PI5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.54Å | 1.55Å | |
| C1 | C5 | sing | 1.55Å | 1.51Å | |
| C1 | H11 | sing | 1.09Å | 1.11Å | |
| C1 | H12 | sing | 1.09Å | 1.12Å | |
| C2 | N6 | sing | 1.47Å | 1.49Å | |
| C2 | H21 | sing | 1.09Å | 1.12Å | |
| C2 | H22A | sing | 1.09Å | 1.12Å | |
| C3 | O4 | doub | 1.21Å | 1.24Å | |
| C3 | C5 | sing | 1.51Å | 1.50Å | |
| C3 | N6 | sing | 1.34Å | 1.34Å | |
| C5 | H51 | sing | 1.09Å | 1.11Å | |
| C5 | H52 | sing | 1.09Å | 1.11Å | |
| N6 | C7 | sing | 1.46Å | 1.46Å | |
| C7 | C8 | sing | 1.53Å | 1.55Å | |
| C7 | C11 | sing | 1.51Å | 1.52Å | |
| C7 | H7 | sing | 1.09Å | 1.11Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C8 | C10 | sing | 1.53Å | 1.52Å | |
| C8 | H8 | sing | 1.09Å | 1.12Å | |
| C9 | H91 | sing | 1.09Å | 1.12Å | |
| C9 | H92 | sing | 1.09Å | 1.11Å | |
| C9 | H93 | sing | 1.09Å | 1.11Å | |
| C10 | H101 | sing | 1.09Å | 1.11Å | |
| C10 | H102 | sing | 1.09Å | 1.11Å | |
| C10 | H103 | sing | 1.09Å | 1.12Å | |
| C11 | O12 | doub | 1.21Å | 1.24Å | |
| C11 | N13 | sing | 1.35Å | 1.33Å | |
| N13 | C14 | sing | 1.47Å | 1.46Å | |
| N13 | H13 | sing | 0.97Å | 1.02Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C14 | C22 | sing | 1.53Å | 1.52Å | |
| C14 | H14 | sing | 1.09Å | 1.12Å | |
| C15 | C16 | sing | 1.51Å | 1.50Å | |
| C15 | H151 | sing | 1.09Å | 1.11Å | |
| C15 | H152 | sing | 1.09Å | 1.11Å | |
| C16 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.10Å | |
| C18 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.10Å | |
| C19 | C21 | doub | 1.39Å | 1.38Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.10Å | |
| C20 | C21 | sing | 1.39Å | 1.38Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.10Å | |
| C21 | O25 | sing | 1.36Å | 1.38Å | |
| C22 | C23 | sing | 1.53Å | 1.52Å | |
| C22 | O24 | sing | 1.43Å | 1.43Å | |
| C22 | H22 | sing | 1.09Å | 1.11Å | |
| C23 | N26 | sing | 1.47Å | 1.47Å | |
| C23 | H231 | sing | 1.09Å | 1.12Å | |
| C23 | H232 | sing | 1.09Å | 1.11Å | |
| O24 | H24 | sing | 0.97Å | 0.95Å | |
| O25 | H25 | sing | 0.97Å | 0.95Å | |
| N26 | C27 | sing | 1.47Å | 1.49Å | |
| N26 | H26 | sing | 1.01Å | 1.02Å | |
| C27 | C28 | sing | 1.53Å | 1.53Å | |
| C27 | C37 | sing | 1.51Å | 1.53Å | |
| C27 | H27 | sing | 1.09Å | 1.11Å | |
| C28 | C29 | sing | 1.51Å | 1.50Å | |
| C28 | H281 | sing | 1.09Å | 1.12Å | |
| C28 | H282 | sing | 1.09Å | 1.12Å | |
| C29 | C30 | sing | 1.38Å | 1.40Å | Aromatic |
| C29 | C32 | doub | 1.38Å | 1.39Å | Aromatic |
| C30 | C31 | doub | 1.38Å | 1.38Å | Aromatic |
| C30 | H30 | sing | 1.08Å | 1.10Å | |
| C31 | C34 | sing | 1.39Å | 1.38Å | Aromatic |
| C31 | H31 | sing | 1.08Å | 1.10Å | |
| C32 | C33 | sing | 1.38Å | 1.38Å | Aromatic |
| C32 | H32 | sing | 1.08Å | 1.10Å | |
| C33 | C34 | doub | 1.39Å | 1.38Å | Aromatic |
| C33 | H33 | sing | 1.08Å | 1.10Å | |
| C34 | O35 | sing | 1.36Å | 1.37Å | |
| O35 | C36 | sing | 1.43Å | 1.41Å | |
| C36 | C49 | sing | 1.53Å | 1.53Å | |
| C36 | H361 | sing | 1.09Å | 1.11Å | |
| C36 | H362 | sing | 1.09Å | 1.11Å | |
| C37 | O38 | doub | 1.21Å | 1.23Å | |
| C37 | N39 | sing | 1.36Å | 1.33Å | |
| N39 | C40 | sing | 1.48Å | 1.47Å | |
| N39 | H39 | sing | 0.97Å | 1.02Å | |
| C40 | C41 | sing | 1.51Å | 1.53Å | |
| C40 | C43 | sing | 1.53Å | 1.56Å | |
| C40 | H40 | sing | 1.09Å | 1.12Å | |
| C41 | O42 | doub | 1.21Å | 1.24Å | |
| C41 | N47 | sing | 1.37Å | 1.33Å | |
| C43 | C44 | sing | 1.53Å | 1.53Å | |
| C43 | C45 | sing | 1.53Å | 1.52Å | |
| C43 | H43 | sing | 1.09Å | 1.11Å | |
| C44 | C46 | sing | 1.53Å | 1.50Å | |
