A1LYA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | N | sing | 1.47Å | 1.44Å | |
| O22 | C21 | doub | 1.21Å | 1.19Å | |
| C14 | N | sing | 1.47Å | 1.46Å | |
| N | C15 | sing | 1.47Å | 1.46Å | |
| N | C12 | sing | 1.47Å | 1.48Å | |
| C21 | C22 | sing | 1.51Å | 1.51Å | |
| C21 | O21 | sing | 1.34Å | 1.37Å | |
| C11 | C12 | sing | 1.53Å | 1.56Å | |
| C11 | O13 | sing | 1.43Å | 1.42Å | |
| C22 | C23 | sing | 1.53Å | 1.52Å | |
| C2 | C3 | sing | 1.53Å | 1.55Å | |
| C2 | O21 | sing | 1.45Å | 1.38Å | |
| C2 | C1 | sing | 1.53Å | 1.55Å | |
| C3 | O31 | sing | 1.45Å | 1.41Å | |
| C23 | C24 | sing | 1.53Å | 1.54Å | |
| O11 | C1 | sing | 1.43Å | 1.43Å | |
| O11 | P | sing | 1.61Å | 1.68Å | |
| O13 | P | sing | 1.61Å | 1.68Å | |
| O31 | C31 | sing | 1.34Å | 1.42Å | |
| P | O14 | doub | 1.55Å | 1.50Å | |
| P | O12 | sing | 1.54Å | 1.51Å | |
| C24 | C25 | sing | 1.53Å | 1.55Å | |
| C25 | C26 | sing | 1.53Å | 1.57Å | |
| C31 | O32 | doub | 1.21Å | 1.19Å | |
| C31 | C32 | sing | 1.51Å | 1.54Å | |
| C26 | C27 | sing | 1.53Å | 1.56Å | |
| C32 | C33 | sing | 1.53Å | 1.54Å | |
| C27 | C28 | sing | 1.53Å | 1.56Å | |
| C33 | C34 | sing | 1.53Å | 1.54Å | |
| C34 | C35 | sing | 1.53Å | 1.53Å | |
| C28 | C29 | sing | 1.53Å | 1.56Å | |
| C35 | C36 | sing | 1.53Å | 1.54Å | |
| C29 | C2A | sing | 1.53Å | 1.55Å | |
| C36 | C37 | sing | 1.53Å | 1.52Å | |
| C2A | C2B | sing | 1.53Å | 1.55Å | |
| C37 | C38 | sing | 1.53Å | 1.53Å | |
| C2C | C2B | sing | 1.53Å | 1.55Å | |
| C2C | C2D | sing | 1.53Å | 1.55Å | |
| C38 | C39 | sing | 1.51Å | 1.53Å | |
| C2D | C2E | sing | 1.53Å | 1.56Å | |
| C2F | C2E | sing | 1.53Å | 1.55Å | |
| C2F | C2G | sing | 1.53Å | 1.54Å | |
| C39 | C3A | doub | 1.31Å | 1.32Å | |
| C2G | C2H | sing | 1.53Å | 1.54Å | |
| C3A | C3B | sing | 1.51Å | 1.53Å | |
| C3B | C3C | sing | 1.53Å | 1.54Å | |
| C3C | C3D | sing | 1.53Å | 1.55Å | |
| C2H | C2I | sing | 1.53Å | 1.53Å | |
| C3E | C3D | sing | 1.53Å | 1.55Å | |
| C3E | C3F | sing | 1.53Å | 1.55Å | |
| C3G | C3F | sing | 1.53Å | 1.54Å | |
| 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 | 1.08Å | 1.08Å | |
| C3A | H70 | sing | 1.08Å | 1.08Å | |
| C3B | H71 | sing | 1.09Å | 1.10Å | |
| C3B | H72 | sing | 1.09Å | 1.10Å | |
| C3C | H73 | sing | 1.09Å | 1.10Å | |
| C3C | H74 | sing | 1.09Å | 1.10Å | |
| C3D | H75 | sing | 1.09Å | 1.10Å | |
| C3D | H76 | sing | 1.09Å | 1.10Å | |
| C3E | H77 | sing | 1.09Å | 1.10Å | |
| C3E | H78 | sing | 1.09Å | 1.10Å | |
| C3F | H79 | sing | 1.09Å | 1.10Å | |
| C3F | H80 | sing | 1.09Å | 1.10Å | |
| C3G | H81 | sing | 1.09Å | 1.10Å | |
| C3G | H82 | sing | 1.09Å | 1.10Å | |
| C3G | H83 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | N | C14 | 109.7° | 109.5° |
| C13 | N | C15 | 109.1° | 109.4° |
| C13 | N | C12 | 109.9° | 109.5° |
| N | C13 | H6 | 109.5° | 109.5° |
| N | C13 | H7 | 109.5° | 109.5° |
| N | C13 | H8 | 109.5° | 109.5° |
| O22 | C21 | C22 | 120.3° | 119.9° |
| O22 | C21 | O21 | 120.2° | 120.1° |
| C14 | N | C15 | 109.4° | 109.5° |
| C14 | N | C12 | 109.7° | 109.5° |
| N | C14 | H9 | 109.5° | 109.5° |
| N | C14 | H10 | 109.5° | 109.5° |
| N | C14 | H11 | 109.5° | 109.4° |
| C15 | N | C12 | 109.1° | 109.5° |
| N | C15 | H12 | 109.5° | 109.5° |
| N | C15 | H13 | 109.5° | 109.5° |
| N | C15 | H14 | 109.5° | 109.5° |
| N | C12 | C11 | 111.4° | 109.5° |
| N | C12 | H4 | 109.0° | 109.5° |
| N | C12 | H5 | 109.0° | 109.5° |
| C22 | C21 | O21 | 119.6° | 120.0° |
| C21 | C22 | C23 | 112.5° | 109.5° |
| C21 | C22 | H18 | 108.7° | 109.5° |
| C21 | C22 | H19 | 108.7° | 109.4° |
| C21 | O21 | C2 | 113.8° | 117.0° |
| C12 | C11 | O13 | 108.2° | 109.4° |
| C12 | C11 | H2 | 109.8° | 109.4° |
| C12 | C11 | H3 | 109.8° | 109.5° |
| C11 | C12 | H4 | 109.0° | 109.5° |
| C11 | C12 | H5 | 109.0° | 109.5° |
| C11 | O13 | P | 117.8° | 123.0° |
| O13 | C11 | H2 | 109.8° | 109.5° |
| O13 | C11 | H3 | 109.8° | 109.5° |
| C22 | C23 | C24 | 112.9° | 109.5° |
| C23 | C22 | H18 | 108.7° | 109.5° |
| C23 | C22 | H19 | 108.7° | 109.5° |
| C22 | C23 | H20 | 108.6° | 109.5° |
| C22 | C23 | H21 | 108.6° | 109.5° |
| C3 | C2 | O21 | 107.0° | 109.5° |
| C3 | C2 | C1 | 113.2° | 109.4° |
| C2 | C3 | O31 | 107.1° | 109.5° |
| C3 | C2 | H17 | 109.0° | 109.5° |
| C2 | C3 | H53 | 110.0° | 109.5° |
