2A | H34 | H35 | 119.0° | 120.0° |
| C29 | C2A | C2B | H36 | 66.4° | 60.0° |
| C29 | C2A | C2B | H37 | 53.2° | 60.0° |
| C38 | C37 | C36 | H65 | 120.1° | 120.0° |
| C38 | C37 | C36 | H66 | 120.1° | 120.0° |
| C38 | C37 | C36 | C35 | 167.7° | 180.0° |
| C38 | C37 | C36 | H63 | 47.4° | 60.0° |
| C38 | C37 | C36 | H64 | 72.0° | 60.0° |
| C38 | C37 | H65 | H66 | 119.8° | 119.9° |
| C37 | C38 | H67 | H68 | 118.5° | 120.0° |
| C37 | C38 | C39 | H69 | 63.5° | 60.0° |
| C37 | C38 | C39 | H70 | 56.2° | 60.0° |
| C29 | C28 | C27 | H30 | 119.8° | 120.0° |
| C29 | C28 | C27 | H31 | 119.8° | 119.9° |
| C29 | C28 | C27 | C26 | 179.4° | 180.0° |
| C29 | C28 | C27 | H28 | 59.0° | 60.0° |
| C29 | C28 | C27 | H29 | 60.3° | 60.0° |
| C29 | C28 | H30 | H31 | 120.4° | 119.9° |
| C28 | C29 | H32 | H33 | 119.4° | 120.0° |
| C28 | C29 | C2A | H34 | 14.2° | 59.9° |
| C28 | C29 | C2A | H35 | 133.5° | 60.0° |
| C37 | C36 | C35 | H63 | 120.3° | 120.0° |
| C37 | C36 | C35 | H64 | 120.3° | 120.0° |
| C37 | C36 | C35 | C34 | 177.8° | 180.0° |
| C37 | C36 | C35 | H61 | 57.5° | 60.0° |
| C37 | C36 | C35 | H62 | 61.9° | 60.0° |
| C37 | C36 | H63 | H64 | 119.0° | 120.0° |
| C36 | C37 | H65 | H66 | 119.8° | 120.1° |
| C36 | C37 | C38 | H67 | 63.9° | 60.0° |
| C36 | C37 | C38 | H68 | 55.1° | 60.0° |
| C28 | C27 | C26 | H28 | 120.4° | 120.0° |
| C28 | C27 | C26 | H29 | 120.3° | 120.0° |
| C28 | C27 | C26 | C25 | 175.8° | 180.0° |
| C28 | C27 | C26 | H26 | 64.1° | 59.9° |
| C28 | C27 | C26 | H27 | 55.8° | 60.0° |
| C28 | C27 | H28 | H29 | 119.0° | 120.1° |
| C27 | C28 | H30 | H31 | 120.4° | 120.1° |
| C27 | C28 | C29 | H32 | 75.0° | 60.0° |
| C27 | C28 | C29 | H33 | 44.6° | 60.0° |
| C36 | C35 | C34 | H61 | 120.3° | 120.0° |
| C36 | C35 | C34 | H62 | 120.3° | 120.0° |
| C36 | C35 | C34 | C33 | 169.3° | 180.0° |
| C36 | C35 | C34 | H59 | 49.1° | 60.0° |
| C36 | C35 | C34 | H60 | 70.5° | 60.0° |
| C36 | C35 | H61 | H62 | 119.1° | 120.0° |
| C35 | C36 | H63 | H64 | 119.0° | 120.1° |
| C35 | C36 | C37 | H65 | 72.2° | 60.0° |
| C35 | C36 | C37 | H66 | 47.6° | 60.0° |
| C27 | C26 | C25 | H26 | 120.1° | 120.0° |
| C27 | C26 | C25 | H27 | 120.1° | 120.0° |
| C27 | C26 | C25 | C24 | 175.9° | 180.0° |
| C27 | C26 | C25 | H24 | 55.8° | 60.1° |
| C27 | C26 | C25 | H25 | 64.0° | 60.1° |
| C27 | C26 | H26 | H27 | 119.7° | 119.9° |
| C26 | C27 | H28 | H29 | 118.9° | 120.0° |
| C26 | C27 | C28 | H30 | 60.8° | 60.0° |