| C44 | H441 | sing | 1.09Å | 1.12Å | |
| C44 | H442 | sing | 1.09Å | 1.12Å | |
| C45 | H451 | sing | 1.09Å | 1.11Å | |
| C45 | H452 | sing | 1.09Å | 1.11Å | |
| C45 | H453 | sing | 1.09Å | 1.12Å | |
| C46 | H461 | sing | 1.09Å | 1.11Å | |
| C46 | H462 | sing | 1.09Å | 1.11Å | |
| C46 | H463 | sing | 1.09Å | 1.12Å | |
| N47 | C48 | sing | 1.48Å | 1.46Å | |
| N47 | H47 | sing | 0.97Å | 1.02Å | |
| C48 | C49 | sing | 1.53Å | 1.53Å | |
| C48 | H481 | sing | 1.09Å | 1.11Å | |
| C48 | H482 | sing | 1.09Å | 1.11Å | |
| C49 | H491 | sing | 1.09Å | 1.11Å | |
| C49 | H492 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C5 | 108.9° | 101.8° |
| C2 | C1 | H11 | 112.4° | 111.0° |
| C2 | C1 | H12 | 112.4° | 111.0° |
| C1 | C2 | N6 | 103.4° | 105.5° |
| C1 | C2 | H21 | 114.5° | 110.2° |
| C1 | C2 | H22A | 114.5° | 110.2° |
| C5 | C1 | H11 | 112.5° | 111.0° |
| C5 | C1 | H12 | 112.5° | 111.0° |
| C1 | C5 | C3 | 100.6° | 104.3° |
| C1 | C5 | H51 | 115.6° | 110.5° |
| C1 | C5 | H52 | 115.6° | 110.5° |
| H11 | C1 | H12 | 98.0° | 110.8° |
| N6 | C2 | H21 | 114.6° | 110.3° |
| N6 | C2 | H22A | 114.6° | 110.3° |
| C2 | N6 | C3 | 109.8° | 111.3° |
| C2 | N6 | C7 | 129.4° | 124.4° |
| H21 | C2 | H22A | 95.9° | 110.3° |
| O4 | C3 | C5 | 122.3° | 124.9° |
| O4 | C3 | N6 | 122.2° | 124.9° |
| C5 | C3 | N6 | 115.5° | 110.1° |
| C3 | C5 | H51 | 115.6° | 110.6° |
| C3 | C5 | H52 | 115.6° | 110.3° |
| C3 | N6 | C7 | 120.7° | 124.3° |
| H51 | C5 | H52 | 94.9° | 110.5° |
| N6 | C7 | C8 | 109.6° | 109.5° |
| N6 | C7 | C11 | 107.1° | 109.5° |
| N6 | C7 | H7 | 112.0° | 109.4° |
| C8 | C7 | C11 | 112.3° | 109.5° |
| C8 | C7 | H7 | 106.6° | 109.5° |
| C7 | C8 | C9 | 110.4° | 109.5° |
| C7 | C8 | C10 | 110.0° | 109.4° |
| C7 | C8 | H8 | 108.3° | 109.5° |
| C11 | C7 | H7 | 109.3° | 109.4° |
| C7 | C11 | O12 | 121.2° | 120.0° |
| C7 | C11 | N13 | 115.5° | 120.0° |
| C9 | C8 | C10 | 109.0° | 109.5° |
| C9 | C8 | H8 | 109.3° | 109.5° |
| C8 | C9 | H91 | 110.4° | 109.5° |
| C8 | C9 | H92 | 111.8° | 109.4° |
| C8 | C9 | H93 | 111.9° | 109.5° |
| C10 | C8 | H8 | 109.7° | 109.5° |
| C8 | C10 | H101 | 110.0° | 109.5° |
| C8 | C10 | H102 | 112.0° | 109.5° |
| C8 | C10 | H103 | 112.0° | 109.5° |
| H91 | C9 | H92 | 111.9° | 109.5° |
| H91 | C9 | H93 | 111.9° | 109.5° |
| H92 | C9 | H93 | 98.5° | 109.5° |
| H101 | C10 | H102 | 112.0° | 109.5° |
| H101 | C10 | H103 | 112.0° | 109.4° |
| H102 | C10 | H103 | 98.4° | 109.5° |
| O12 | C11 | N13 | 123.3° | 120.0° |
| C11 | N13 | C14 | 122.1° | 120.0° |
| C11 | N13 | H13 | 113.9° | 120.0° |
| C14 | N13 | H13 | 124.0° | 120.0° |
| N13 | C14 | C15 | 110.1° | 109.4° |
| N13 | C14 | C22 | 111.8° | 109.5° |
| N13 | C14 | H14 | 107.4° | 109.4° |
| C15 | C14 | C22 | 109.4° | 109.5° |
| C15 | C14 | H14 | 109.9° | 109.5° |
| C14 | C15 | C16 | 113.5° | 109.5° |
| C14 | C15 | H151 | 110.7° | 109.5° |
| C14 | C15 | H152 | 110.7° | 109.4° |
| C22 | C14 | H14 | 108.1° | 109.5° |
| C14 | C22 | C23 | 110.9° | 109.5° |
| C14 | C22 | O24 | 108.7° | 109.5° |
| C14 | C22 | H22 | 109.0° | 109.5° |
| C16 | C15 | H151 | 110.7° | 109.5° |
| C16 | C15 | H152 | 110.7° | 109.4° |
| C15 | C16 | C17 | 120.7° | 119.9° |
| C15 | C16 | C18 | 120.8° | 120.0° |
| H151 | C15 | H152 | 99.6° | 109.5° |
| C17 | C16 | C18 | 118.4° | 120.1° |
| C16 | C17 | C19 | 121.1° | 120.1° |
| C16 | C17 | H17 | 119.7° | 120.0° |
| C16 | C18 | C20 | 121.0° | 120.0° |
| C16 | C18 | H18 | 119.8° | 120.0° |
| C19 | C17 | H17 | 119.2° | 119.9° |
| C17 | C19 | C21 | 119.4° | 120.0° |