| C2 | C3 | H54 | 110.1° | 109.5° |
| O21 | C2 | C1 | 107.4° | 109.4° |
| O21 | C2 | H17 | 111.4° | 109.5° |
| C2 | C1 | O11 | 108.5° | 109.5° |
| C2 | C1 | H15 | 109.7° | 109.5° |
| C2 | C1 | H16 | 109.7° | 109.5° |
| C1 | C2 | H17 | 108.9° | 109.5° |
| C3 | O31 | C31 | 112.9° | 117.0° |
| O31 | C3 | H53 | 110.0° | 109.5° |
| O31 | C3 | H54 | 110.0° | 109.5° |
| C23 | C24 | C25 | 111.5° | 109.5° |
| C24 | C23 | H20 | 108.6° | 109.5° |
| C24 | C23 | H21 | 108.6° | 109.5° |
| C23 | C24 | H22 | 109.0° | 109.5° |
| C23 | C24 | H23 | 109.0° | 109.5° |
| C1 | O11 | P | 117.9° | 123.0° |
| O11 | C1 | H15 | 109.7° | 109.5° |
| O11 | C1 | H16 | 109.7° | 109.4° |
| O11 | P | O13 | 108.7° | 109.5° |
| O11 | P | O14 | 109.2° | 109.4° |
| O11 | P | O12 | 109.7° | 109.5° |
| O13 | P | O14 | 110.4° | 109.5° |
| O13 | P | O12 | 109.3° | 109.5° |
| O31 | C31 | O32 | 119.6° | 120.0° |
| O31 | C31 | C32 | 119.0° | 120.0° |
| O14 | P | O12 | 109.5° | 109.4° |
| C24 | C25 | C26 | 112.2° | 109.5° |
| C25 | C24 | H22 | 109.0° | 109.5° |
| C25 | C24 | H23 | 108.9° | 109.4° |
| C24 | C25 | H24 | 108.8° | 109.5° |
| C24 | C25 | H25 | 108.8° | 109.4° |
| C25 | C26 | C27 | 110.9° | 109.4° |
| C26 | C25 | H24 | 108.8° | 109.5° |
| C26 | C25 | H25 | 108.8° | 109.5° |
| C25 | C26 | H26 | 109.1° | 109.4° |
| C25 | C26 | H27 | 109.1° | 109.4° |
| O32 | C31 | C32 | 121.4° | 120.0° |
| C31 | C32 | C33 | 113.4° | 109.5° |
| C31 | C32 | H55 | 108.5° | 109.5° |
| C31 | C32 | H56 | 108.5° | 109.5° |
| C26 | C27 | C28 | 112.1° | 109.4° |
| C27 | C26 | H26 | 109.1° | 109.5° |
| C27 | C26 | H27 | 109.1° | 109.5° |
| C26 | C27 | H28 | 108.8° | 109.5° |
| C26 | C27 | H29 | 108.8° | 109.5° |
| C32 | C33 | C34 | 112.4° | 109.5° |
| C33 | C32 | H55 | 108.5° | 109.5° |
| C33 | C32 | H56 | 108.5° | 109.5° |
| C32 | C33 | H57 | 108.7° | 109.5° |
| C32 | C33 | H58 | 108.7° | 109.5° |
| C27 | C28 | C29 | 111.7° | 109.4° |
| C28 | C27 | H28 | 108.8° | 109.5° |
| C28 | C27 | H29 | 108.8° | 109.4° |
| C27 | C28 | H30 | 108.9° | 109.5° |
| C27 | C28 | H31 | 108.9° | 109.5° |
| C33 | C34 | C35 | 111.4° | 109.5° |
| C34 | C33 | H57 | 108.7° | 109.5° |
| C34 | C33 | H58 | 108.7° | 109.5° |
| C33 | C34 | H59 | 109.0° | 109.5° |
| C33 | C34 | H60 | 109.0° | 109.5° |
| C34 | C35 | C36 | 110.7° | 109.5° |
| C35 | C34 | H59 | 109.0° | 109.5° |
| C35 | C34 | H60 | 109.0° | 109.5° |
| C34 | C35 | H61 | 109.2° | 109.5° |
| C34 | C35 | H62 | 109.2° | 109.4° |
| C28 | C29 | C2A | 111.7° | 109.4° |
| C29 | C28 | H30 | 108.9° | 109.5° |
| C29 | C28 | H31 | 108.9° | 109.4° |
| C28 | C29 | H32 | 108.9° | 109.5° |
| C28 | C29 | H33 | 108.9° | 109.4° |
| C35 | C36 | C37 | 111.1° | 109.5° |
| C36 | C35 | H61 | 109.2° | 109.5° |
| C36 | C35 | H62 | 109.2° | 109.5° |
| C35 | C36 | H63 | 109.1° | 109.5° |
| C35 | C36 | H64 | 109.1° | 109.5° |
| C29 | C2A | C2B | 111.2° | 109.5° |
| C2A | C29 | H32 | 108.9° | 109.4° |
| C2A | C29 | H33 | 108.9° | 109.5° |
| C29 | C2A | H34 | 109.0° | 109.5° |
| C29 | C2A | H35 | 109.0° | 109.5° |
| C36 | C37 | C38 | 110.0° | 109.5° |
| C37 | C36 | H63 | 109.1° | 109.4° |
| C37 | C36 | H64 | 109.1° | 109.4° |
| C36 | C37 | H65 | 109.4° | 109.5° |
| C36 | C37 | H66 | 109.4° | 109.4° |
| C2A | C2B | C2C | 110.8° | 109.5° |
| C2B | C2A | H34 | 109.0° | 109.5° |
| C2B | C2A | H35 | 109.0° | 109.5° |
| C2A | C2B | H36 | 109.1° | 109.5° |
| C2A | C2B | H37 | 109.1° | 109.5° |
| C37 | C38 | C39 | 110.4° | 109.5° |
| C38 | C37 | H65 | 109.3° | 109.5° |
| C38 | C37 | H66 | 109.3° | 109.5° |
| C37 | C38 | H67 | 109.3° | 109.5° |
| C37 | C38 | H68 | 109.3° | 109.4° |
| C2B | C2C | C2D | 112.3° | 109.5° |
| C2C | C2B | H36 | 109.1° | 109.5° |
| C2C | C2B | H37 | 109.2° | 109.5° |
| C2B | C2C | H38 | 108.7° | 109.5° |
| C2B | C2C | H39 | 108.8° | 109.5° |
| C2C | C2D | C2E | 112.1° | 109.5° |
| C2D | C2C | H38 | 108.8° | 109.5° |
| C2D | C2C | H39 | 108.8° | 109.4° |
| C2C | C2D | H40 | 108.8° | 109.5° |
| C2C | C2D | H41 | 108.8° | 109.4° |
| C38 | C39 | C3A | 118.1° | 120.0° |
| C39 | C38 | H67 | 109.2° | 109.5° |
| C39 | C38 | H68 | 109.3° | 109.5° |
| C38 | C39 | H69 | 120.9° | 120.0° |
| C2D | C2E | C2F | 112.1° | 109.5° |
| C2E | C2D | H40 | 108.8° | 109.5° |
| C2E | C2D | H41 | 108.8° | 109.5° |
| C2D | C2E | H42 | 108.8° | 109.5° |