| C26 | C27 | C28 | H31 | 59.5° | 60.1° |
| C35 | C34 | C33 | H59 | 120.2° | 119.9° |
| C35 | C34 | C33 | H60 | 120.2° | 120.0° |
| C35 | C34 | C33 | C32 | 166.7° | 180.0° |
| C35 | C34 | C33 | H57 | 46.5° | 60.0° |
| C35 | C34 | C33 | H58 | 73.2° | 60.0° |
| C35 | C34 | H59 | H60 | 119.4° | 120.0° |
| C34 | C35 | H61 | H62 | 119.1° | 120.0° |
| C34 | C35 | C36 | H63 | 61.8° | 60.0° |
| C34 | C35 | C36 | H64 | 57.5° | 60.0° |
| C26 | C25 | C24 | H24 | 120.1° | 120.0° |
| C26 | C25 | C24 | H25 | 120.1° | 120.0° |
| C26 | C25 | C24 | C23 | 173.3° | 180.0° |
| C26 | C25 | C24 | H22 | 53.2° | 60.0° |
| C26 | C25 | C24 | H23 | 66.6° | 60.0° |
| C26 | C25 | H24 | H25 | 119.7° | 120.1° |
| C25 | C26 | H26 | H27 | 119.7° | 120.0° |
| C25 | C26 | C27 | H28 | 55.5° | 60.0° |
| C25 | C26 | C27 | H29 | 63.8° | 60.0° |
| C34 | C33 | C32 | H57 | 120.2° | 120.0° |
| C34 | C33 | C32 | H58 | 120.1° | 120.0° |
| C34 | C33 | C32 | C31 | 164.8° | 180.0° |
| C34 | C33 | C32 | H55 | 44.7° | 60.0° |
| C34 | C33 | C32 | H56 | 75.1° | 60.0° |
| C34 | C33 | H57 | H58 | 119.6° | 120.1° |
| C33 | C34 | H59 | H60 | 119.3° | 120.1° |
| C33 | C34 | C35 | H61 | 70.4° | 60.0° |
| C33 | C34 | C35 | H62 | 49.1° | 60.0° |
| C25 | C24 | C23 | H22 | 120.1° | 120.1° |
| C25 | C24 | C23 | H23 | 120.1° | 120.0° |
| C25 | C24 | C23 | C22 | 119.6° | 180.0° |
| C25 | C24 | C23 | H20 | 120.7° | 60.0° |
| C25 | C24 | C23 | H21 | 0.1° | 60.0° |
| C25 | C24 | H22 | H23 | 119.7° | 120.0° |
| C24 | C25 | H24 | H25 | 119.7° | 119.9° |
| C24 | C25 | C26 | H26 | 64.0° | 60.0° |
| C24 | C25 | C26 | H27 | 55.8° | 60.0° |
| C33 | C32 | C31 | H55 | 120.1° | 120.0° |
| C33 | C32 | C31 | H56 | 120.1° | 120.1° |
| C33 | C32 | C31 | O32 | 74.7° | 5.2° |
| C33 | C32 | C31 | O31 | 106.2° | 174.7° |
| C33 | C32 | H55 | H56 | 119.8° | 120.0° |
| C32 | C33 | H57 | H58 | 119.6° | 120.0° |
| C32 | C33 | C34 | H59 | 73.1° | 60.0° |
| C32 | C33 | C34 | H60 | 46.5° | 60.0° |
| C24 | C23 | C22 | H20 | 119.7° | 120.0° |
| C24 | C23 | C22 | H21 | 119.7° | 120.0° |
| C24 | C23 | C22 | C21 | 174.9° | 180.0° |
| C24 | C23 | C22 | H18 | 64.7° | 60.0° |
| C24 | C23 | C22 | H19 | 54.4° | 60.0° |
| C24 | C23 | H20 | H21 | 121.0° | 120.0° |
| C23 | C24 | H22 | H23 | 119.7° | 120.0° |
| C23 | C24 | C25 | H24 | 66.6° | 60.0° |
| C23 | C24 | C25 | H25 | 53.2° | 60.0° |
| C32 | C31 | O32 | O31 | 179.1° | 179.9° |
