RGA
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O1 | C1 | doub | 1.22Å | 1.21Å | |
C1 | O25 | sing | 1.34Å | 1.38Å | |
C1 | C2 | sing | 1.41Å | 1.52Å | |
O25 | C25 | sing | 1.43Å | 1.43Å | |
C2 | C3 | doub | 1.36Å | 1.35Å | |
C2 | H2 | sing | 1.08Å | 1.10Å | |
C3 | C4 | sing | 1.46Å | 1.53Å | |
C3 | H3 | sing | 1.08Å | 1.10Å | |
C4 | C5 | doub | 1.33Å | 1.35Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
C5 | C38 | sing | 1.51Å | 1.57Å | |
C5 | C6 | sing | 1.51Å | 1.52Å | |
C38 | H381 | sing | 1.09Å | 1.12Å | |
C38 | H382 | sing | 1.09Å | 1.11Å | |
C38 | H383 | sing | 1.09Å | 1.12Å | |
C6 | C7 | sing | 1.53Å | 1.53Å | |
C6 | H61 | sing | 1.09Å | 1.12Å | |
C6 | H62 | sing | 1.09Å | 1.12Å | |
C7 | O7 | sing | 1.43Å | 1.51Å | |
C7 | C8 | sing | 1.53Å | 1.53Å | |
C7 | H7 | sing | 1.09Å | 1.11Å | |
O7 | C48 | sing | 1.43Å | 1.52Å | |
C48 | H481 | sing | 1.09Å | 1.12Å | |
C48 | H482 | sing | 1.09Å | 1.11Å | |
C48 | H483 | sing | 1.09Å | 1.11Å | |
C8 | C9 | sing | 1.51Å | 1.49Å | |
C8 | H81 | sing | 1.09Å | 1.11Å | |
C8 | H82 | sing | 1.09Å | 1.12Å | |
C9 | C39 | doub | 1.33Å | 1.33Å | |
C9 | C10 | sing | 1.51Å | 1.50Å | |
C39 | C40 | sing | 1.47Å | 1.49Å | |
C39 | H39 | sing | 1.08Å | 1.10Å | |
C40 | O40 | doub | 1.22Å | 1.19Å | |
C40 | O11 | sing | 1.34Å | 1.39Å | |
C10 | C11 | sing | 1.52Å | 1.52Å | |
C10 | H101 | sing | 1.09Å | 1.11Å | |
C10 | H102 | sing | 1.09Å | 1.12Å | |
C11 | O11 | sing | 1.45Å | 1.47Å | |
C11 | C12 | sing | 1.54Å | 1.51Å | |
C11 | H11 | sing | 1.09Å | 1.11Å | |
C12 | C41 | sing | 1.53Å | 1.53Å | |
C12 | C13 | sing | 1.53Å | 1.52Å | |
C12 | H12 | sing | 1.09Å | 1.12Å | |
C41 | H411 | sing | 1.09Å | 1.11Å | |
C41 | H412 | sing | 1.09Å | 1.12Å | |
C41 | H413 | sing | 1.09Å | 1.12Å | |
C13 | O13 | sing | 1.43Å | 1.41Å | |
C13 | C14 | sing | 1.53Å | 1.52Å | |
C13 | H13 | sing | 1.09Å | 1.12Å | |
O13 | C49 | sing | 1.43Å | 1.43Å | |
C49 | H491 | sing | 1.09Å | 1.11Å | |
C49 | H492 | sing | 1.09Å | 1.11Å | |
C49 | H493 | sing | 1.09Å | 1.12Å | |
C14 | C15 | sing | 1.53Å | 1.57Å | |
C14 | H141 | sing | 1.09Å | 1.11Å | |
C14 | H142 | sing | 1.09Å | 1.11Å | |
C15 | O15 | sing | 1.43Å | 1.46Å | |
C15 | C16 | sing | 1.51Å | 1.58Å | |
C15 | H15 | sing | 1.09Å | 1.12Å | |
O15 | C50 | sing | 1.43Å | 1.46Å | |
C50 | H501 | sing | 1.09Å | 1.11Å | |
C50 | H502 | sing | 1.09Å | 1.12Å | |
C50 | H503 | sing | 1.09Å | 1.12Å | |
C16 | C17 | doub | 1.31Å | 1.34Å | |
C16 | H16 | sing | 1.08Å | 1.10Å | |
C17 | C18 | sing | 1.51Å | 1.53Å | |
C17 | H17 | sing | 1.09Å | 1.10Å | |
C18 | C42 | sing | 1.53Å | 1.51Å | |
C18 | C19 | sing | 1.53Å | 1.55Å | |
C18 | H18 | sing | 1.09Å | 1.11Å | |