| C2D | C2E | H43 | 108.8° | 109.4° |
| C2E | C2F | C2G | 111.7° | 109.5° |
| C2F | C2E | H42 | 108.8° | 109.5° |
| C2F | C2E | H43 | 108.8° | 109.5° |
| C2E | C2F | H44 | 108.9° | 109.5° |
| C2E | C2F | H45 | 108.9° | 109.5° |
| C2F | C2G | C2H | 111.6° | 109.5° |
| C2G | C2F | H44 | 108.9° | 109.5° |
| C2G | C2F | H45 | 108.9° | 109.4° |
| C2F | C2G | H46 | 109.0° | 109.4° |
| C2F | C2G | H47 | 109.0° | 109.5° |
| C39 | C3A | C3B | 119.9° | 120.0° |
| C3A | C39 | H69 | 120.9° | 120.0° |
| C39 | C3A | H70 | 120.1° | 120.0° |
| C2G | C2H | C2I | 112.1° | 109.5° |
| C2H | C2G | H46 | 108.9° | 109.5° |
| C2H | C2G | H47 | 108.9° | 109.5° |
| C2G | C2H | H48 | 108.8° | 109.5° |
| C2G | C2H | H49 | 108.8° | 109.5° |
| C3A | C3B | C3C | 110.1° | 109.5° |
| C3B | C3A | H70 | 120.0° | 120.0° |
| C3A | C3B | H71 | 109.3° | 109.5° |
| C3A | C3B | H72 | 109.3° | 109.5° |
| C3B | C3C | C3D | 111.7° | 109.5° |
| C3C | C3B | H71 | 109.3° | 109.5° |
| C3C | C3B | H72 | 109.3° | 109.5° |
| C3B | C3C | H73 | 108.9° | 109.5° |
| C3B | C3C | H74 | 108.9° | 109.4° |
| C3C | C3D | C3E | 112.7° | 109.5° |
| C3D | C3C | H73 | 108.9° | 109.5° |
| C3D | C3C | H74 | 108.9° | 109.4° |
| C3C | C3D | H75 | 108.7° | 109.5° |
| C3C | C3D | H76 | 108.6° | 109.5° |
| C2I | C2H | H48 | 108.8° | 109.5° |
| C2I | C2H | H49 | 108.8° | 109.5° |
| C2H | C2I | H50 | 109.5° | 109.5° |
| C2H | C2I | H51 | 109.5° | 109.5° |
| C2H | C2I | H52 | 109.5° | 109.5° |
| C3D | C3E | C3F | 111.5° | 109.4° |
| C3E | C3D | H75 | 108.7° | 109.5° |
| C3E | C3D | H76 | 108.7° | 109.5° |
| C3D | C3E | H77 | 109.0° | 109.5° |
| C3D | C3E | H78 | 109.0° | 109.4° |
| C3E | C3F | C3G | 112.0° | 109.4° |
| C3F | C3E | H77 | 109.0° | 109.5° |
| C3F | C3E | H78 | 109.0° | 109.5° |
| C3E | C3F | H79 | 108.8° | 109.5° |
| C3E | C3F | H80 | 108.8° | 109.5° |
| C3G | C3F | H79 | 108.8° | 109.4° |
| C3G | C3F | H80 | 108.8° | 109.5° |
| C3F | C3G | H81 | 109.5° | 109.5° |
| C3F | C3G | H82 | 109.5° | 109.5° |
| C3F | C3G | H83 | 109.5° | 109.4° |
| H2 | C11 | H3 | 109.5° | 109.5° |
| H4 | C12 | H5 | 109.5° | 109.4° |
| H6 | C13 | H7 | 109.5° | 109.5° |
| H6 | C13 | H8 | 109.4° | 109.5° |
| H7 | C13 | H8 | 109.5° | 109.5° |
| H9 | C14 | H10 | 109.4° | 109.5° |
| H9 | C14 | H11 | 109.4° | 109.4° |
| H10 | C14 | H11 | 109.5° | 109.5° |
| H12 | C15 | H13 | 109.5° | 109.5° |
| H12 | C15 | H14 | 109.4° | 109.4° |
| 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° | 109.4° |
| H22 | C24 | H23 | 109.4° | 109.4° |
| H24 | C25 | H25 | 109.5° | 109.5° |
| H26 | C26 | H27 | 109.5° | 109.5° |
| H28 | C27 | H29 | 109.5° | 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 | 109.5° | 109.4° |
| 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 | 109.4° | 109.5° |
| H48 | C2H | H49 | 109.5° | 109.4° |
| H50 | C2I | H51 | 109.4° | 109.4° |
| H50 | C2I | H52 | 109.5° | 109.5° |
| H51 | C2I | H52 | 109.4° | 109.5° |
| H53 | C3 | H54 | 109.5° | 109.5° |
| H55 | C32 | H56 | 109.5° | 109.4° |
| H57 | C33 | H58 | 109.4° | 109.5° |
| H59 | C34 | H60 | 109.4° | 109.5° |
| H61 | C35 | H62 | 109.4° | 109.5° |
| H63 | C36 | H64 | 109.4° | 109.5° |
| H65 | C37 | H66 | 109.5° | 109.5° |
| H67 | C38 | H68 | 109.4° | 109.5° |
| H71 | C3B | H72 | 109.5° | 109.5° |
| H73 | C3C | H74 | 109.5° | 109.5° |
| H75 | C3D | H76 | 109.4° | 109.5° |
| H77 | C3E | H78 | 109.5° | 109.5° |
| H79 | C3F | H80 | 109.5° | 109.4° |
| H81 | C3G | H82 | 109.4° | 109.5° |
| H81 | C3G | H83 | 109.4° | 109.4° |
| H82 | C3G | H83 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | N | C14 | C15 | 119.6° | 120.0° |
| C13 | N | C14 | C12 | 120.7° | 120.0° |
| C13 | N | C15 | C12 | 120.0° | 120.0° |
| C13 | N | C12 | C11 | 61.2° | 177.1° |
| C13 | N | C12 | H4 | 59.1° | 62.8° |
| C13 | N | C12 | H5 | 178.5° | 57.1° |
| N | C13 | H6 | H7 | 120.0° | 120.0° |
| N | C13 | H6 | H8 | 120.0° | 120.0° |
| N | C13 | H7 | H8 | 120.0° | 120.0° |
| C13 | N | C14 | H9 | 180.0° | 52.8° |
| C13 | N | C14 | H10 | 60.0° | 67.3° |
| C13 | N | C14 | H11 | 60.0° | 172.7° |
| C13 | N | C15 | H12 | 180.0° | 60.0° |
| C13 | N | C15 | H13 | 60.0° | 60.0° |
| C13 | N | C15 | H14 | 60.0° | 180.0° |
| O22 | C21 | C22 | O21 | 179.7° | 179.9° |
| O22 | C21 | C22 | C23 | 100.9° | 0.1° |
| O22 | C21 | O21 | C2 | 26.9° | 0.0° |