| C32 | C31 | O31 | C3 | 178.7° | 174.9° |
| C31 | C32 | H55 | H56 | 119.8° | 119.9° |
| C31 | C32 | C33 | H57 | 75.1° | 60.0° |
| C31 | C32 | C33 | H58 | 44.7° | 60.0° |
| C23 | C22 | C21 | H18 | 120.4° | 120.0° |
| C23 | C22 | C21 | H19 | 120.4° | 120.0° |
| C23 | C22 | C21 | O22 | 57.5° | 0.0° |
| C23 | C22 | C21 | O21 | 121.0° | 180.0° |
| C23 | C22 | H18 | H19 | 118.6° | 120.0° |
| C22 | C23 | H20 | H21 | 121.0° | 120.0° |
| C22 | C23 | C24 | H22 | 0.5° | 59.9° |
| C22 | C23 | C24 | H23 | 120.3° | 60.0° |
| C22 | C21 | O22 | O21 | 178.4° | 179.9° |
| C22 | C21 | O21 | C2 | 108.7° | 180.0° |
| C21 | C22 | H18 | H19 | 118.6° | 120.0° |
| C21 | C22 | C23 | H20 | 55.2° | 60.0° |
| C21 | C22 | C23 | H21 | 65.5° | 60.0° |
| O32 | C31 | O31 | C3 | 2.1° | 5.1° |
| O32 | C31 | C32 | H55 | 45.4° | 114.8° |
| O32 | C31 | C32 | H56 | 165.2° | 125.3° |
| C31 | O31 | C3 | C2 | 166.3° | 175.3° |
| C31 | O31 | C3 | H53 | 45.7° | 64.7° |
| C31 | O31 | C3 | H54 | 73.1° | 55.3° |
| O31 | C31 | C32 | H55 | 133.7° | 65.3° |
| O31 | C31 | C32 | H56 | 13.9° | 54.6° |
| C15 | N | C14 | C13 | 115.8° | 120.1° |
| C15 | N | C14 | C12 | 124.7° | 119.9° |
| C15 | N | C13 | C12 | 123.5° | 120.0° |
| C15 | N | C12 | C11 | 47.7° | 57.2° |
| C15 | N | C12 | H4 | 73.4° | 177.2° |
| C15 | N | C12 | H5 | 168.7° | 62.8° |
| C15 | N | C13 | H6 | 180.0° | 180.0° |
| C15 | N | C13 | H7 | 60.0° | 60.1° |
| C15 | N | C13 | H8 | 60.0° | 60.0° |
| C15 | N | C14 | H9 | 180.0° | 59.9° |
| C15 | N | C14 | H10 | 60.0° | 60.0° |
| C15 | N | C14 | H11 | 60.0° | 179.9° |
| N | C15 | H12 | H13 | 120.0° | 119.9° |
| N | C15 | H12 | H14 | 120.0° | 120.1° |
| N | C15 | H13 | H14 | 120.0° | 120.0° |
| O31 | C3 | C2 | H53 | 120.6° | 120.0° |
| O31 | C3 | C2 | H54 | 120.6° | 120.1° |
| O31 | C3 | C2 | O21 | 2.1° | 63.8° |
| O31 | C3 | C2 | C1 | 132.1° | 56.2° |
| O31 | C3 | C2 | H17 | 114.5° | 176.2° |
| O31 | C3 | H53 | H54 | 118.3° | 120.0° |
| O22 | C21 | O21 | C2 | 72.7° | 0.1° |
| O22 | C21 | C22 | H18 | 62.9° | 120.1° |
| O22 | C21 | C22 | H19 | 178.0° | 120.0° |
| C21 | O21 | C2 | C3 | 96.9° | 150.0° |
| C21 | O21 | C2 | C1 | 28.4° | 90.0° |
| C21 | O21 | C2 | H17 | 147.2° | 29.9° |
| O21 | C21 | C22 | H18 | 118.6° | 60.0° |
| O21 | C21 | C22 | H19 | 0.5° | 60.0° |
| C14 | N | C13 | C12 | 119.5° | 120.0° |
| C14 | N | C12 | C11 | 74.9° | 177.2° |
| C14 | N | C12 | H4 | 164.1° | 62.9° |