C42 | H421 | sing | 1.09Å | 1.11Å | |
C42 | H422 | sing | 1.09Å | 1.12Å | |
C42 | H423 | sing | 1.09Å | 1.11Å | |
C19 | O19 | sing | 1.43Å | 1.44Å | |
C19 | C20 | sing | 1.52Å | 1.52Å | |
C19 | H19 | sing | 1.09Å | 1.12Å | |
O19 | C51 | sing | 1.43Å | 1.43Å | |
C51 | H511 | sing | 1.09Å | 1.11Å | |
C51 | H512 | sing | 1.09Å | 1.11Å | |
C51 | H513 | sing | 1.09Å | 1.12Å | |
C20 | C21 | sing | 1.53Å | 1.52Å | |
C20 | H201 | sing | 1.09Å | 1.11Å | |
C20 | H202 | sing | 1.09Å | 1.11Å | |
C21 | O21 | sing | 1.43Å | 1.42Å | |
C21 | C22 | sing | 1.51Å | 1.51Å | |
C21 | H21 | sing | 1.09Å | 1.12Å | |
O21 | C52 | sing | 1.43Å | 1.42Å | |
C52 | H521 | sing | 1.09Å | 1.11Å | |
C52 | H522 | sing | 1.09Å | 1.12Å | |
C52 | H523 | sing | 1.09Å | 1.12Å | |
C22 | C23 | doub | 1.31Å | 1.32Å | |
C22 | H22 | sing | 1.08Å | 1.10Å | |
C23 | C24 | sing | 1.50Å | 1.53Å | |
C23 | H23 | sing | 1.08Å | 1.10Å | |
C24 | C43 | sing | 1.53Å | 1.53Å | |
C24 | C25 | sing | 1.53Å | 1.54Å | |
C24 | H24 | sing | 1.09Å | 1.11Å | |
C43 | H431 | sing | 1.09Å | 1.11Å | |
C43 | H432 | sing | 1.09Å | 1.11Å | |
C43 | H433 | sing | 1.09Å | 1.11Å | |
C25 | C26 | sing | 1.53Å | 1.58Å | |
C25 | H25 | sing | 1.09Å | 1.12Å | |
C26 | C44 | sing | 1.53Å | 1.56Å | |
C26 | C27 | sing | 1.53Å | 1.55Å | |
C26 | H26 | sing | 1.09Å | 1.11Å | |
C44 | H441 | sing | 1.09Å | 1.12Å | |
C44 | H442 | sing | 1.09Å | 1.11Å | |
C44 | H443 | sing | 1.09Å | 1.12Å | |
C27 | O27 | sing | 1.43Å | 1.45Å | |
C27 | C28 | sing | 1.53Å | 1.56Å | |
C27 | H27 | sing | 1.09Å | 1.12Å | |
O27 | C53 | sing | 1.43Å | 1.43Å | |
C53 | H531 | sing | 1.09Å | 1.12Å | |
C53 | H532 | sing | 1.09Å | 1.12Å | |
C53 | H533 | sing | 1.09Å | 1.11Å | |
C28 | C45 | sing | 1.53Å | 1.56Å | |
C28 | C29 | sing | 1.53Å | 1.53Å | |
C28 | H28 | sing | 1.09Å | 1.11Å | |
C45 | H451 | sing | 1.09Å | 1.11Å | |
C45 | H452 | sing | 1.09Å | 1.12Å | |
C45 | H453 | sing | 1.09Å | 1.12Å | |
C29 | C30 | sing | 1.53Å | 1.55Å | |
C29 | H291 | sing | 1.09Å | 1.12Å | |
C29 | H292 | sing | 1.09Å | 1.11Å | |
C30 | C31 | sing | 1.51Å | 1.56Å | |
C30 | H301 | sing | 1.09Å | 1.11Å | |
C30 | H302 | sing | 1.09Å | 1.12Å | |
C31 | O31 | doub | 1.21Å | 1.20Å | |
C31 | C32 | sing | 1.51Å | 1.51Å | |
C32 | C46 | sing | 1.53Å | 1.59Å | |
C32 | C33 | sing | 1.53Å | 1.57Å | |
C32 | H32 | sing | 1.09Å | 1.11Å | |
C46 | H461 | sing | 1.09Å | 1.11Å | |
C46 | H462 | sing | 1.09Å | 1.11Å | |
C46 | H463 | sing | 1.09Å | 1.12Å | |
C33 | O33 | sing | 1.43Å | 1.42Å | |
C33 | C34 | sing | 1.53Å | 1.58Å | |
C33 | H33 | sing | 1.09Å | 1.11Å | |
O33 | C54 | sing | 1.43Å | 1.42Å | |
C54 | H541 | sing | 1.09Å | 1.12Å | |
C54 | H542 | sing | 1.09Å | 1.11Å | |