| O22 | C21 | C22 | H18 | 138.7° | 120.0° |
| O22 | C21 | C22 | H19 | 19.6° | 120.1° |
| C14 | N | C15 | C12 | 120.0° | 120.0° |
| C14 | N | C12 | C11 | 59.4° | 57.2° |
| C14 | N | C12 | H4 | 179.7° | 177.2° |
| C14 | N | C12 | H5 | 60.9° | 62.9° |
| C14 | N | C13 | H6 | 180.0° | 180.0° |
| C14 | N | C13 | H7 | 60.0° | 60.0° |
| C14 | N | C13 | H8 | 60.0° | 60.0° |
| N | C14 | H9 | H10 | 120.0° | 120.0° |
| N | C14 | H9 | H11 | 120.0° | 120.0° |
| N | C14 | H10 | H11 | 120.0° | 120.0° |
| C14 | N | C15 | H12 | 60.0° | 180.0° |
| C14 | N | C15 | H13 | 180.0° | 60.0° |
| C14 | N | C15 | H14 | 59.9° | 60.0° |
| C15 | N | C12 | C11 | 179.2° | 62.9° |
| C15 | N | C12 | H4 | 60.5° | 57.2° |
| C15 | N | C12 | H5 | 58.9° | 177.1° |
| C15 | N | C13 | H6 | 60.2° | 60.0° |
| C15 | N | C13 | H7 | 179.8° | 180.0° |
| C15 | N | C13 | H8 | 59.8° | 60.0° |
| C15 | N | C14 | H9 | 60.4° | 67.2° |
| C15 | N | C14 | H10 | 59.6° | 172.7° |
| C15 | N | C14 | H11 | 179.6° | 52.7° |
| N | C15 | H12 | H13 | 120.0° | 120.1° |
| N | C15 | H12 | H14 | 120.0° | 120.0° |
| N | C15 | H13 | H14 | 120.0° | 120.0° |
| N | C12 | C11 | H4 | 120.3° | 120.1° |
| N | C12 | C11 | H5 | 120.3° | 120.0° |
| N | C12 | C11 | O13 | 163.5° | 176.7° |
| N | C12 | C11 | H2 | 43.8° | 56.7° |
| N | C12 | C11 | H3 | 76.7° | 63.3° |
| N | C12 | H4 | H5 | 119.1° | 120.0° |
| C12 | N | C13 | H6 | 59.4° | 60.0° |
| C12 | N | C13 | H7 | 60.6° | 60.0° |
| C12 | N | C13 | H8 | 179.4° | 180.0° |
| C12 | N | C14 | H9 | 59.3° | 172.8° |
| C12 | N | C14 | H10 | 179.3° | 52.7° |
| C12 | N | C14 | H11 | 60.7° | 67.3° |
| C12 | N | C15 | H12 | 60.0° | 60.0° |
| C12 | N | C15 | H13 | 60.0° | 180.0° |
| C12 | N | C15 | H14 | 179.9° | 60.0° |
| C21 | C22 | C23 | H18 | 120.5° | 120.0° |
| C21 | C22 | C23 | H19 | 120.4° | 120.0° |
| C22 | C21 | O21 | C2 | 153.5° | 179.9° |
| C21 | C22 | C23 | C24 | 117.4° | 180.0° |
| C21 | C22 | H18 | H19 | 118.6° | 119.9° |
| C21 | C22 | C23 | H20 | 122.1° | 59.9° |
| C21 | C22 | C23 | H21 | 3.2° | 60.0° |
| O21 | C21 | C22 | C23 | 78.8° | 180.0° |
| C21 | O21 | C2 | C3 | 130.5° | 150.0° |
| C21 | O21 | C2 | C1 | 107.6° | 90.0° |
| C21 | O21 | C2 | H17 | 11.5° | 30.0° |
| O21 | C21 | C22 | H18 | 41.7° | 59.9° |
| O21 | C21 | C22 | H19 | 160.8° | 60.0° |
| C12 | C11 | O13 | H2 | 119.8° | 120.0° |
| C12 | C11 | O13 | H3 | 119.8° | 120.0° |
| C12 | C11 | O13 | P | 90.9° | 175.1° |
| C12 | C11 | H2 | H3 | 120.6° | 120.0° |
| C11 | C12 | H4 | H5 | 119.1° | 120.0° |
| C11 | O13 | P | O11 | 64.0° | 175.4° |
| C11 | O13 | P | O14 | 55.8° | 55.5° |
| C11 | O13 | P | O12 | 176.3° | 64.6° |
| O13 | C11 | H2 | H3 | 120.6° | 120.0° |
| O13 | C11 | C12 | H4 | 76.2° | 63.2° |
| O13 | C11 | C12 | H5 | 43.3° | 56.7° |
| C22 | C23 | C24 | H20 | 120.5° | 120.0° |
| C22 | C23 | C24 | H21 | 120.5° | 120.0° |
| C22 | C23 | C24 | C25 | 139.0° | 180.0° |
| C23 | C22 | H18 | H19 | 118.6° | 120.0° |
| C22 | C23 | H20 | H21 | 118.4° | 120.0° |
| C22 | C23 | C24 | H22 | 18.6° | 60.0° |
| C22 | C23 | C24 | H23 | 100.7° | 60.0° |
| C3 | C2 | O21 | C1 | 121.8° | 119.9° |
| C3 | C2 | O21 | H17 | 119.0° | 120.1° |
| C3 | C2 | C1 | H17 | 121.3° | 120.0° |
| C2 | C3 | O31 | H53 | 119.6° | 120.0° |
| C2 | C3 | O31 | H54 | 119.6° | 120.0° |
| C3 | C2 | C1 | O11 | 63.2° | 56.0° |
| C2 | C3 | O31 | C31 | 108.7° | 175.3° |
| C3 | C2 | C1 | H15 | 177.0° | 176.0° |
| C3 | C2 | C1 | H16 | 56.7° | 64.0° |
| C2 | C3 | H53 | H54 | 121.1° | 120.0° |
| O21 | C2 | C1 | H17 | 120.8° | 120.0° |
| O21 | C2 | C3 | O31 | 100.5° | 63.8° |
| O21 | C2 | C1 | O11 | 178.9° | 64.0° |
| O21 | C2 | C1 | H15 | 59.1° | 56.0° |
| O21 | C2 | C1 | H16 | 61.2° | 176.0° |
| O21 | C2 | C3 | H53 | 19.1° | 56.2° |
| O21 | C2 | C3 | H54 | 139.8° | 176.2° |
| C1 | C2 | C3 | O31 | 17.6° | 56.1° |
| C2 | C1 | O11 | H15 | 119.9° | 120.0° |
| C2 | C1 | O11 | H16 | 119.8° | 120.0° |
| C2 | C1 | O11 | P | 152.6° | 174.9° |
| C2 | C1 | H15 | H16 | 120.5° | 120.0° |
| C1 | C2 | C3 | H53 | 137.2° | 176.1° |
| C1 | C2 | C3 | H54 | 102.0° | 63.9° |
| C3 | O31 | C31 | O32 | 73.6° | 5.1° |
| C3 | O31 | C31 | C32 | 105.2° | 174.8° |
| O31 | C3 | C2 | H17 | 138.9° | 176.1° |
| O31 | C3 | H53 | H54 | 121.1° | 120.0° |
| C23 | C24 | C25 | H22 | 120.3° | 120.0° |