| C14 | N | C12 | H5 | 46.2° | 57.2° |
| C14 | N | C13 | H6 | 63.0° | 59.9° |
| C14 | N | C13 | H7 | 177.0° | 60.0° |
| C14 | N | C13 | H8 | 57.0° | 180.0° |
| N | C14 | H9 | H10 | 120.0° | 120.0° |
| N | C14 | H9 | H11 | 120.0° | 120.1° |
| N | C14 | H10 | H11 | 120.0° | 120.1° |
| C14 | N | C15 | H12 | 180.0° | 172.7° |
| C14 | N | C15 | H13 | 60.0° | 52.7° |
| C14 | N | C15 | H14 | 60.0° | 67.2° |
| C13 | N | C12 | C11 | 168.0° | 62.8° |
| C13 | N | C12 | H4 | 46.9° | 57.1° |
| C13 | N | C12 | H5 | 70.9° | 177.2° |
| N | C13 | H6 | H7 | 120.0° | 120.0° |
| N | C13 | H6 | H8 | 120.0° | 120.1° |
| N | C13 | H7 | H8 | 120.0° | 120.1° |
| C13 | N | C14 | H9 | 64.2° | 180.0° |
| C13 | N | C14 | H10 | 55.9° | 60.0° |
| C13 | N | C14 | H11 | 175.9° | 60.0° |
| C13 | N | C15 | H12 | 64.9° | 52.6° |
| C13 | N | C15 | H13 | 175.1° | 67.3° |
| C13 | N | C15 | H14 | 55.1° | 172.7° |
| N | C12 | C11 | H4 | 121.0° | 120.0° |
| N | C12 | C11 | H5 | 121.1° | 120.0° |
| N | C12 | C11 | O13 | 178.6° | 176.8° |
| N | C12 | C11 | H2 | 61.6° | 56.8° |
| N | C12 | C11 | H3 | 58.7° | 63.3° |
| N | C12 | H4 | H5 | 116.6° | 120.1° |
| C12 | N | C13 | H6 | 56.5° | 60.0° |
| C12 | N | C13 | H7 | 63.5° | 179.9° |
| C12 | N | C13 | H8 | 176.5° | 60.0° |
| C12 | N | C14 | H9 | 55.3° | 60.0° |
| C12 | N | C14 | H10 | 175.3° | 180.0° |
| C12 | N | C14 | H11 | 64.7° | 60.0° |
| C12 | N | C15 | H12 | 56.9° | 67.4° |
| C12 | N | C15 | H13 | 63.1° | 172.7° |
| C12 | N | C15 | H14 | 176.9° | 52.7° |
| C3 | C2 | O21 | C1 | 125.3° | 120.0° |
| C3 | C2 | O21 | H17 | 115.9° | 120.0° |
| C3 | C2 | C1 | H17 | 113.4° | 120.0° |
| C3 | C2 | C1 | O11 | 137.6° | 56.0° |
| C3 | C2 | C1 | H15 | 102.6° | 176.0° |
| C3 | C2 | C1 | H16 | 17.8° | 64.0° |
| C2 | C3 | H53 | H54 | 118.3° | 120.0° |
| O21 | C2 | C1 | H17 | 119.4° | 119.9° |
| O21 | C2 | C1 | O11 | 95.3° | 64.0° |
| O21 | C2 | C1 | H15 | 24.5° | 56.0° |
| O21 | C2 | C1 | H16 | 144.9° | 176.0° |
| O21 | C2 | C3 | H53 | 118.4° | 56.2° |
| O21 | C2 | C3 | H54 | 122.7° | 176.1° |
| C2 | C1 | O11 | H15 | 119.8° | 120.0° |
| C2 | C1 | O11 | H16 | 119.8° | 120.0° |
| C2 | C1 | O11 | P | 132.8° | 175.0° |
| C2 | C1 | H15 | H16 | 120.5° | 120.0° |
| C1 | C2 | C3 | H53 | 11.5° | 176.2° |
| C1 | C2 | C3 | H54 | 107.3° | 63.9° |
| C1 | O11 | P | O12 | 14.1° | 55.4° |
| C1 | O11 | P | O13 | 94.6° | 175.4° |
| C1 | O11 | P | O14 | 155.7° | 64.7° |