C54 | H543 | sing | 1.09Å | 1.11Å | |
C34 | C35 | sing | 1.51Å | 1.55Å | |
C34 | H341 | sing | 1.09Å | 1.11Å | |
C34 | H342 | sing | 1.09Å | 1.11Å | |
C35 | C36 | doub | 1.32Å | 1.34Å | |
C35 | H35 | sing | 1.08Å | 1.10Å | |
C36 | N36 | sing | 1.39Å | 1.44Å | |
C36 | H36 | sing | 1.08Å | 1.10Å | |
N36 | C47 | sing | 1.46Å | 1.47Å | |
N36 | C37 | sing | 1.35Å | 1.43Å | |
C47 | H471 | sing | 1.09Å | 1.12Å | |
C47 | H472 | sing | 1.09Å | 1.12Å | |
C47 | H473 | sing | 1.09Å | 1.11Å | |
C37 | O37 | doub | 1.21Å | 1.20Å | |
C37 | H37 | sing | 1.08Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1 | C1 | O25 | 122.8° | 119.2° |
O1 | C1 | C2 | 125.5° | 119.4° |
O25 | C1 | C2 | 111.6° | 121.4° |
C1 | O25 | C25 | 113.9° | 118.5° |
C1 | C2 | C3 | 118.1° | 120.2° |
C1 | C2 | H2 | 126.4° | 120.7° |
O25 | C25 | C24 | 105.8° | 108.7° |
O25 | C25 | C26 | 105.2° | 110.2° |
O25 | C25 | H25 | 114.3° | 109.5° |
C3 | C2 | H2 | 115.5° | 119.1° |
C2 | C3 | C4 | 119.1° | 119.2° |
C2 | C3 | H3 | 114.6° | 119.2° |
C4 | C3 | H3 | 126.3° | 121.6° |
C3 | C4 | C5 | 124.6° | 122.4° |
C3 | C4 | H4 | 124.3° | 118.2° |
C5 | C4 | H4 | 111.1° | 119.4° |
C4 | C5 | C38 | 123.7° | 121.6° |
C4 | C5 | C6 | 111.9° | 119.4° |
C38 | C5 | C6 | 124.3° | 119.1° |
C5 | C38 | H381 | 123.7° | 109.5° |
C5 | C38 | H382 | 107.2° | 109.4° |
C5 | C38 | H383 | 107.2° | 109.5° |
C5 | C6 | C7 | 111.0° | 109.8° |
C5 | C6 | H61 | 111.6° | 109.0° |
C5 | C6 | H62 | 111.6° | 109.4° |
H381 | C38 | H382 | 107.2° | 109.5° |
H381 | C38 | H383 | 107.1° | 109.5° |
H382 | C38 | H383 | 102.6° | 109.5° |
C7 | C6 | H61 | 111.6° | 109.3° |
C7 | C6 | H62 | 111.7° | 109.8° |
C6 | C7 | O7 | 103.3° | 109.3° |
C6 | C7 | C8 | 108.6° | 110.1° |
C6 | C7 | H7 | 114.4° | 109.5° |
H61 | C6 | H62 | 98.7° | 109.5° |
O7 | C7 | C8 | 110.9° | 109.3° |
O7 | C7 | H7 | 112.2° | 109.2° |
C7 | O7 | C48 | 111.6° | 114.0° |
C8 | C7 | H7 | 107.4° | 109.3° |
C7 | C8 | C9 | 112.5° | 109.8° |
C7 | C8 | H81 | 111.1° | 109.3° |
C7 | C8 | H82 | 111.1° | 109.7° |
O7 | C48 | H481 | 111.5° | 109.5° |
O7 | C48 | H482 | 111.4° | 109.5° |
O7 | C48 | H483 | 111.5° | 109.4° |
H481 | C48 | H482 | 111.4° | 109.5° |
H481 | C48 | H483 | 111.4° | 109.5° |
H482 | C48 | H483 | 99.0° | 109.4° |
C9 | C8 | H81 | 111.1° | 109.1° |
C9 | C8 | H82 | 111.1° | 109.5° |
C8 | C9 | C39 | 120.6° | 120.0° |
C8 | C9 | C10 | 119.2° | 120.2° |
H81 | C8 | H82 | 99.2° | 109.3° |
C39 | C9 | C10 | 120.2° | 119.7° |
C9 | C39 | C40 | 122.4° | 119.4° |
C9 | C39 | H39 | 112.8° | 120.4° |
C9 | C10 | C11 | 114.1° | 110.4° |
C9 | C10 | H101 | 110.5° | 109.4° |
C9 | C10 | H102 | 110.5° | 109.1° |
C40 | C39 | H39 | 124.8° | 120.2° |