| C23 | C24 | C25 | H23 | 120.3° | 120.1° |
| C23 | C24 | C25 | C26 | 156.0° | 180.0° |
| C24 | C23 | C22 | H18 | 3.1° | 60.0° |
| C24 | C23 | C22 | H19 | 122.2° | 60.0° |
| C24 | C23 | H20 | H21 | 118.4° | 120.0° |
| C23 | C24 | H22 | H23 | 119.0° | 120.0° |
| C23 | C24 | C25 | H24 | 35.6° | 60.0° |
| C23 | C24 | C25 | H25 | 83.6° | 60.0° |
| C1 | O11 | P | O13 | 176.5° | 175.4° |
| C1 | O11 | P | O14 | 63.0° | 55.4° |
| C1 | O11 | P | O12 | 57.0° | 64.5° |
| O11 | C1 | H15 | H16 | 120.5° | 120.0° |
| O11 | C1 | C2 | H17 | 58.2° | 176.0° |
| O11 | P | O13 | O14 | 119.7° | 119.9° |
| O11 | P | O13 | O12 | 119.7° | 120.0° |
| O11 | P | O14 | O12 | 120.1° | 120.0° |
| P | O11 | C1 | H15 | 87.6° | 54.9° |
| P | O11 | C1 | H16 | 32.7° | 65.0° |
| O13 | P | O14 | O12 | 120.5° | 120.1° |
| P | O13 | C11 | H2 | 28.8° | 55.1° |
| P | O13 | C11 | H3 | 149.3° | 64.9° |
| O31 | C31 | O32 | C32 | 178.7° | 179.9° |
| O31 | C31 | C32 | C33 | 122.4° | 174.7° |
| C31 | O31 | C3 | H53 | 10.9° | 64.7° |
| C31 | O31 | C3 | H54 | 131.7° | 55.4° |
| O31 | C31 | C32 | H55 | 1.8° | 65.3° |
| O31 | C31 | C32 | H56 | 117.1° | 54.7° |
| C24 | C25 | C26 | H24 | 120.4° | 120.0° |
| C24 | C25 | C26 | H25 | 120.4° | 120.0° |
| C24 | C25 | C26 | C27 | 102.2° | 180.0° |
| C25 | C24 | C23 | H20 | 100.5° | 60.0° |
| C25 | C24 | C23 | H21 | 18.5° | 60.0° |
| C25 | C24 | H22 | H23 | 119.0° | 119.9° |
| C24 | C25 | H24 | H25 | 118.8° | 119.9° |
| C24 | C25 | C26 | H26 | 18.0° | 60.0° |
| C24 | C25 | C26 | H27 | 137.6° | 60.0° |
| C25 | C26 | C27 | H26 | 120.2° | 120.0° |
| C25 | C26 | C27 | H27 | 120.2° | 120.0° |
| C25 | C26 | C27 | C28 | 117.4° | 180.0° |
| C26 | C25 | C24 | H22 | 83.7° | 60.0° |
| C26 | C25 | C24 | H23 | 35.7° | 59.9° |
| C26 | C25 | H24 | H25 | 118.7° | 120.0° |
| C25 | C26 | H26 | H27 | 119.3° | 120.0° |
| C25 | C26 | C27 | H28 | 3.0° | 60.0° |
| C25 | C26 | C27 | H29 | 122.2° | 60.0° |
| O32 | C31 | C32 | C33 | 58.9° | 5.2° |
| O32 | C31 | C32 | H55 | 179.5° | 114.8° |
| O32 | C31 | C32 | H56 | 61.7° | 125.3° |
| C31 | C32 | C33 | H55 | 120.6° | 120.0° |
| C31 | C32 | C33 | H56 | 120.6° | 120.0° |
| C31 | C32 | C33 | C34 | 78.9° | 180.0° |
| C31 | C32 | H55 | H56 | 118.3° | 120.0° |
| C31 | C32 | C33 | H57 | 41.5° | 60.0° |
| C31 | C32 | C33 | H58 | 160.6° | 60.0° |
| C26 | C27 | C28 | H28 | 120.4° | 120.0° |
| C26 | C27 | C28 | H29 | 120.4° | 120.0° |
| C26 | C27 | C28 | C29 | 153.9° | 180.0° |
| C27 | C26 | C25 | H24 | 137.4° | 60.0° |
| C27 | C26 | C25 | H25 | 18.2° | 60.0° |
| C27 | C26 | H26 | H27 | 119.3° | 120.1° |
| C26 | C27 | H28 | H29 | 118.8° | 120.1° |
| C26 | C27 | C28 | H30 | 33.5° | 60.0° |
| C26 | C27 | C28 | H31 | 85.8° | 60.0° |
| C32 | C33 | C34 | H57 | 120.5° | 120.0° |
| C32 | C33 | C34 | H58 | 120.4° | 120.0° |
| C32 | C33 | C34 | C35 | 140.5° | 180.0° |
| C33 | C32 | H55 | H56 | 118.2° | 120.0° |
| C32 | C33 | H57 | H58 | 118.7° | 120.0° |
| C32 | C33 | C34 | H59 | 20.2° | 60.0° |
| C32 | C33 | C34 | H60 | 99.2° | 60.0° |
| C27 | C28 | C29 | H30 | 120.3° | 120.0° |
| C27 | C28 | C29 | H31 | 120.3° | 120.0° |
| C27 | C28 | C29 | C2A | 155.1° | NaN° |
| C28 | C27 | C26 | H26 | 122.4° | 60.0° |
| C28 | C27 | C26 | H27 | 2.8° | 60.0° |
| C28 | C27 | H28 | H29 | 118.8° | 120.0° |
| C27 | C28 | H30 | H31 | 119.0° | 120.0° |
| C27 | C28 | C29 | H32 | 84.6° | 60.0° |
| C27 | C28 | C29 | H33 | 34.8° | 60.0° |
| C33 | C34 | C35 | H59 | 120.3° | 120.0° |
| C33 | C34 | C35 | H60 | 120.3° | 120.0° |
| C33 | C34 | C35 | C36 | 126.8° | 180.0° |
| C34 | C33 | C32 | H55 | 160.5° | 59.9° |
| C34 | C33 | C32 | H56 | 41.7° | 60.0° |
| C34 | C33 | H57 | H58 | 118.7° | 120.0° |
| C33 | C34 | H59 | H60 | 119.2° | 120.0° |
| C33 | C34 | C35 | H61 | 113.0° | 60.0° |
| C33 | C34 | C35 | H62 | 6.6° | 60.0° |
| C34 | C35 | C36 | H61 | 120.2° | 120.0° |
| C34 | C35 | C36 | H62 | 120.2° | 120.0° |
| C34 | C35 | C36 | C37 | 120.0° | 180.0° |
| C35 | C34 | C33 | H57 | 99.1° | 60.0° |
| C35 | C34 | C33 | H58 | 20.0° | 60.0° |
| C35 | C34 | H59 | H60 | 119.1° | 120.0° |
| C34 | C35 | H61 | H62 | 119.5° | 120.0° |
| C34 | C35 | C36 | H63 | 119.7° | 60.1° |
| C34 | C35 | C36 | H64 | 0.2° | 60.0° |
| C28 | C29 | C2A | H32 | 120.3° | 120.0° |
| C28 | C29 | C2A | H33 | 120.3° | 120.0° |
| C28 | C29 | C2A | C2B | 142.2° | 180.0° |