| O11 | C1 | H15 | H16 | 120.5° | 120.0° |
| O11 | C1 | C2 | H17 | 24.2° | 176.0° |
| C12 | C11 | O13 | H2 | 119.9° | 120.0° |
| C12 | C11 | O13 | H3 | 119.8° | 120.0° |
| C12 | C11 | O13 | P | 159.8° | 175.1° |
| C12 | C11 | H2 | H3 | 120.5° | 120.0° |
| C11 | C12 | H4 | H5 | 116.7° | 119.9° |
| C11 | O13 | P | O11 | 58.4° | 175.5° |
| C11 | O13 | P | O12 | 53.8° | 55.4° |
| C11 | O13 | P | O14 | 165.1° | 64.6° |
| O13 | C11 | H2 | H3 | 120.5° | 120.0° |
| O13 | C11 | C12 | H4 | 57.5° | 63.2° |
| O13 | C11 | C12 | H5 | 60.4° | 56.7° |
| O11 | P | O12 | O13 | 110.6° | 120.0° |
| O11 | P | O12 | O14 | 124.4° | 120.1° |
| O11 | P | O13 | O14 | 106.7° | 120.0° |
| O11 | P | O14 | H1 | 126.5° | 59.9° |
| P | O11 | C1 | H15 | 107.4° | 55.0° |
| P | O11 | C1 | H16 | 13.0° | 65.0° |
| O12 | P | O13 | O14 | 141.1° | 120.0° |
| O12 | P | O14 | H1 | 0.0° | 180.0° |
| O13 | P | O14 | H1 | 123.9° | 60.1° |
| P | O13 | C11 | H2 | 80.4° | 55.1° |
| P | O13 | C11 | H3 | 39.9° | 65.0° |
| H2 | C11 | C12 | H4 | 177.4° | 176.8° |
| H2 | C11 | C12 | H5 | 59.5° | 63.2° |
| H3 | C11 | C12 | H4 | 62.3° | 56.8° |
| H3 | C11 | C12 | H5 | 179.8° | 176.7° |
| H6 | C13 | H7 | H8 | 120.0° | 120.0° |
| H9 | C14 | H10 | H11 | 120.0° | 120.0° |
| H12 | C15 | H13 | H14 | 119.9° | 120.0° |
| H15 | C1 | C2 | H17 | 144.0° | 64.0° |
| H16 | C1 | C2 | H17 | 95.6° | 56.0° |
| H17 | C2 | C3 | H53 | 124.9° | 63.8° |
| H17 | C2 | C3 | H54 | 6.1° | 56.1° |
| H18 | C22 | C23 | H20 | 175.7° | 180.0° |
| H18 | C22 | C23 | H21 | 55.0° | 60.0° |
| H19 | C22 | C23 | H20 | 65.2° | 60.0° |
| H19 | C22 | C23 | H21 | 174.1° | NaN° |
| H20 | C23 | C24 | H22 | 119.2° | 180.0° |
| H20 | C23 | C24 | H23 | 0.6° | 60.0° |
| H21 | C23 | C24 | H22 | 120.2° | 60.0° |
| H21 | C23 | C24 | H23 | 120.0° | 180.0° |
| H22 | C24 | C25 | H24 | 173.3° | 180.0° |
| H22 | C24 | C25 | H25 | 66.9° | 60.0° |
| H23 | C24 | C25 | H24 | 53.5° | 60.0° |
| H23 | C24 | C25 | H25 | 173.3° | 180.0° |
| H24 | C25 | C26 | H26 | 175.9° | 180.0° |
| H24 | C25 | C26 | H27 | 64.3° | 60.0° |
| H25 | C25 | C26 | H26 | 56.1° | 59.9° |
| H25 | C25 | C26 | H27 | 175.9° | 179.9° |
| H26 | C26 | C27 | H28 | 175.6° | 180.0° |
| H26 | C26 | C27 | H29 | 56.3° | 60.1° |
| H27 | C26 | C27 | H28 | 64.6° | 60.0° |
| H27 | C26 | C27 | H29 | 176.1° | NaN° |
| H28 | C27 | C28 | H30 | 178.9° | 180.0° |
| H28 | C27 | C28 | H31 | 60.8° | 59.9° |