| C17 | C19 | H19 | 120.3° | 120.1° |
| C20 | C18 | H18 | 119.1° | 120.0° |
| C18 | C20 | C21 | 119.4° | 120.0° |
| C18 | C20 | H20 | 120.3° | 120.1° |
| C21 | C19 | H19 | 120.3° | 120.0° |
| C19 | C21 | C20 | 120.7° | 119.8° |
| C19 | C21 | O25 | 119.3° | 120.1° |
| C21 | C20 | H20 | 120.3° | 120.0° |
| C20 | C21 | O25 | 120.1° | 120.1° |
| C21 | O25 | H25 | 119.3° | 106.8° |
| C23 | C22 | O24 | 109.3° | 109.4° |
| C23 | C22 | H22 | 108.3° | 109.4° |
| C22 | C23 | N26 | 108.1° | 109.5° |
| C22 | C23 | H231 | 112.8° | 109.5° |
| C22 | C23 | H232 | 112.7° | 109.4° |
| O24 | C22 | H22 | 110.6° | 109.5° |
| C22 | O24 | H24 | 108.6° | 106.8° |
| N26 | C23 | H231 | 112.7° | 109.5° |
| N26 | C23 | H232 | 112.8° | 109.5° |
| C23 | N26 | C27 | 115.1° | 106.7° |
| C23 | N26 | H26 | 110.1° | 106.7° |
| H231 | C23 | H232 | 97.6° | 109.5° |
| C27 | N26 | H26 | 110.2° | 106.7° |
| N26 | C27 | C28 | 111.5° | 109.4° |
| N26 | C27 | C37 | 117.9° | 109.5° |
| N26 | C27 | H27 | 101.5° | 109.4° |
| C28 | C27 | C37 | 109.1° | 109.5° |
| C28 | C27 | H27 | 111.9° | 109.4° |
| C27 | C28 | C29 | 111.3° | 109.5° |
| C27 | C28 | H281 | 111.6° | 109.4° |
| C27 | C28 | H282 | 111.6° | 109.5° |
| C37 | C27 | H27 | 104.5° | 109.6° |
| C27 | C37 | O38 | 121.4° | 120.6° |
| C27 | C37 | N39 | 115.4° | 118.8° |
| C29 | C28 | H281 | 111.5° | 109.5° |
| C29 | C28 | H282 | 111.6° | 109.5° |
| C28 | C29 | C30 | 120.8° | 120.0° |
| C28 | C29 | C32 | 120.6° | 119.9° |
| H281 | C28 | H282 | 98.8° | 109.4° |
| C30 | C29 | C32 | 118.3° | 120.1° |
| C29 | C30 | C31 | 121.1° | 120.0° |
| C29 | C30 | H30 | 120.0° | 120.0° |
| C29 | C32 | C33 | 121.0° | 120.0° |
| C29 | C32 | H32 | 119.9° | 119.9° |
| C31 | C30 | H30 | 118.9° | 120.0° |
| C30 | C31 | C34 | 119.2° | 120.0° |
| C30 | C31 | H31 | 120.3° | 120.0° |
| C34 | C31 | H31 | 120.5° | 120.0° |
| C31 | C34 | C33 | 120.7° | 119.9° |
| C31 | C34 | O35 | 120.7° | 120.0° |
| C33 | C32 | H32 | 119.1° | 120.0° |
| C32 | C33 | C34 | 119.6° | 120.0° |
| C32 | C33 | H33 | 120.0° | 120.0° |
| C34 | C33 | H33 | 120.3° | 120.0° |
| C33 | C34 | O35 | 118.6° | 120.1° |
| C34 | O35 | C36 | 121.8° | 106.8° |
| O35 | C36 | C49 | 111.5° | 109.5° |
| O35 | C36 | H361 | 111.4° | 109.5° |
| O35 | C36 | H362 | 111.4° | 109.5° |
| C49 | C36 | H361 | 111.5° | 109.4° |
| C49 | C36 | H362 | 111.5° | 109.5° |
| C36 | C49 | C48 | 112.7° | 109.5° |
| C36 | C49 | H491 | 111.0° | 109.5° |
| C36 | C49 | H492 | 111.0° | 109.5° |
| H361 | C36 | H362 | 98.9° | 109.5° |
| O38 | C37 | N39 | 123.2° | 120.6° |
| C37 | N39 | C40 | 123.3° | 115.9° |
| C37 | N39 | H39 | 113.0° | 122.1° |
| C40 | N39 | H39 | 123.7° | 122.0° |
| N39 | C40 | C41 | 101.5° | 109.1° |
| N39 | C40 | C43 | 112.8° | 109.6° |
| N39 | C40 | H40 | 112.2° | 109.5° |
| C41 | C40 | C43 | 108.4° | 109.6° |
| C41 | C40 | H40 | 116.4° | 109.6° |
| C40 | C41 | O42 | 120.4° | 120.5° |
| C40 | C41 | N47 | 116.6° | 119.0° |
| C43 | C40 | H40 | 105.8° | 109.5° |
| C40 | C43 | C44 | 110.9° | 109.5° |
| C40 | C43 | C45 | 110.4° | 109.5° |
| C40 | C43 | H43 | 107.8° | 109.5° |
| O42 | C41 | N47 | 123.0° | 120.5° |
| C41 | N47 | C48 | 120.4° | 115.9° |
| C41 | N47 | H47 | 115.3° | 122.1° |
| C44 | C43 | C45 | 109.2° | 109.4° |
| C44 | C43 | H43 | 109.0° | 109.5° |
| C43 | C44 | C46 | 114.3° | 109.5° |
| C43 | C44 | H441 | 110.5° | 109.5° |
| C43 | C44 | H442 | 110.5° | 109.5° |
| C45 | C43 | H43 | 109.6° | 109.4° |
| C43 | C45 | H451 | 110.4° | 109.5° |
| C43 | C45 | H452 | 111.9° | 109.5° |
| C43 | C45 | H453 | 111.8° | 109.5° |