| C29 | C28 | C27 | H28 | 85.8° | 60.0° |
| C29 | C28 | C27 | H29 | 33.4° | 60.0° |
| C29 | C28 | H30 | H31 | 119.0° | 120.0° |
| C28 | C29 | H32 | H33 | 119.0° | 120.0° |
| C28 | C29 | C2A | H34 | 22.0° | 60.0° |
| C28 | C29 | C2A | H35 | 97.5° | 60.0° |
| C35 | C36 | C37 | H63 | 120.3° | 120.0° |
| C35 | C36 | C37 | H64 | 120.2° | 120.1° |
| C35 | C36 | C37 | C38 | 87.1° | 180.0° |
| C36 | C35 | C34 | H59 | 6.5° | 60.0° |
| C36 | C35 | C34 | H60 | 112.9° | 60.0° |
| C36 | C35 | H61 | H62 | 119.4° | 120.1° |
| C35 | C36 | H63 | H64 | 119.3° | 120.1° |
| C35 | C36 | C37 | H65 | 152.8° | 60.0° |
| C35 | C36 | C37 | H66 | 32.9° | 60.0° |
| C29 | C2A | C2B | H34 | 120.2° | 120.0° |
| C29 | C2A | C2B | H35 | 120.2° | 120.0° |
| C29 | C2A | C2B | C2C | 90.2° | 180.0° |
| C2A | C29 | C28 | H30 | 34.8° | 60.0° |
| C2A | C29 | C28 | H31 | 84.6° | 60.0° |
| C2A | C29 | H32 | H33 | 119.0° | 120.0° |
| C29 | C2A | H34 | H35 | 119.2° | 120.0° |
| C29 | C2A | C2B | H36 | 149.6° | 60.0° |
| C29 | C2A | C2B | H37 | 30.0° | 60.0° |
| C36 | C37 | C38 | H65 | 120.1° | 120.0° |
| C36 | C37 | C38 | H66 | 120.1° | 120.0° |
| C36 | C37 | C38 | C39 | 105.1° | 180.0° |
| C37 | C36 | C35 | H61 | 0.2° | 60.0° |
| C37 | C36 | C35 | H62 | 119.8° | 60.0° |
| C37 | C36 | H63 | H64 | 119.3° | 119.9° |
| C36 | C37 | H65 | H66 | 119.8° | 120.0° |
| C36 | C37 | C38 | H67 | 134.8° | 60.0° |
| C36 | C37 | C38 | H68 | 15.1° | 60.0° |
| C2A | C2B | C2C | H36 | 120.2° | 120.0° |
| C2A | C2B | C2C | H37 | 120.2° | 120.0° |
| C2A | C2B | C2C | C2D | 173.7° | 180.0° |
| C2B | C2A | C29 | H32 | 97.4° | 60.0° |
| C2B | C2A | C29 | H33 | 21.9° | 60.0° |
| C2B | C2A | H34 | H35 | 119.2° | 120.0° |
| C2A | C2B | H36 | H37 | 119.4° | 120.0° |
| C2A | C2B | C2C | H38 | 53.3° | 60.0° |
| C2A | C2B | C2C | H39 | 65.9° | 60.0° |
| C37 | C38 | C39 | H67 | 120.1° | 120.0° |
| C37 | C38 | C39 | H68 | 120.2° | 120.0° |
| C37 | C38 | C39 | C3A | 137.1° | 125.0° |
| C38 | C37 | C36 | H63 | 33.1° | 60.0° |
| C38 | C37 | C36 | H64 | 152.6° | 60.0° |
| C38 | C37 | H65 | H66 | 119.7° | 120.0° |
| C37 | C38 | H67 | H68 | 119.6° | 120.0° |
| C37 | C38 | C39 | H69 | 42.9° | 54.9° |
| C2B | C2C | C2D | H38 | 120.4° | 120.0° |
| C2B | C2C | C2D | H39 | 120.5° | 120.1° |
| C2B | C2C | C2D | C2E | 49.8° | 180.0° |
| C2C | C2B | C2A | H34 | 30.0° | 60.0° |
| C2C | C2B | C2A | H35 | 149.6° | 60.0° |
| C2C | C2B | H36 | H37 | 119.4° | 120.0° |
| C2B | C2C | H38 | H39 | 118.7° | 120.0° |
| C2B | C2C | C2D | H40 | 170.2° | 60.0° |
| C2B | C2C | C2D | H41 | 70.5° | 60.0° |
| C2C | C2D | C2E | H40 | 120.4° | 120.0° |
| C2C | C2D | C2E | H41 | 120.4° | 120.0° |
| C2C | C2D | C2E | C2F | 101.3° | 180.0° |
| C2D | C2C | C2B | H36 | 66.1° | 60.0° |
| C2D | C2C | C2B | H37 | 53.5° | 60.0° |
| C2D | C2C | H38 | H39 | 118.7° | 119.9° |
| C2C | C2D | H40 | H41 | 118.8° | 119.9° |
| C2C | C2D | C2E | H42 | 138.3° | 60.0° |
| C2C | C2D | C2E | H43 | 19.0° | 60.0° |
| C38 | C39 | C3A | H69 | 180.0° | 180.0° |
| C38 | C39 | C3A | C3B | 180.0° | 180.0° |
| C39 | C38 | C37 | H65 | 15.0° | 60.0° |
| C39 | C38 | C37 | H66 | 134.8° | 60.0° |
| C39 | C38 | H67 | H68 | 119.6° | 120.0° |
| C38 | C39 | C3A | H70 | 0.0° | 0.0° |
| C2D | C2E | C2F | H42 | 120.4° | 120.1° |
| C2D | C2E | C2F | H43 | 120.4° | 119.9° |
| C2D | C2E | C2F | C2G | 145.2° | 180.0° |
| C2E | C2D | C2C | H38 | 70.6° | 59.9° |
| C2E | C2D | C2C | H39 | 170.3° | 60.0° |
| C2E | C2D | H40 | H41 | 118.8° | 120.0° |
| C2D | C2E | H42 | H43 | 118.8° | 119.9° |
| C2D | C2E | C2F | H44 | 94.4° | 59.9° |
| C2D | C2E | C2F | H45 | 24.9° | 60.1° |
| C2E | C2F | C2G | H44 | 120.3° | 120.1° |
| C2E | C2F | C2G | H45 | 120.3° | 120.0° |
| C2E | C2F | C2G | C2H | 50.9° | 179.9° |
| C2F | C2E | C2D | H40 | 19.1° | 59.9° |
| C2F | C2E | C2D | H41 | 138.3° | 60.1° |
| C2F | C2E | H42 | H43 | 118.8° | 120.0° |
| C2E | C2F | H44 | H45 | 119.0° | 120.0° |
| C2E | C2F | C2G | H46 | 69.4° | 60.0° |
| C2E | C2F | C2G | H47 | 171.3° | 60.1° |
| C2F | C2G | C2H | H46 | 120.3° | 119.9° |
| C2F | C2G | C2H | H47 | 120.3° | 120.0° |
| C2F | C2G | C2H | C2I | 147.1° | 180.0° |
| C2G | C2F | C2E | H42 | 24.8° | 60.0° |
| C2G | C2F | C2E | H43 | 94.4° | 60.0° |
| C2G | C2F | H44 | H45 | 119.0° | 120.0° |