C39 | C40 | O40 | 123.1° | 119.8° |
C39 | C40 | O11 | 118.7° | 120.6° |
O40 | C40 | O11 | 118.3° | 119.5° |
C40 | O11 | C11 | 118.5° | 119.4° |
C11 | C10 | H101 | 110.6° | 109.6° |
C11 | C10 | H102 | 110.6° | 109.2° |
C10 | C11 | O11 | 113.4° | 111.5° |
C10 | C11 | C12 | 116.3° | 109.9° |
C10 | C11 | H11 | 99.8° | 109.6° |
H101 | C10 | H102 | 99.7° | 109.2° |
O11 | C11 | C12 | 103.0° | 108.2° |
O11 | C11 | H11 | 114.0° | 109.4° |
C12 | C11 | H11 | 110.9° | 108.2° |
C11 | C12 | C41 | 110.6° | 108.6° |
C11 | C12 | C13 | 118.2° | 110.1° |
C11 | C12 | H12 | 100.9° | 109.4° |
C41 | C12 | C13 | 104.6° | 110.0° |
C41 | C12 | H12 | 115.6° | 109.3° |
C12 | C41 | H411 | 110.6° | 109.5° |
C12 | C41 | H412 | 111.7° | 109.5° |
C12 | C41 | H413 | 111.7° | 109.5° |
C13 | C12 | H12 | 107.5° | 109.4° |
C12 | C13 | O13 | 115.9° | 109.6° |
C12 | C13 | C14 | 124.1° | 109.5° |
C12 | C13 | H13 | 90.2° | 109.7° |
H411 | C41 | H412 | 111.9° | 109.5° |
H411 | C41 | H413 | 111.8° | 109.4° |
H412 | C41 | H413 | 98.6° | 109.5° |
O13 | C13 | C14 | 107.4° | 109.2° |
O13 | C13 | H13 | 114.5° | 109.3° |
C13 | O13 | C49 | 139.8° | 114.0° |
C14 | C13 | H13 | 102.6° | 109.5° |
C13 | C14 | C15 | 114.2° | 110.5° |
C13 | C14 | H141 | 110.4° | 109.5° |
C13 | C14 | H142 | 110.4° | 110.1° |
O13 | C49 | H491 | 139.8° | 109.5° |
O13 | C49 | H492 | 101.9° | 109.5° |
O13 | C49 | H493 | 101.9° | 109.4° |
H491 | C49 | H492 | 102.0° | 109.5° |
H491 | C49 | H493 | 101.9° | 109.5° |
H492 | C49 | H493 | 106.0° | 109.5° |
C15 | C14 | H141 | 110.5° | 109.1° |
C15 | C14 | H142 | 110.5° | 108.3° |
C14 | C15 | O15 | 98.9° | 109.3° |
C14 | C15 | C16 | 103.9° | 109.8° |
C14 | C15 | H15 | 120.0° | 110.1° |
H141 | C14 | H142 | 99.9° | 109.3° |
O15 | C15 | C16 | 112.1° | 109.1° |
O15 | C15 | H15 | 112.9° | 109.2° |
C15 | O15 | C50 | 116.9° | 114.0° |
C16 | C15 | H15 | 108.5° | 109.3° |
C15 | C16 | C17 | 112.3° | 118.9° |
C15 | C16 | H16 | 131.0° | 119.3° |
O15 | C50 | H501 | 116.9° | 109.5° |
O15 | C50 | H502 | 109.5° | 109.4° |
O15 | C50 | H503 | 109.5° | 109.4° |
H501 | C50 | H502 | 109.5° | 109.5° |
H501 | C50 | H503 | 109.5° | 109.5° |
H502 | C50 | H503 | 100.6° | 109.5° |
C17 | C16 | H16 | 116.7° | 121.8° |
C16 | C17 | C18 | 118.1° | 122.6° |
C16 | C17 | H17 | 114.6° | 118.8° |
C18 | C17 | H17 | 127.2° | 118.6° |
C17 | C18 | C42 | 109.7° | 110.1° |
C17 | C18 | C19 | 113.6° | 108.0° |
C17 | C18 | H18 | 107.3° | 109.6° |
C42 | C18 | C19 | 111.8° | 109.7° |
C42 | C18 | H18 | 109.2° | 110.1° |
C18 | C42 | H421 | 109.7° | 109.5° |
C18 | C42 | H422 | 112.1° | 109.4° |
C18 | C42 | H423 | 112.2° | 109.5° |
C19 | C18 | H18 | 104.9° | 109.3° |