| C46 | C44 | H441 | 110.4° | 109.5° |
| C46 | C44 | H442 | 110.4° | 109.5° |
| C44 | C46 | H461 | 114.3° | 109.4° |
| C44 | C46 | H462 | 110.5° | 109.4° |
| C44 | C46 | H463 | 110.5° | 109.5° |
| H441 | C44 | H442 | 99.8° | 109.4° |
| H451 | C45 | H452 | 111.9° | 109.5° |
| H451 | C45 | H453 | 111.9° | 109.5° |
| H452 | C45 | H453 | 98.6° | 109.4° |
| H461 | C46 | H462 | 110.5° | 109.5° |
| H461 | C46 | H463 | 110.4° | 109.5° |
| H462 | C46 | H463 | 99.8° | 109.5° |
| C48 | N47 | H47 | 124.3° | 122.0° |
| N47 | C48 | C49 | 115.2° | 108.8° |
| N47 | C48 | H481 | 110.1° | 109.6° |
| N47 | C48 | H482 | 110.1° | 109.6° |
| C49 | C48 | H481 | 110.1° | 109.5° |
| C49 | C48 | H482 | 110.1° | 109.6° |
| C48 | C49 | H491 | 111.0° | 109.4° |
| C48 | C49 | H492 | 111.0° | 109.4° |
| H481 | C48 | H482 | 100.2° | 109.7° |
| H491 | C49 | H492 | 99.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C5 | H11 | 125.3° | 118.2° |
| C2 | C1 | C5 | H12 | 125.2° | 118.1° |
| C2 | C1 | H11 | H12 | 118.3° | 123.8° |
| C1 | C2 | N6 | H21 | 125.3° | 118.9° |
| C1 | C2 | N6 | H22A | 125.3° | 119.0° |
| C1 | C2 | H21 | H22A | 120.4° | 121.9° |
| C2 | C1 | C5 | C3 | 13.5° | 24.6° |
| C1 | C2 | N6 | C3 | 6.1° | 17.3° |
| C2 | C1 | C5 | H51 | 138.8° | 143.5° |
| C2 | C1 | C5 | H52 | 111.7° | 93.9° |
| C1 | C2 | N6 | C7 | 170.6° | 163.0° |
| C5 | C1 | H11 | H12 | 118.4° | 123.8° |
| C5 | C1 | C2 | N6 | 12.6° | 25.5° |
| C5 | C1 | C2 | H21 | 112.7° | 144.4° |
| C5 | C1 | C2 | H22A | 137.9° | 93.6° |
| C1 | C5 | C3 | O4 | 169.6° | 163.8° |
| C1 | C5 | C3 | H51 | 125.3° | 118.8° |
| C1 | C5 | C3 | H52 | 125.2° | 118.7° |
| C1 | C5 | C3 | N6 | 10.4° | 15.9° |
| C1 | C5 | H51 | H52 | 121.4° | 122.6° |
| H11 | C1 | C2 | N6 | 112.7° | 92.7° |
| H11 | C1 | C2 | H21 | 122.0° | 26.2° |
| H11 | C1 | C2 | H22A | 12.6° | 148.2° |
| H11 | C1 | C5 | C3 | 111.8° | 93.5° |
| H11 | C1 | C5 | H51 | 13.5° | 25.3° |
| H11 | C1 | C5 | H52 | 123.0° | 148.0° |
| H12 | C1 | C2 | N6 | 137.9° | 143.6° |
| H12 | C1 | C2 | H21 | 12.6° | 97.4° |
| H12 | C1 | C2 | H22A | 96.8° | 24.6° |
| H12 | C1 | C5 | C3 | 138.7° | 142.7° |
| H12 | C1 | C5 | H51 | 96.0° | 98.4° |
| H12 | C1 | C5 | H52 | 13.5° | 24.2° |
| N6 | C2 | H21 | H22A | 120.4° | 122.0° |
| C2 | N6 | C3 | O4 | 177.3° | 179.5° |
| C2 | N6 | C3 | C5 | 2.7° | 0.8° |
| C2 | N6 | C3 | C7 | 177.1° | 179.8° |
| C2 | N6 | C7 | C8 | 51.4° | 125.2° |
| C2 | N6 | C7 | C11 | 70.6° | 114.8° |
| C2 | N6 | C7 | H7 | 169.6° | 5.1° |
| H21 | C2 | N6 | C3 | 119.1° | 136.2° |
| H21 | C2 | N6 | C7 | 64.1° | 44.0° |
| H22A | C2 | N6 | C3 | 131.4° | 101.7° |
| H22A | C2 | N6 | C7 | 45.3° | 78.0° |
| O4 | C3 | C5 | N6 | 180.0° | 179.7° |
| O4 | C3 | C5 | H51 | 44.4° | 45.0° |
| O4 | C3 | C5 | H52 | 65.1° | 77.6° |
| O4 | C3 | N6 | C7 | 0.2° | 0.3° |
| C3 | C5 | H51 | H52 | 121.5° | 122.4° |
| C5 | C3 | N6 | C7 | 179.8° | 179.4° |
| N6 | C3 | C5 | H51 | 135.6° | 134.7° |
| N6 | C3 | C5 | H52 | 114.9° | 102.7° |
| C3 | N6 | C7 | C8 | 132.1° | 55.1° |
| C3 | N6 | C7 | C11 | 105.8° | 64.9° |
| C3 | N6 | C7 | H7 | 14.0° | 175.1° |
| N6 | C7 | C8 | C11 | 118.9° | 120.1° |
| N6 | C7 | C8 | H7 | 121.4° | 120.0° |
| N6 | C7 | C11 | H7 | 121.5° | 120.0° |
| N6 | C7 | C8 | C9 | 179.1° | 175.1° |
| N6 | C7 | C8 | C10 | 60.5° | 55.2° |
| N6 | C7 | C8 | H8 | 59.4° | 64.8° |
| N6 | C7 | C11 | O12 | 84.9° | 14.8° |
| N6 | C7 | C11 | N13 | 93.1° | 165.3° |
| C8 | C7 | C11 | H7 | 118.1° | 120.0° |
| C7 | C8 | C9 | C10 | 121.0° | 120.0° |
| C7 | C8 | C9 | H8 | 119.1° | 120.0° |
| C7 | C8 | C10 | H8 | 119.1° | 120.0° |