| H29 | C27 | C28 | H30 | 59.6° | 60.0° |
| H29 | C27 | C28 | H31 | 179.9° | 179.9° |
| H30 | C28 | C29 | H32 | 165.1° | 179.9° |
| H30 | C28 | C29 | H33 | 75.3° | 60.0° |
| H31 | C28 | C29 | H32 | 44.8° | 60.0° |
| H31 | C28 | C29 | H33 | 164.4° | 180.0° |
| H32 | C29 | C2A | H34 | 106.1° | 180.0° |
| H32 | C29 | C2A | H35 | 13.3° | 60.0° |
| H33 | C29 | C2A | H34 | 134.3° | 60.0° |
| H33 | C29 | C2A | H35 | 106.3° | 180.0° |
| H34 | C2A | C2B | H36 | 173.3° | 180.0° |
| H34 | C2A | C2B | H37 | 67.1° | 60.0° |
| H35 | C2A | C2B | H36 | 53.9° | 60.0° |
| H35 | C2A | C2B | H37 | 173.5° | 180.0° |
| H36 | C2B | C2C | H38 | 166.0° | 180.0° |
| H36 | C2B | C2C | H39 | 74.4° | 60.0° |
| H37 | C2B | C2C | H38 | 46.4° | 60.0° |
| H37 | C2B | C2C | H39 | 165.9° | 180.0° |
| H38 | C2C | C2D | H40 | 177.4° | 180.0° |
| H38 | C2C | C2D | H41 | 57.8° | 60.0° |
| H39 | C2C | C2D | H40 | 63.1° | 60.0° |
| H39 | C2C | C2D | H41 | 177.4° | 180.0° |
| H40 | C2D | C2E | H42 | 161.9° | NaN° |
| H40 | C2D | C2E | H43 | 78.3° | 60.0° |
| H41 | C2D | C2E | H42 | 42.4° | 60.0° |
| H41 | C2D | C2E | H43 | 162.2° | 180.0° |
| H42 | C2E | C2F | H44 | 158.7° | 180.0° |
| H42 | C2E | C2F | H45 | 39.5° | 60.0° |
| H43 | C2E | C2F | H44 | 81.6° | 60.0° |
| H43 | C2E | C2F | H45 | 159.3° | 179.9° |
| H44 | C2F | C2G | H46 | 178.5° | NaN° |
| H44 | C2F | C2G | H47 | 62.1° | 59.9° |
| H45 | C2F | C2G | H46 | 59.4° | 59.9° |
| H45 | C2F | C2G | H47 | 178.7° | 180.0° |
| H46 | C2G | C2H | H48 | 178.5° | NaN° |
| H46 | C2G | C2H | H49 | 61.5° | 60.0° |
| H47 | C2G | C2H | H48 | 59.2° | 60.0° |
| H47 | C2G | C2H | H49 | 179.2° | 180.0° |
| H48 | C2H | C2I | H50 | 60.0° | 180.0° |
| H48 | C2H | C2I | H51 | 60.0° | 60.0° |
| H48 | C2H | C2I | H52 | 180.0° | 60.1° |
| H49 | C2H | C2I | H50 | 60.0° | 60.0° |
| H49 | C2H | C2I | H51 | 180.0° | 180.0° |
| H49 | C2H | C2I | H52 | 60.0° | 60.0° |
| H50 | C2I | H51 | H52 | 120.0° | 120.0° |
| H55 | C32 | C33 | H57 | 164.9° | 180.0° |
| H55 | C32 | C33 | H58 | 75.4° | 60.0° |
| H56 | C32 | C33 | H57 | 45.0° | 60.0° |
| H56 | C32 | C33 | H58 | 164.7° | 180.0° |
| H57 | C33 | C34 | H59 | 166.8° | 180.0° |
| H57 | C33 | C34 | H60 | 73.7° | 60.0° |
| H58 | C33 | C34 | H59 | 47.0° | 59.9° |
| H58 | C33 | C34 | H60 | 166.6° | 180.0° |
| H59 | C34 | C35 | H61 | 169.4° | 180.0° |
| H59 | C34 | C35 | H62 | 71.2° | 60.0° |
| H60 | C34 | C35 | H61 | 49.8° | 60.0° |