C18 | C19 | O19 | 108.6° | 108.8° |
C18 | C19 | C20 | 109.7° | 111.5° |
C18 | C19 | H19 | 109.0° | 108.3° |
H421 | C42 | H422 | 112.1° | 109.4° |
H421 | C42 | H423 | 112.1° | 109.5° |
H422 | C42 | H423 | 98.3° | 109.5° |
O19 | C19 | C20 | 106.6° | 110.0° |
O19 | C19 | H19 | 111.9° | 108.8° |
C19 | O19 | C51 | 116.9° | 114.0° |
C20 | C19 | H19 | 111.0° | 109.4° |
C19 | C20 | C21 | 118.9° | 110.1° |
C19 | C20 | H201 | 108.8° | 110.5° |
C19 | C20 | H202 | 108.8° | 109.9° |
O19 | C51 | H511 | 116.9° | 109.5° |
O19 | C51 | H512 | 109.6° | 109.5° |
O19 | C51 | H513 | 109.5° | 109.5° |
H511 | C51 | H512 | 109.5° | 109.4° |
H511 | C51 | H513 | 109.5° | 109.5° |
H512 | C51 | H513 | 100.6° | 109.5° |
C21 | C20 | H201 | 108.8° | 107.9° |
C21 | C20 | H202 | 108.8° | 109.1° |
C20 | C21 | O21 | 110.3° | 109.7° |
C20 | C21 | C22 | 117.1° | 109.2° |
C20 | C21 | H21 | 103.2° | 109.1° |
H201 | C20 | H202 | 101.3° | 109.3° |
O21 | C21 | C22 | 108.8° | 110.1° |
O21 | C21 | H21 | 112.5° | 109.6° |
C21 | O21 | C52 | 128.2° | 114.0° |
C22 | C21 | H21 | 104.9° | 109.2° |
C21 | C22 | C23 | 129.7° | 121.0° |
C21 | C22 | H22 | 123.1° | 118.6° |
O21 | C52 | H521 | 128.2° | 109.5° |
O21 | C52 | H522 | 105.6° | 109.5° |
O21 | C52 | H523 | 105.7° | 109.4° |
H521 | C52 | H522 | 105.7° | 109.5° |
H521 | C52 | H523 | 105.6° | 109.5° |
H522 | C52 | H523 | 103.6° | 109.5° |
C23 | C22 | H22 | 107.2° | 120.4° |
C22 | C23 | C24 | 126.9° | 121.1° |
C22 | C23 | H23 | 108.2° | 119.3° |
C24 | C23 | H23 | 124.8° | 119.6° |
C23 | C24 | C43 | 101.3° | 109.7° |
C23 | C24 | C25 | 105.2° | 110.9° |
C23 | C24 | H24 | 117.5° | 109.3° |
C43 | C24 | C25 | 110.6° | 108.9° |
C43 | C24 | H24 | 112.6° | 109.1° |
C24 | C43 | H431 | 101.3° | 109.5° |
C24 | C43 | H432 | 115.3° | 109.5° |
C24 | C43 | H433 | 115.3° | 109.5° |
C25 | C24 | H24 | 109.1° | 108.9° |
C24 | C25 | C26 | 109.0° | 109.6° |
C24 | C25 | H25 | 110.9° | 109.3° |
H431 | C43 | H432 | 115.3° | 109.4° |
H431 | C43 | H433 | 115.4° | 109.5° |
H432 | C43 | H433 | 95.1° | 109.5° |
C26 | C25 | H25 | 111.4° | 109.5° |
C25 | C26 | C44 | 113.5° | 109.5° |
C25 | C26 | C27 | 109.2° | 109.5° |
C25 | C26 | H26 | 106.1° | 109.4° |
C44 | C26 | C27 | 106.7° | 109.5° |
C44 | C26 | H26 | 108.6° | 109.4° |
C26 | C44 | H441 | 113.5° | 109.4° |
C26 | C44 | H442 | 110.7° | 109.5° |
C26 | C44 | H443 | 110.7° | 109.5° |
C27 | C26 | H26 | 112.9° | 109.5° |
C26 | C27 | O27 | 105.5° | 109.4° |
C26 | C27 | C28 | 113.5° | 109.5° |
C26 | C27 | H27 | 108.2° | 109.5° |
H441 | C44 | H442 | 110.8° | 109.5° |
H441 | C44 | H443 | 110.7° | 109.4° |
H442 | C44 | H443 | 99.6° | 109.5° |
O27 | C27 | C28 | 105.1° | 109.5° |
O27 | C27 | H27 | 116.2° | 109.4° |