| C7 | C8 | C9 | H91 | 180.0° | 176.4° |
| C7 | C8 | C9 | H92 | 54.7° | 63.6° |
| C7 | C8 | C9 | H93 | 54.7° | 56.4° |
| C7 | C8 | C10 | H101 | 180.0° | 64.4° |
| C7 | C8 | C10 | H102 | 54.8° | 55.6° |
| C7 | C8 | C10 | H103 | 54.8° | 175.7° |
| C8 | C7 | C11 | O12 | 35.5° | 105.3° |
| C8 | C7 | C11 | N13 | 146.5° | 74.7° |
| C11 | C7 | C8 | C9 | 60.2° | 64.8° |
| C11 | C7 | C8 | C10 | 179.4° | 175.2° |
| C11 | C7 | C8 | H8 | 59.4° | 55.2° |
| C7 | C11 | O12 | N13 | 177.9° | 179.9° |
| C7 | C11 | N13 | C14 | 179.5° | 176.6° |
| C7 | C11 | N13 | H13 | 0.5° | 3.3° |
| H7 | C7 | C8 | C9 | 59.5° | 55.1° |
| H7 | C7 | C8 | C10 | 60.9° | 64.8° |
| H7 | C7 | C8 | H8 | 179.1° | 175.2° |
| H7 | C7 | C11 | O12 | 153.6° | 134.7° |
| H7 | C7 | C11 | N13 | 28.4° | 45.3° |
| C9 | C8 | C10 | H8 | 119.7° | 120.0° |
| C8 | C9 | H91 | H92 | 125.2° | 120.0° |
| C8 | C9 | H91 | H93 | 125.3° | 120.0° |
| C8 | C9 | H92 | H93 | 117.8° | 120.0° |
| C9 | C8 | C10 | H101 | 58.8° | 55.6° |
| C9 | C8 | C10 | H102 | 66.5° | 175.6° |
| C9 | C8 | C10 | H103 | 176.0° | 64.3° |
| C10 | C8 | C9 | H91 | 59.0° | 56.5° |
| C10 | C8 | C9 | H92 | 175.7° | 176.5° |
| C10 | C8 | C9 | H93 | 66.3° | 63.6° |
| C8 | C10 | H101 | H102 | 125.3° | 120.0° |
| C8 | C10 | H101 | H103 | 125.2° | 120.0° |
| C8 | C10 | H102 | H103 | 117.9° | 120.0° |
| H8 | C8 | C9 | H91 | 60.9° | 63.6° |
| H8 | C8 | C9 | H92 | 64.3° | 56.4° |
| H8 | C8 | C9 | H93 | 173.8° | 176.4° |
| H8 | C8 | C10 | H101 | 60.9° | 175.6° |
| H8 | C8 | C10 | H102 | 173.9° | 64.3° |
| H8 | C8 | C10 | H103 | 64.3° | 55.7° |
| H91 | C9 | H92 | H93 | 117.8° | 120.0° |
| H101 | C10 | H102 | H103 | 117.9° | 120.0° |
| O12 | C11 | N13 | C14 | 1.5° | 3.5° |
| O12 | C11 | N13 | H13 | 178.5° | 176.7° |
| C11 | N13 | C14 | H13 | 180.0° | 179.9° |
| C11 | N13 | C14 | C15 | 126.4° | 61.6° |
| C11 | N13 | C14 | C22 | 111.8° | 58.4° |
| C11 | N13 | C14 | H14 | 6.7° | 178.4° |
| N13 | C14 | C15 | C22 | 123.3° | 120.0° |
| N13 | C14 | C15 | H14 | 118.1° | 119.9° |
| N13 | C14 | C22 | H14 | 118.0° | 120.0° |
| N13 | C14 | C15 | C16 | 59.4° | 65.4° |
| N13 | C14 | C15 | H151 | 65.9° | 54.7° |
| N13 | C14 | C15 | H152 | 175.4° | 174.7° |
| N13 | C14 | C22 | C23 | 59.6° | 60.0° |
| N13 | C14 | C22 | O24 | 179.8° | 180.0° |
| N13 | C14 | C22 | H22 | 59.6° | 60.0° |
| H13 | N13 | C14 | C15 | 53.6° | 118.5° |
| H13 | N13 | C14 | C22 | 68.3° | 121.5° |
| H13 | N13 | C14 | H14 | 173.3° | 1.5° |
| C15 | C14 | C22 | H14 | 119.7° | 120.0° |
| C14 | C15 | C16 | H151 | 125.3° | 120.0° |
| C14 | C15 | C16 | H152 | 125.2° | 120.0° |
| C14 | C15 | H151 | H152 | 116.6° | 120.0° |
| C14 | C15 | C16 | C17 | 63.1° | 96.8° |
| C14 | C15 | C16 | C18 | 115.7° | 83.5° |
| C15 | C14 | C22 | C23 | 178.1° | 180.0° |
| C15 | C14 | C22 | O24 | 58.0° | 60.0° |
| C15 | C14 | C22 | H22 | 62.7° | 60.0° |
| C22 | C14 | C15 | C16 | 177.4° | 174.6° |
| C22 | C14 | C15 | H151 | 57.4° | 65.3° |
| C22 | C14 | C15 | H152 | 52.1° | 54.7° |
| C14 | C22 | C23 | O24 | 119.8° | 120.0° |
| C14 | C22 | C23 | H22 | 119.6° | 120.0° |
| C14 | C22 | O24 | H22 | 119.6° | 120.0° |
| C14 | C22 | C23 | N26 | 179.1° | 180.0° |
| C14 | C22 | C23 | H231 | 55.6° | 60.0° |
| C14 | C22 | C23 | H232 | 53.8° | 60.0° |
| C14 | C22 | O24 | H24 | 180.0° | 60.0° |
| H14 | C14 | C15 | C16 | 58.7° | 54.6° |
| H14 | C14 | C15 | H151 | 176.0° | 174.6° |
| H14 | C14 | C15 | H152 | 66.5° | 65.4° |
| H14 | C14 | C22 | C23 | 58.4° | 59.9° |
| H14 | C14 | C22 | O24 | 61.8° | 60.0° |
| H14 | C14 | C22 | H22 | 177.6° | 180.0° |