| H60 | C34 | C35 | H62 | 169.2° | 180.0° |
| H61 | C35 | C36 | H63 | 177.9° | 180.0° |
| H61 | C35 | C36 | H64 | 62.8° | 60.0° |
| H62 | C35 | C36 | H63 | 58.4° | 60.0° |
| H62 | C35 | C36 | H64 | 177.8° | 180.0° |
| H63 | C36 | C37 | H65 | 167.5° | 180.0° |
| H63 | C36 | C37 | H66 | 72.7° | 60.0° |
| H64 | C36 | C37 | H65 | 48.1° | 60.0° |
| H64 | C36 | C37 | H66 | 168.0° | 179.9° |
| H65 | C37 | C38 | H67 | 176.0° | 180.0° |
| H65 | C37 | C38 | H68 | 65.0° | 60.0° |
| H66 | C37 | C38 | H67 | 56.1° | 60.0° |
| H66 | C37 | C38 | H68 | 175.1° | 180.0° |
| H67 | C38 | C39 | H69 | 176.0° | 180.0° |
| H67 | C38 | C39 | H70 | 64.3° | 60.0° |
| H68 | C38 | C39 | H69 | 57.0° | 60.0° |
| H68 | C38 | C39 | H70 | 176.7° | 180.0° |
| H69 | C39 | C3A | H71 | 175.0° | 179.9° |
| H69 | C39 | C3A | H72 | 55.4° | 60.0° |
| H70 | C39 | C3A | H71 | 65.4° | 60.0° |
| H70 | C39 | C3A | H72 | 175.1° | 180.0° |
| H71 | C3A | C3B | H73 | 35.5° | 180.0° |
| H71 | C3A | C3B | H74 | 158.3° | 60.0° |
| H71 | C3A | C3B | C4 | 83.1° | 60.0° |
| H72 | C3A | C3B | H73 | 155.0° | 60.0° |
| H72 | C3A | C3B | H74 | 82.1° | 180.0° |
| H72 | C3A | C3B | C4 | 36.4° | 60.0° |
| H73 | C3B | H74 | C4 | 124.1° | 120.1° |
| H73 | C3B | C4 | C5 | 90.0° | 60.0° |
| H73 | C3B | C4 | H75 | 90.0° | 180.0° |
| H73 | C3B | C4 | H76 | 90.0° | 60.0° |
| H74 | C3B | C4 | C5 | 90.0° | 60.0° |
| H74 | C3B | C4 | H75 | 90.0° | 59.9° |
| H74 | C3B | C4 | H76 | 90.0° | 180.0° |
| C3B | C4 | C5 | H75 | 90.0° | 120.0° |
| C3B | C4 | C5 | H76 | 90.0° | 120.0° |
| C3B | C4 | C5 | C6 | 90.0° | 180.0° |
| C3B | C4 | H75 | H76 | 90.0° | 120.1° |
| C3B | C4 | C5 | H77 | 90.0° | 60.0° |
| C3B | C4 | C5 | H78 | 90.0° | 60.0° |
| C4 | C5 | C6 | H77 | 90.0° | 120.0° |
| C4 | C5 | C6 | H78 | 90.0° | 120.1° |
| C4 | C5 | C6 | C7 | 90.0° | 180.0° |
| C5 | C4 | H75 | H76 | 90.0° | 120.0° |
| C4 | C5 | H77 | H78 | 90.0° | 120.0° |
| C4 | C5 | C6 | H79 | 90.0° | 60.0° |
| C4 | C5 | C6 | H80 | 90.0° | 60.0° |
| C5 | C6 | C7 | H79 | 90.0° | 120.0° |
| C5 | C6 | C7 | H80 | 90.0° | 120.0° |
| C5 | C6 | C7 | C8 | 90.0° | 180.0° |
| C6 | C5 | C4 | H75 | 90.0° | 60.0° |
| C6 | C5 | C4 | H76 | 90.0° | 60.0° |
| C6 | C5 | H77 | H78 | 90.0° | 119.9° |
| C5 | C6 | H79 | H80 | 90.0° | 120.0° |
| C5 | C6 | C7 | H81 | 90.0° | 60.0° |
| C5 | C6 | C7 | H82 | 90.0° | 60.0° |
| C6 | C7 | C8 | H81 | 90.0° | 120.0° |