C27 | O27 | C53 | 114.9° | 114.0° |
C28 | C27 | H27 | 108.5° | 109.5° |
C27 | C28 | C45 | 109.2° | 109.5° |
C27 | C28 | C29 | 118.0° | 109.5° |
C27 | C28 | H28 | 103.3° | 109.5° |
O27 | C53 | H531 | 114.9° | 109.5° |
O27 | C53 | H532 | 110.3° | 109.5° |
O27 | C53 | H533 | 110.3° | 109.5° |
H531 | C53 | H532 | 110.2° | 109.5° |
H531 | C53 | H533 | 110.2° | 109.5° |
H532 | C53 | H533 | 100.0° | 109.4° |
C45 | C28 | C29 | 108.5° | 109.5° |
C45 | C28 | H28 | 113.7° | 109.5° |
C28 | C45 | H451 | 109.2° | 109.4° |
C28 | C45 | H452 | 112.3° | 109.5° |
C28 | C45 | H453 | 112.3° | 109.5° |
C29 | C28 | H28 | 104.1° | 109.4° |
C28 | C29 | C30 | 113.4° | 109.5° |
C28 | C29 | H291 | 110.7° | 109.4° |
C28 | C29 | H292 | 110.8° | 109.4° |
H451 | C45 | H452 | 112.3° | 109.5° |
H451 | C45 | H453 | 112.2° | 109.5° |
H452 | C45 | H453 | 98.1° | 109.5° |
C30 | C29 | H291 | 110.8° | 109.5° |
C30 | C29 | H292 | 110.8° | 109.5° |
C29 | C30 | C31 | 108.9° | 109.4° |
C29 | C30 | H301 | 112.4° | 109.5° |
C29 | C30 | H302 | 112.4° | 109.5° |
H291 | C29 | H292 | 99.5° | 109.5° |
C31 | C30 | H301 | 112.5° | 109.4° |
C31 | C30 | H302 | 112.5° | 109.4° |
C30 | C31 | O31 | 128.3° | 120.0° |
C30 | C31 | C32 | 105.6° | 120.0° |
H301 | C30 | H302 | 98.0° | 109.5° |
O31 | C31 | C32 | 126.1° | 120.0° |
C31 | C32 | C46 | 106.0° | 109.4° |
C31 | C32 | C33 | 106.3° | 109.5° |
C31 | C32 | H32 | 113.3° | 109.5° |
C46 | C32 | C33 | 108.5° | 109.4° |
C46 | C32 | H32 | 111.3° | 109.5° |
C32 | C46 | H461 | 106.0° | 109.4° |
C32 | C46 | H462 | 113.5° | 109.5° |
C32 | C46 | H463 | 113.5° | 109.5° |
C33 | C32 | H32 | 111.1° | 109.5° |
C32 | C33 | O33 | 100.2° | 109.4° |
C32 | C33 | C34 | 110.0° | 109.5° |
C32 | C33 | H33 | 114.9° | 109.5° |
H461 | C46 | H462 | 113.6° | 109.4° |
H461 | C46 | H463 | 113.5° | 109.5° |
H462 | C46 | H463 | 96.9° | 109.5° |
O33 | C33 | C34 | 109.3° | 109.5° |
O33 | C33 | H33 | 115.6° | 109.5° |
C33 | O33 | C54 | 110.7° | 114.0° |
C34 | C33 | H33 | 106.7° | 109.5° |
C33 | C34 | C35 | 115.7° | 109.5° |
C33 | C34 | H341 | 109.9° | 109.4° |
C33 | C34 | H342 | 109.9° | 109.5° |
O33 | C54 | H541 | 110.7° | 109.4° |
O33 | C54 | H542 | 111.7° | 109.5° |
O33 | C54 | H543 | 111.8° | 109.4° |
H541 | C54 | H542 | 111.7° | 109.5° |
H541 | C54 | H543 | 111.7° | 109.5° |
H542 | C54 | H543 | 98.7° | 109.5° |
C35 | C34 | H341 | 110.0° | 109.5° |
C35 | C34 | H342 | 109.9° | 109.5° |
C34 | C35 | C36 | 113.6° | 120.0° |
C34 | C35 | H35 | 129.5° | 120.0° |
H341 | C34 | H342 | 100.3° | 109.5° |
C36 | C35 | H35 | 116.9° | 120.0° |
C35 | C36 | N36 | 116.4° | 120.0° |
C35 | C36 | H36 | 118.5° | 120.0° |
N36 | C36 | H36 | 125.1° | 120.0° |