| C16 | C15 | H151 | H152 | 116.6° | 120.0° |
| C15 | C16 | C17 | C18 | 178.8° | 179.7° |
| C15 | C16 | C17 | C19 | 178.6° | 180.0° |
| C15 | C16 | C17 | H17 | 1.3° | 0.0° |
| C15 | C16 | C18 | C20 | 178.6° | 179.8° |
| C15 | C16 | C18 | H18 | 1.3° | 0.2° |
| H151 | C15 | C16 | C17 | 171.6° | 23.2° |
| H151 | C15 | C16 | C18 | 9.6° | 156.5° |
| H152 | C15 | C16 | C17 | 62.1° | 143.2° |
| H152 | C15 | C16 | C18 | 119.1° | 36.5° |
| C16 | C17 | C19 | H17 | 179.9° | 179.9° |
| C17 | C16 | C18 | C20 | 0.2° | 0.5° |
| C17 | C16 | C18 | H18 | 179.9° | 180.0° |
| C16 | C17 | C19 | C21 | 0.1° | 0.1° |
| C16 | C17 | C19 | H19 | 179.9° | 179.9° |
| C18 | C16 | C17 | C19 | 0.2° | 0.3° |
| C18 | C16 | C17 | H17 | 179.8° | 179.7° |
| C16 | C18 | C20 | H18 | 179.9° | 179.5° |
| C16 | C18 | C20 | C21 | 0.0° | 0.5° |
| C16 | C18 | C20 | H20 | 180.0° | 179.7° |
| C17 | C19 | C21 | H19 | 180.0° | 180.0° |
| C17 | C19 | C21 | C20 | 0.1° | 0.0° |
| C17 | C19 | C21 | O25 | 179.4° | 180.0° |
| H17 | C17 | C19 | C21 | 180.0° | 180.0° |
| H17 | C17 | C19 | H19 | 0.0° | 0.0° |
| C18 | C20 | C21 | C19 | 0.1° | 0.2° |
| C18 | C20 | C21 | H20 | 180.0° | 179.9° |
| C18 | C20 | C21 | O25 | 179.4° | 179.8° |
| H18 | C18 | C20 | C21 | 180.0° | 180.0° |
| H18 | C18 | C20 | H20 | 0.0° | 0.1° |
| C19 | C21 | C20 | O25 | 179.5° | 180.0° |
| C19 | C21 | C20 | H20 | 179.9° | 179.9° |
| C19 | C21 | O25 | H25 | 179.9° | 90.1° |
| H19 | C19 | C21 | C20 | 179.9° | 179.9° |
| H19 | C19 | C21 | O25 | 0.5° | 0.0° |
| C20 | C21 | O25 | H25 | 0.4° | 90.0° |
| H20 | C20 | C21 | O25 | 0.6° | 0.1° |
| C23 | C22 | O24 | H22 | 119.2° | 120.0° |
| C22 | C23 | N26 | H231 | 125.3° | 120.0° |
| C22 | C23 | N26 | H232 | 125.3° | 119.9° |
| C22 | C23 | H231 | H232 | 118.6° | 119.9° |
| C23 | C22 | O24 | H24 | 58.9° | 60.0° |
| C22 | C23 | N26 | C27 | 133.7° | 180.0° |
| C22 | C23 | N26 | H26 | 101.0° | 66.2° |
| O24 | C22 | C23 | N26 | 59.3° | 60.0° |
| O24 | C22 | C23 | H231 | 175.4° | 60.0° |
| O24 | C22 | C23 | H232 | 66.0° | 180.0° |
| H22 | C22 | C23 | N26 | 61.3° | 59.9° |
| H22 | C22 | C23 | H231 | 64.0° | 180.0° |
| H22 | C22 | C23 | H232 | 173.4° | 60.0° |
| H22 | C22 | O24 | H24 | 60.3° | 179.9° |
| N26 | C23 | H231 | H232 | 118.7° | 120.0° |
| C23 | N26 | C27 | H26 | 125.2° | 113.8° |
| C23 | N26 | C27 | C28 | 64.4° | 77.9° |
| C23 | N26 | C27 | C37 | 62.9° | 162.1° |
| C23 | N26 | C27 | H27 | 176.3° | 42.0° |
| H231 | C23 | N26 | C27 | 101.0° | 60.0° |
| H231 | C23 | N26 | H26 | 24.3° | 173.8° |
| H232 | C23 | N26 | C27 | 8.4° | 60.0° |
| H232 | C23 | N26 | H26 | 133.7° | 53.7° |
| N26 | C27 | C28 | C37 | 132.0° | 120.0° |
| N26 | C27 | C28 | H27 | 113.0° | 119.9° |
| N26 | C27 | C37 | H27 | 111.8° | 120.0° |
| N26 | C27 | C28 | C29 | 172.8° | 77.9° |
| N26 | C27 | C28 | H281 | 61.9° | 162.1° |
| N26 | C27 | C28 | H282 | 47.5° | 42.2° |
| N26 | C27 | C37 | O38 | 56.9° | 173.5° |
| N26 | C27 | C37 | N39 | 124.1° | 6.5° |
| H26 | N26 | C27 | C28 | 60.8° | 168.3° |
| H26 | N26 | C27 | C37 | 171.9° | 48.3° |
| H26 | N26 | C27 | H27 | 58.5° | 71.8° |
| C28 | C27 | C37 | H27 | 119.7° | 120.0° |
| C27 | C28 | C29 | H281 | 125.3° | 120.0° |
| C27 | C28 | C29 | H282 | 125.3° | 120.1° |
| C27 | C28 | H281 | H282 | 117.4° | 120.0° |
| C27 | C28 | C29 | C30 | 70.6° | 95.7° |
| C27 | C28 | C29 | C32 | 103.4° | 84.2° |
| C28 | C27 | C37 | O38 | 71.6° | 53.6° |
| C28 | C27 | C37 | N39 | 107.4° | 126.5° |
| C37 | C27 | C28 | C29 | 40.8° | 42.1° |
| C37 | C27 | C28 | H281 | 166.1° | 77.9° |
| C37 | C27 | C28 | H282 | 84.5° | 162.2° |