| C2F | C2G | H46 | H47 | 119.0° | 120.0° |
| C2F | C2G | C2H | H48 | 26.7° | 60.0° |
| C2F | C2G | C2H | H49 | 92.5° | 60.0° |
| C39 | C3A | C3B | H70 | 180.0° | 179.9° |
| C39 | C3A | C3B | C3C | 114.5° | 125.0° |
| C3A | C39 | C38 | H67 | 17.0° | 5.0° |
| C3A | C39 | C38 | H68 | 102.7° | 115.0° |
| C39 | C3A | C3B | H71 | 125.5° | 115.0° |
| C39 | C3A | C3B | H72 | 5.6° | 5.0° |
| C2G | C2H | C2I | H48 | 120.4° | 120.0° |
| C2G | C2H | C2I | H49 | 120.4° | 120.0° |
| C2H | C2G | C2F | H44 | 171.3° | 60.0° |
| C2H | C2G | C2F | H45 | 69.4° | 60.0° |
| C2H | C2G | H46 | H47 | 119.0° | 120.0° |
| C2G | C2H | H48 | H49 | 118.8° | 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° |
| C3A | C3B | C3C | H71 | 120.1° | 120.0° |
| C3A | C3B | C3C | H72 | 120.1° | 120.0° |
| C3A | C3B | C3C | C3D | 163.3° | 180.0° |
| C3B | C3A | C39 | H69 | 0.0° | 0.0° |
| C3A | C3B | H71 | H72 | 119.7° | 120.0° |
| C3A | C3B | C3C | H73 | 76.4° | 60.0° |
| C3A | C3B | C3C | H74 | 42.9° | 60.0° |
| C3B | C3C | C3D | H73 | 120.3° | 120.0° |
| C3B | C3C | C3D | H74 | 120.3° | 119.9° |
| C3B | C3C | C3D | C3E | 135.6° | 180.0° |
| C3C | C3B | C3A | H70 | 65.5° | 55.0° |
| C3C | C3B | H71 | H72 | 119.7° | 120.0° |
| C3B | C3C | H73 | H74 | 118.9° | 120.0° |
| C3B | C3C | C3D | H75 | 103.9° | 60.0° |
| C3B | C3C | C3D | H76 | 15.1° | 60.0° |
| C3C | C3D | C3E | H75 | 120.5° | 120.0° |
| C3C | C3D | C3E | H76 | 120.5° | 120.0° |
| C3C | C3D | C3E | C3F | 152.2° | 180.0° |
| C3D | C3C | C3B | H71 | 43.2° | 60.0° |
| C3D | C3C | C3B | H72 | 76.7° | 60.0° |
| C3D | C3C | H73 | H74 | 119.0° | 120.0° |
| C3C | C3D | H75 | H76 | 118.5° | 120.0° |
| C3C | C3D | C3E | H77 | 87.5° | 60.0° |
| C3C | C3D | C3E | H78 | 31.9° | 60.1° |
| C2I | C2H | C2G | H46 | 92.5° | 60.1° |
| C2I | C2H | C2G | H47 | 26.8° | 60.0° |
| C2I | C2H | H48 | H49 | 118.8° | 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° |
| C3D | C3E | C3F | H77 | 120.3° | 120.0° |
| C3D | C3E | C3F | H78 | 120.3° | 119.9° |
| C3D | C3E | C3F | C3G | 120.7° | 180.0° |
| C3E | C3D | C3C | H73 | 15.3° | 60.0° |
| C3E | C3D | C3C | H74 | 104.1° | 60.1° |
| C3E | C3D | H75 | H76 | 118.5° | 120.0° |
| C3D | C3E | H77 | H78 | 119.1° | 120.0° |
| C3D | C3E | C3F | H79 | 118.9° | 60.0° |
| C3D | C3E | C3F | H80 | 0.3° | 60.0° |
| C3E | C3F | C3G | H79 | 120.4° | 120.0° |
| C3E | C3F | C3G | H80 | 120.4° | 120.0° |
| C3F | C3E | C3D | H75 | 31.7° | 60.0° |
| C3F | C3E | C3D | H76 | 87.3° | 60.0° |
| C3F | C3E | H77 | H78 | 119.1° | 120.0° |
| C3E | C3F | H79 | H80 | 118.8° | 120.0° |
| C3E | C3F | C3G | H81 | 180.0° | 60.0° |
| C3E | C3F | C3G | H82 | 60.0° | 60.0° |
| C3E | C3F | C3G | H83 | 60.0° | 180.0° |
| C3G | C3F | C3E | H77 | 0.3° | 60.0° |
| C3G | C3F | C3E | H78 | 119.0° | 60.0° |
| C3G | C3F | H79 | H80 | 118.8° | 120.0° |
| C3F | C3G | H81 | H82 | 120.0° | 120.1° |
| C3F | C3G | H81 | H83 | 120.0° | 120.0° |
| C3F | C3G | H82 | H83 | 120.0° | 120.0° |
| H2 | C11 | C12 | H4 | 164.0° | 176.8° |
| H2 | C11 | C12 | H5 | 76.5° | 63.3° |
| H3 | C11 | C12 | H4 | 43.6° | 56.8° |
| H3 | C11 | C12 | H5 | 163.0° | 176.7° |
| H6 | C13 | H7 | H8 | 120.0° | 120.0° |
| H9 | C14 | H10 | H11 | 119.9° | 120.0° |
| H12 | C15 | H13 | H14 | 119.9° | 119.9° |
| H15 | C1 | C2 | H17 | 61.7° | 64.0° |
| H16 | C1 | C2 | H17 | 178.0° | 56.0° |
| H17 | C2 | C3 | H53 | 101.5° | 63.9° |
| H17 | C2 | C3 | H54 | 19.3° | 56.1° |
| H18 | C22 | C23 | H20 | 117.4° | 180.0° |
| H18 | C22 | C23 | H21 | 123.6° | 60.1° |
| H19 | C22 | C23 | H20 | 1.7° | 60.0° |
| H19 | C22 | C23 | H21 | 117.3° | 179.9° |
| H20 | C23 | C24 | H22 | 139.1° | 180.0° |
| H20 | C23 | C24 | H23 | 19.8° | 60.0° |
| H21 | C23 | C24 | H22 | 101.9° | 60.1° |
| H21 | C23 | C24 | H23 | 138.8° | 180.0° |
| H22 | C24 | C25 | H24 | 155.9° | NaN° |
| H22 | C24 | C25 | H25 | 36.7° | 60.0° |
| H23 | C24 | C25 | H24 | 84.7° | 60.1° |
| H23 | C24 | C25 | H25 | 156.1° | 179.9° |
| H24 | C25 | C26 | H26 | 102.4° | 180.0° |
| H24 | C25 | C26 | H27 | 17.1° | 60.0° |
| H25 | C25 | C26 | H26 | 138.4° | 59.9° |
| H25 | C25 | C26 | H27 | 102.0° | 180.0° |
| H26 | C26 | C27 | H28 | 117.2° | 179.9° |
| H26 | C26 | C27 | H29 | 2.0° | 59.9° |
| H27 | C26 | C27 | H28 | 123.2° | 60.0° |
| H27 | C26 | C27 | H29 | 117.6° | 180.0° |