C36 | N36 | C47 | 125.2° | 120.0° |
C36 | N36 | C37 | 116.0° | 120.0° |
C47 | N36 | C37 | 118.7° | 120.0° |
N36 | C47 | H471 | 125.2° | 109.5° |
N36 | C47 | H472 | 106.7° | 109.4° |
N36 | C47 | H473 | 106.7° | 109.5° |
N36 | C37 | O37 | 124.4° | 120.0° |
N36 | C37 | H37 | 127.4° | 120.0° |
H471 | C47 | H472 | 106.6° | 109.5° |
H471 | C47 | H473 | 106.6° | 109.5° |
H472 | C47 | H473 | 102.9° | 109.5° |
O37 | C37 | H37 | 108.2° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1 | C1 | O25 | C2 | 177.9° | 179.1° |
O1 | C1 | O25 | C25 | 5.2° | 83.2° |
O1 | C1 | C2 | C3 | 3.0° | 8.7° |
O1 | C1 | C2 | H2 | 177.1° | 170.2° |
O25 | C1 | C2 | C3 | 174.9° | 170.4° |
O25 | C1 | C2 | H2 | 5.1° | 10.7° |
C1 | O25 | C25 | C24 | 115.1° | 138.1° |
C1 | O25 | C25 | C26 | 129.6° | 17.9° |
C1 | O25 | C25 | H25 | 7.2° | 102.5° |
C2 | C1 | O25 | C25 | 172.7° | 95.9° |
C1 | C2 | C3 | H2 | 180.0° | 178.9° |
C1 | C2 | C3 | C4 | 178.4° | 177.6° |
C1 | C2 | C3 | H3 | 1.6° | 2.6° |
O25 | C25 | C24 | C23 | 71.5° | 170.9° |
O25 | C25 | C24 | C43 | 179.8° | 50.1° |
O25 | C25 | C24 | C26 | 112.7° | 120.5° |
O25 | C25 | C24 | H25 | 124.4° | 119.5° |
O25 | C25 | C24 | H24 | 55.4° | 68.8° |
O25 | C25 | C26 | H25 | 124.3° | 120.5° |
O25 | C25 | C26 | C44 | 49.6° | 44.8° |
O25 | C25 | C26 | C27 | 69.3° | 164.8° |
O25 | C25 | C26 | H26 | 168.8° | 75.2° |
C2 | C3 | C4 | H3 | 180.0° | 179.9° |
C2 | C3 | C4 | C5 | 176.9° | 174.7° |
C2 | C3 | C4 | H4 | 3.1° | 5.7° |
H2 | C2 | C3 | C4 | 1.5° | 3.5° |
H2 | C2 | C3 | H3 | 178.5° | 176.4° |
C3 | C4 | C5 | H4 | 180.0° | 179.5° |
C3 | C4 | C5 | C38 | 1.6° | 0.3° |
C3 | C4 | C5 | C6 | 178.7° | 179.7° |
H3 | C3 | C4 | C5 | 3.1° | 5.4° |
H3 | C3 | C4 | H4 | 176.9° | 174.1° |
C4 | C5 | C38 | C6 | 179.7° | 179.4° |
C4 | C5 | C38 | H381 | 179.9° | 0.0° |
C4 | C5 | C38 | H382 | 54.7° | 120.0° |
C4 | C5 | C38 | H383 | 54.8° | 120.0° |
C4 | C5 | C6 | C7 | 109.2° | 76.1° |
C4 | C5 | C6 | H61 | 125.5° | 43.7° |
C4 | C5 | C6 | H62 | 16.1° | 163.3° |
H4 | C4 | C5 | C38 | 178.5° | 179.8° |
H4 | C4 | C5 | C6 | 1.2° | 0.8° |
C5 | C38 | H381 | H382 | 125.3° | 119.9° |
C5 | C38 | H381 | H383 | 125.2° | 120.0° |
C5 | C38 | H382 | H383 | 112.7° | 120.0° |
C38 | C5 | C6 | C7 | 70.5° | 103.3° |
C38 | C5 | C6 | H61 | 54.8° | 136.9° |
C38 | C5 | C6 | H62 | 164.2° | 17.3° |
C6 | C5 | C38 | H381 | 0.4° | 179.4° |
C6 | C5 | C38 | H382 | 125.0° | 59.4° |
C6 | C5 | C38 | H383 | 125.5° | 60.6° |
C5 | C6 | C7 | H61 | 125.3° | 119.6° |
C5 | C6 | C7 | H62 | 125.3° | 120.3° |
C5 | C6 | H61 | H62 | 117.5° | 119.6° |
C5 | C6 | C7 | O7 | 76.1° | 130.4° |
C5 | C6 | C7 | C8 | 166.1° | 109.4° |
C5 | C6 | C7 | H7 | 46.2° | 10.8° |