| C27 | C37 | O38 | N39 | 178.9° | 179.9° |
| C27 | C37 | N39 | C40 | 178.9° | 179.1° |
| C27 | C37 | N39 | H39 | 1.1° | 1.0° |
| H27 | C27 | C28 | C29 | 74.2° | 162.2° |
| H27 | C27 | C28 | H281 | 51.0° | 42.2° |
| H27 | C27 | C28 | H282 | 160.5° | 77.7° |
| H27 | C27 | C37 | O38 | 168.7° | 66.4° |
| H27 | C27 | C37 | N39 | 12.3° | 113.5° |
| C29 | C28 | H281 | H282 | 117.4° | 120.0° |
| C28 | C29 | C30 | C32 | 174.1° | 179.9° |
| C28 | C29 | C30 | C31 | 173.3° | 180.0° |
| C28 | C29 | C30 | H30 | 6.7° | 0.0° |
| C28 | C29 | C32 | C33 | 173.2° | 179.9° |
| C28 | C29 | C32 | H32 | 6.8° | 0.0° |
| H281 | C28 | C29 | C30 | 54.7° | 24.2° |
| H281 | C28 | C29 | C32 | 131.3° | 155.9° |
| H282 | C28 | C29 | C30 | 164.1° | 144.2° |
| H282 | C28 | C29 | C32 | 21.9° | 35.9° |
| C29 | C30 | C31 | H30 | 180.0° | 180.0° |
| C29 | C30 | C31 | C34 | 0.1° | 0.0° |
| C29 | C30 | C31 | H31 | 180.0° | 180.0° |
| C30 | C29 | C32 | C33 | 0.9° | 0.2° |
| C30 | C29 | C32 | H32 | 179.0° | 179.9° |
| C32 | C29 | C30 | C31 | 0.8° | 0.1° |
| C32 | C29 | C30 | H30 | 179.2° | 179.9° |
| C29 | C32 | C33 | H32 | 180.0° | 179.9° |
| C29 | C32 | C33 | C34 | 0.2° | 0.2° |
| C29 | C32 | C33 | H33 | 179.8° | 180.0° |
| C30 | C31 | C34 | H31 | 180.0° | 180.0° |
| C30 | C31 | C34 | C33 | 0.7° | 0.0° |
| C30 | C31 | C34 | O35 | 177.9° | 180.0° |
| H30 | C30 | C31 | C34 | 179.9° | 180.0° |
| H30 | C30 | C31 | H31 | 0.0° | 0.0° |
| C31 | C34 | C33 | C32 | 0.6° | 0.1° |
| C31 | C34 | C33 | O35 | 178.6° | 179.9° |
| C31 | C34 | C33 | H33 | 179.4° | 179.9° |
| C31 | C34 | O35 | C36 | 25.4° | 67.9° |
| H31 | C31 | C34 | C33 | 179.3° | 180.0° |
| H31 | C31 | C34 | O35 | 2.1° | 0.1° |
| C32 | C33 | C34 | H33 | 180.0° | 179.8° |
| C32 | C33 | C34 | O35 | 178.0° | 180.0° |
| H32 | C32 | C33 | C34 | 179.7° | 179.9° |
| H32 | C32 | C33 | H33 | 0.3° | 0.1° |
| C33 | C34 | O35 | C36 | 153.2° | 112.2° |
| H33 | C33 | C34 | O35 | 2.0° | 0.1° |
| C34 | O35 | C36 | C49 | 97.7° | 60.6° |
| C34 | O35 | C36 | H361 | 27.5° | 59.4° |
| C34 | O35 | C36 | H362 | 137.0° | 179.4° |
| O35 | C36 | C49 | H361 | 125.2° | 120.0° |
| O35 | C36 | C49 | H362 | 125.3° | 120.0° |
| O35 | C36 | H361 | H362 | 117.3° | 120.0° |
| O35 | C36 | C49 | C48 | 94.6° | 154.1° |
| O35 | C36 | C49 | H491 | 140.1° | 85.9° |
| O35 | C36 | C49 | H492 | 30.6° | 34.1° |
| C49 | C36 | H361 | H362 | 117.4° | 120.0° |
| C36 | C49 | C48 | N47 | 84.8° | 127.7° |
| C36 | C49 | C48 | H491 | 125.3° | 120.1° |
| C36 | C49 | C48 | H492 | 125.2° | 120.0° |
| C36 | C49 | C48 | H481 | 149.9° | 7.9° |
| C36 | C49 | C48 | H482 | 40.4° | 112.4° |
| C36 | C49 | H491 | H492 | 116.9° | 120.1° |
| H361 | C36 | C49 | C48 | 30.6° | 34.1° |
| H361 | C36 | C49 | H491 | 94.7° | 154.1° |
| H361 | C36 | C49 | H492 | 155.8° | 85.9° |
| H362 | C36 | C49 | C48 | 140.1° | 85.9° |
| H362 | C36 | C49 | H491 | 14.8° | 34.1° |
| H362 | C36 | C49 | H492 | 94.7° | 154.1° |
| O38 | C37 | N39 | C40 | 0.1° | 0.9° |
| O38 | C37 | N39 | H39 | 179.9° | 179.1° |
| C37 | N39 | C40 | H39 | 180.0° | 179.9° |
| C37 | N39 | C40 | C41 | 146.6° | 86.4° |
| C37 | N39 | C40 | C43 | 97.6° | 33.6° |
| C37 | N39 | C40 | H40 | 21.7° | 153.7° |
| N39 | C40 | C41 | C43 | 119.0° | 119.9° |
| N39 | C40 | C41 | H40 | 122.1° | 119.9° |
| N39 | C40 | C43 | H40 | 123.0° | 120.1° |
| N39 | C40 | C41 | O42 | 63.5° | 92.9° |
| N39 | C40 | C41 | N47 | 114.0° | 87.0° |
| N39 | C40 | C43 | C44 | 65.8° | 53.0° |
| N39 | C40 | C43 | C45 | 173.0° | 173.0° |
| N39 | C40 | C43 | H43 | 53.4° | 67.0° |