| C6 | C7 | C8 | H82 | 90.0° | 120.0° |
| C6 | C7 | C8 | C9 | 90.0° | 180.0° |
| C7 | C6 | C5 | H77 | 90.0° | 60.0° |
| C7 | C6 | C5 | H78 | 90.0° | 59.9° |
| C7 | C6 | H79 | H80 | 90.0° | 120.0° |
| C6 | C7 | H81 | H82 | 90.0° | 120.1° |
| C6 | C7 | C8 | H83 | 90.0° | 59.9° |
| C6 | C7 | C8 | H84 | 90.0° | 59.9° |
| C7 | C8 | C9 | H83 | 90.0° | 120.1° |
| C7 | C8 | C9 | H84 | 90.0° | 120.0° |
| C7 | C8 | C9 | C10 | 90.0° | 180.0° |
| C8 | C7 | C6 | H79 | 90.0° | 60.0° |
| C8 | C7 | C6 | H80 | 90.0° | 60.0° |
| C8 | C7 | H81 | H82 | 90.0° | 119.9° |
| C7 | C8 | H83 | H84 | 90.0° | 119.9° |
| C7 | C8 | C9 | H85 | 90.0° | 60.0° |
| C7 | C8 | C9 | H86 | 90.0° | 60.0° |
| C8 | C9 | C10 | H85 | 90.0° | 120.0° |
| C8 | C9 | C10 | H86 | 90.0° | 120.0° |
| C9 | C8 | C7 | H81 | 90.0° | 60.0° |
| C9 | C8 | C7 | H82 | 90.0° | 60.0° |
| C9 | C8 | H83 | H84 | 90.0° | 120.0° |
| C8 | C9 | H85 | H86 | 90.0° | 120.0° |
| C8 | C9 | C10 | H87 | 90.0° | 60.0° |
| C8 | C9 | C10 | H88 | 90.0° | 60.0° |
| C8 | C9 | C10 | H89 | 90.0° | 180.0° |
| C10 | C9 | C8 | H83 | 90.0° | 60.0° |
| C10 | C9 | C8 | H84 | 90.0° | 60.0° |
| C10 | C9 | H85 | H86 | 90.0° | 120.1° |
| C9 | C10 | H87 | H88 | 90.0° | 120.1° |
| C9 | C10 | H87 | H89 | 90.0° | 120.0° |
| C9 | C10 | H88 | H89 | 90.0° | 120.0° |
| H75 | C4 | C5 | H77 | 90.0° | 180.0° |
| H75 | C4 | C5 | H78 | 90.0° | 60.0° |
| H76 | C4 | C5 | H77 | 90.0° | 60.0° |
| H76 | C4 | C5 | H78 | 90.0° | 180.0° |
| H77 | C5 | C6 | H79 | 90.0° | 179.9° |
| H77 | C5 | C6 | H80 | 90.0° | 60.0° |
| H78 | C5 | C6 | H79 | 90.0° | 60.0° |
| H78 | C5 | C6 | H80 | 90.0° | 179.9° |
| H79 | C6 | C7 | H81 | 90.0° | 180.0° |
| H79 | C6 | C7 | H82 | 90.0° | 60.0° |
| H80 | C6 | C7 | H81 | 90.0° | 60.0° |
| H80 | C6 | C7 | H82 | 90.0° | 180.0° |
| H81 | C7 | C8 | H83 | 90.0° | 180.0° |
| H81 | C7 | C8 | H84 | 90.0° | 60.1° |
| H82 | C7 | C8 | H83 | 90.0° | 60.1° |
| H82 | C7 | C8 | H84 | 90.0° | 180.0° |
| H83 | C8 | C9 | H85 | 90.0° | 179.9° |
| H83 | C8 | C9 | H86 | 90.0° | 60.1° |
| H84 | C8 | C9 | H85 | 90.0° | 60.0° |
| H84 | C8 | C9 | H86 | 90.0° | 180.0° |
| H85 | C9 | C10 | H87 | 90.0° | 180.0° |
| H85 | C9 | C10 | H88 | 90.0° | 59.9° |
| H85 | C9 | C10 | H89 | 90.0° | 60.0° |
| H86 | C9 | C10 | H87 | 90.0° | 60.0° |
| H86 | C9 | C10 | H88 | 90.0° | 180.0° |
| H86 | C9 | C10 | H89 | 90.0° | 60.1° |
| H87 | C10 | H88 | H89 | 90.0° | 120.0° |