| H28 | C27 | C28 | H30 | 153.9° | 180.0° |
| H28 | C27 | C28 | H31 | 34.6° | 60.0° |
| H29 | C27 | C28 | H30 | 86.9° | 60.0° |
| H29 | C27 | C28 | H31 | 153.8° | 180.0° |
| H30 | C28 | C29 | H32 | 155.1° | 179.9° |
| H30 | C28 | C29 | H33 | 85.5° | 60.0° |
| H31 | C28 | C29 | H32 | 35.7° | 59.9° |
| H31 | C28 | C29 | H33 | 155.1° | NaN° |
| H32 | C29 | C2A | H34 | 142.3° | 180.0° |
| H32 | C29 | C2A | H35 | 22.8° | 60.0° |
| H33 | C29 | C2A | H34 | 98.3° | 60.0° |
| H33 | C29 | C2A | H35 | 142.2° | 180.0° |
| H34 | C2A | C2B | H36 | 90.1° | 180.0° |
| H34 | C2A | C2B | H37 | 150.3° | 60.1° |
| H35 | C2A | C2B | H36 | 29.4° | 60.0° |
| H35 | C2A | C2B | H37 | 90.2° | 179.9° |
| H36 | C2B | C2C | H38 | 173.4° | 180.0° |
| H36 | C2B | C2C | H39 | 54.3° | 60.0° |
| H37 | C2B | C2C | H38 | 66.9° | 60.1° |
| H37 | C2B | C2C | H39 | 174.0° | 180.0° |
| H38 | C2C | C2D | H40 | 49.8° | 180.0° |
| H38 | C2C | C2D | H41 | 169.0° | 60.0° |
| H39 | C2C | C2D | H40 | 69.4° | 60.1° |
| H39 | C2C | C2D | H41 | 49.9° | 179.9° |
| H40 | C2D | C2E | H42 | 101.3° | 180.0° |
| H40 | C2D | C2E | H43 | 139.4° | 60.0° |
| H41 | C2D | C2E | H42 | 17.9° | 60.0° |
| H41 | C2D | C2E | H43 | 101.3° | 180.0° |
| H42 | C2E | C2F | H44 | 145.2° | NaN° |
| H42 | C2E | C2F | H45 | 95.5° | 60.0° |
| H43 | C2E | C2F | H44 | 25.9° | 60.0° |
| H43 | C2E | C2F | H45 | 145.2° | 180.0° |
| H44 | C2F | C2G | H46 | 50.9° | 180.0° |
| H44 | C2F | C2G | H47 | 68.4° | 60.0° |
| H45 | C2F | C2G | H46 | 170.3° | 60.0° |
| H45 | C2F | C2G | H47 | 50.9° | 180.0° |
| H46 | C2G | C2H | H48 | 147.1° | 179.9° |
| H46 | C2G | C2H | H49 | 27.8° | 60.0° |
| H47 | C2G | C2H | H48 | 93.6° | 60.0° |
| H47 | C2G | C2H | H49 | 147.2° | 179.9° |
| H48 | C2H | C2I | H50 | 59.6° | 180.0° |
| H48 | C2H | C2I | H51 | 179.6° | 60.1° |
| H48 | C2H | C2I | H52 | 60.4° | 60.0° |
| H49 | C2H | C2I | H50 | 59.6° | 60.0° |
| H49 | C2H | C2I | H51 | 60.4° | 180.0° |
| H49 | C2H | C2I | H52 | 179.6° | 60.0° |
| H50 | C2I | H51 | H52 | 120.0° | 120.0° |
| H55 | C32 | C33 | H57 | 79.1° | 180.0° |
| H55 | C32 | C33 | H58 | 40.1° | 60.1° |
| H56 | C32 | C33 | H57 | 162.1° | 60.0° |
| H56 | C32 | C33 | H58 | 78.8° | 180.0° |
| H57 | C33 | C34 | H59 | 140.6° | 180.0° |
| H57 | C33 | C34 | H60 | 21.2° | 60.0° |
| H58 | C33 | C34 | H59 | 100.3° | 60.0° |
| H58 | C33 | C34 | H60 | 140.3° | 180.0° |
| H59 | C34 | C35 | H61 | 126.7° | 180.0° |
| H59 | C34 | C35 | H62 | 113.7° | 60.0° |
| H60 | C34 | C35 | H61 | 7.3° | 60.0° |
| H60 | C34 | C35 | H62 | 126.9° | 180.0° |
| H61 | C35 | C36 | H63 | 120.1° | 180.0° |
| H61 | C35 | C36 | H64 | 120.4° | 60.0° |
| H62 | C35 | C36 | H63 | 0.5° | 59.9° |
| H62 | C35 | C36 | H64 | 120.0° | 180.0° |
| H63 | C36 | C37 | H65 | 86.9° | 180.0° |
| H63 | C36 | C37 | H66 | 153.2° | 60.0° |
| H64 | C36 | C37 | H65 | 32.5° | 60.0° |
| H64 | C36 | C37 | H66 | 87.3° | 180.0° |
| H65 | C37 | C38 | H67 | 105.1° | 180.0° |
| H65 | C37 | C38 | H68 | 135.2° | 60.0° |
| H66 | C37 | C38 | H67 | 14.7° | 60.0° |
| H66 | C37 | C38 | H68 | 105.0° | 180.0° |
| H67 | C38 | C39 | H69 | 163.0° | 175.0° |
| H68 | C38 | C39 | H69 | 77.3° | 65.0° |
| H69 | C39 | C3A | H70 | 180.0° | 179.9° |
| H70 | C3A | C3B | H71 | 54.5° | 65.1° |
| H70 | C3A | C3B | H72 | 174.4° | 174.9° |
| H71 | C3B | C3C | H73 | 163.5° | 180.0° |
| H71 | C3B | C3C | H74 | 77.2° | 60.0° |
| H72 | C3B | C3C | H73 | 43.7° | 60.0° |
| H72 | C3B | C3C | H74 | 163.0° | 180.0° |
| H73 | C3C | C3D | H75 | 135.8° | 180.0° |
| H73 | C3C | C3D | H76 | 105.2° | 60.0° |
| H74 | C3C | C3D | H75 | 16.4° | 60.0° |
| H74 | C3C | C3D | H76 | 135.4° | 180.0° |
| H75 | C3D | C3E | H77 | 152.0° | NaN° |
| H75 | C3D | C3E | H78 | 88.6° | 60.0° |
| H76 | C3D | C3E | H77 | 33.0° | 60.0° |
| H76 | C3D | C3E | H78 | 152.4° | 180.0° |
| H77 | C3E | C3F | H79 | 120.7° | 180.0° |
| H77 | C3E | C3F | H80 | 120.0° | 60.0° |
| H78 | C3E | C3F | H79 | 1.4° | 59.9° |
| H78 | C3E | C3F | H80 | 120.6° | 179.9° |
| H79 | C3F | C3G | H81 | 59.6° | 180.0° |
| H79 | C3F | C3G | H82 | 179.6° | 60.0° |
| H79 | C3F | C3G | H83 | 60.4° | 60.0° |
| H80 | C3F | C3G | H81 | 59.6° | 60.0° |
| H80 | C3F | C3G | H82 | 60.4° | 180.0° |
| H80 | C3F | C3G | H83 | 179.6° | 60.0° |
| H81 | C3G | H82 | H83 | 120.0° | 120.0° |