| H39 | N39 | C40 | C41 | 33.4° | 93.6° |
| H39 | N39 | C40 | C43 | 82.3° | 146.5° |
| H39 | N39 | C40 | H40 | 158.4° | 26.3° |
| C41 | C40 | C43 | H40 | 125.5° | 120.2° |
| C40 | C41 | O42 | N47 | 177.3° | 179.8° |
| C41 | C40 | C43 | C44 | 177.4° | 172.7° |
| C41 | C40 | C43 | C45 | 61.5° | 67.3° |
| C41 | C40 | C43 | H43 | 58.2° | 52.6° |
| C40 | C41 | N47 | C48 | 179.6° | 178.3° |
| C40 | C41 | N47 | H47 | 0.5° | 1.5° |
| C43 | C40 | C41 | O42 | 55.5° | 27.1° |
| C43 | C40 | C41 | N47 | 127.0° | 153.1° |
| C40 | C43 | C44 | C45 | 121.9° | 120.0° |
| C40 | C43 | C44 | H43 | 118.5° | 120.0° |
| C40 | C43 | C45 | H43 | 118.5° | 120.0° |
| C40 | C43 | C44 | C46 | 79.1° | 180.0° |
| C40 | C43 | C44 | H441 | 46.1° | 59.9° |
| C40 | C43 | C44 | H442 | 155.6° | 60.0° |
| C40 | C43 | C45 | H451 | 180.0° | 57.1° |
| C40 | C43 | C45 | H452 | 54.7° | 177.1° |
| C40 | C43 | C45 | H453 | 54.8° | 63.0° |
| H40 | C40 | C41 | O42 | 174.5° | 147.2° |
| H40 | C40 | C41 | N47 | 8.0° | 32.9° |
| H40 | C40 | C43 | C44 | 57.1° | 67.2° |
| H40 | C40 | C43 | C45 | 64.0° | 52.9° |
| H40 | C40 | C43 | H43 | 176.4° | 172.8° |
| O42 | C41 | N47 | C48 | 3.0° | 1.8° |
| O42 | C41 | N47 | H47 | 177.0° | 178.3° |
| C41 | N47 | C48 | H47 | 180.0° | 179.9° |
| C41 | N47 | C48 | C49 | 157.7° | 92.1° |
| C41 | N47 | C48 | H481 | 77.0° | 27.7° |
| C41 | N47 | C48 | H482 | 32.5° | 148.1° |
| C44 | C43 | C45 | H43 | 119.3° | 120.0° |
| C43 | C44 | C46 | H441 | 125.3° | 120.0° |
| C43 | C44 | C46 | H442 | 125.3° | 120.0° |
| C43 | C44 | H441 | H442 | 116.3° | 120.0° |
| C44 | C43 | C45 | H451 | 57.8° | 63.0° |
| C44 | C43 | C45 | H452 | 176.8° | 57.0° |
| C44 | C43 | C45 | H453 | 67.4° | 176.9° |
| C43 | C44 | C46 | H461 | 180.0° | 180.0° |
| C43 | C44 | C46 | H462 | 54.7° | 60.0° |
| C43 | C44 | C46 | H463 | 54.8° | 60.0° |
| C45 | C43 | C44 | C46 | 42.7° | 60.0° |
| C45 | C43 | C44 | H441 | 168.0° | 180.0° |
| C45 | C43 | C44 | H442 | 82.6° | 60.0° |
| C43 | C45 | H451 | H452 | 125.3° | 120.0° |
| C43 | C45 | H451 | H453 | 125.2° | 120.1° |
| C43 | C45 | H452 | H453 | 117.7° | 119.9° |
| H43 | C43 | C44 | C46 | 162.4° | 60.0° |
| H43 | C43 | C44 | H441 | 72.4° | 60.1° |
| H43 | C43 | C44 | H442 | 37.1° | 180.0° |
| H43 | C43 | C45 | H451 | 61.5° | 177.1° |
| H43 | C43 | C45 | H452 | 63.8° | 62.9° |
| H43 | C43 | C45 | H453 | 173.3° | 56.9° |
| C46 | C44 | H441 | H442 | 116.3° | 120.0° |
| C44 | C46 | H461 | H462 | 125.3° | 119.9° |
| C44 | C46 | H461 | H463 | 125.2° | 120.0° |
| C44 | C46 | H462 | H463 | 116.3° | 120.0° |
| H441 | C44 | C46 | H461 | 54.7° | 60.0° |
| H441 | C44 | C46 | H462 | 180.0° | 60.0° |
| H441 | C44 | C46 | H463 | 70.5° | 180.0° |
| H442 | C44 | C46 | H461 | 54.7° | 60.0° |
| H442 | C44 | C46 | H462 | 70.6° | 179.9° |
| H442 | C44 | C46 | H463 | 179.9° | 60.0° |
| H451 | C45 | H452 | H453 | 117.8° | 120.0° |
| H461 | C46 | H462 | H463 | 116.2° | 120.0° |
| N47 | C48 | C49 | H481 | 125.3° | 119.8° |
| N47 | C48 | C49 | H482 | 125.2° | 119.8° |
| N47 | C48 | H481 | H482 | 115.9° | 120.4° |
| N47 | C48 | C49 | H491 | 149.9° | 112.2° |
| N47 | C48 | C49 | H492 | 40.4° | 7.7° |
| H47 | N47 | C48 | C49 | 22.2° | 88.1° |
| H47 | N47 | C48 | H481 | 103.1° | 152.2° |
| H47 | N47 | C48 | H482 | 147.4° | 31.7° |
| C49 | C48 | H481 | H482 | 115.9° | 120.3° |
| C48 | C49 | H491 | H492 | 116.9° | 119.9° |
| H481 | C48 | C49 | H491 | 24.7° | 128.0° |
| H481 | C48 | C49 | H492 | 84.9° | 112.1° |
| H482 | C48 | C49 | H491 | 84.9° | 7.6° |
| H482 | C48 | C49 | H492 | 165.6° | 127.5° |