H381 | C38 | H382 | H383 | 112.6° | 120.1° |
C7 | C6 | H61 | H62 | 117.6° | 120.4° |
C6 | C7 | O7 | C8 | 116.2° | 120.6° |
C6 | C7 | O7 | H7 | 123.8° | 119.8° |
C6 | C7 | C8 | H7 | 124.2° | 120.4° |
C6 | C7 | O7 | C48 | 165.3° | 90.1° |
C6 | C7 | C8 | C9 | 69.8° | 152.4° |
C6 | C7 | C8 | H81 | 164.9° | 32.7° |
C6 | C7 | C8 | H82 | 55.5° | 87.2° |
H61 | C6 | C7 | O7 | 49.2° | 10.9° |
H61 | C6 | C7 | C8 | 68.6° | 131.0° |
H61 | C6 | C7 | H7 | 171.5° | 108.8° |
H62 | C6 | C7 | O7 | 158.6° | 109.3° |
H62 | C6 | C7 | C8 | 40.8° | 10.9° |
H62 | C6 | C7 | H7 | 79.1° | 131.1° |
O7 | C7 | C8 | H7 | 122.9° | 119.5° |
C7 | O7 | C48 | H481 | 180.0° | 60.0° |
C7 | O7 | C48 | H482 | 54.8° | 60.0° |
C7 | O7 | C48 | H483 | 54.8° | 180.0° |
O7 | C7 | C8 | C9 | 177.4° | 32.3° |
O7 | C7 | C8 | H81 | 52.1° | 87.4° |
O7 | C7 | C8 | H82 | 57.4° | 152.8° |
C8 | C7 | O7 | C48 | 78.5° | 149.3° |
C7 | C8 | C9 | H81 | 125.3° | 119.8° |
C7 | C8 | C9 | H82 | 125.2° | 120.5° |
C7 | C8 | H81 | H82 | 116.9° | 120.1° |
C7 | C8 | C9 | C39 | 116.5° | 112.7° |
C7 | C8 | C9 | C10 | 62.5° | 68.1° |
H7 | C7 | O7 | C48 | 41.5° | 29.8° |
H7 | C7 | C8 | C9 | 54.4° | 87.2° |
H7 | C7 | C8 | H81 | 70.9° | 153.1° |
H7 | C7 | C8 | H82 | 179.7° | 33.3° |
O7 | C48 | H481 | H482 | 125.2° | 120.0° |
O7 | C48 | H481 | H483 | 125.2° | 119.9° |
O7 | C48 | H482 | H483 | 117.4° | 119.9° |
H481 | C48 | H482 | H483 | 117.3° | 120.0° |
C9 | C8 | H81 | H82 | 117.0° | 119.8° |
C8 | C9 | C39 | C10 | 179.0° | 179.2° |
C8 | C9 | C39 | C40 | 179.1° | 179.5° |
C8 | C9 | C39 | H39 | 0.9° | 0.1° |
C8 | C9 | C10 | C11 | 160.2° | 148.4° |
C8 | C9 | C10 | H101 | 74.5° | 91.0° |
C8 | C9 | C10 | H102 | 34.9° | 28.4° |
H81 | C8 | C9 | C39 | 118.2° | 7.1° |
H81 | C8 | C9 | C10 | 62.8° | 172.1° |
H82 | C8 | C9 | C39 | 8.7° | 126.7° |
H82 | C8 | C9 | C10 | 172.3° | 52.5° |
C9 | C39 | C40 | H39 | 180.0° | 179.6° |
C9 | C39 | C40 | O40 | 178.9° | 167.3° |
C9 | C39 | C40 | O11 | 1.5° | 13.9° |
C39 | C9 | C10 | C11 | 20.8° | 32.4° |
C39 | C9 | C10 | H101 | 104.5° | 88.2° |
C39 | C9 | C10 | H102 | 146.1° | 152.4° |
C10 | C9 | C39 | C40 | 0.1° | 1.3° |
C10 | C9 | C39 | H39 | 179.8° | 179.1° |
C9 | C10 | C11 | H101 | 125.2° | 120.5° |
C9 | C10 | C11 | H102 | 125.3° | 119.9° |
C9 | C10 | H101 | H102 | 116.3° | 119.3° |
C9 | C10 | C11 | O11 | 39.2° | 49.2° |
C9 | C10 | C11 | C12 | 158.4° | 169.2° |
C9 | C10 | C11 | H11 | 82.4° | 72.0° |
C39 | C40 | O40 | O11 | 179.6° | 178.8° |
C39 | C40 | O11 | C11 | 19.2° | 6.2° |
H39 | C39 | C40 | O40 | 1.1° | 13.1° |
H39 | C39 | C40 | O11 | 178.5° | 165.7° |
O40 | C40 | O11 | C11 | 160.4° | 172.6° |
C40 | O11 | C11 | C10 | 39.4° | 38.0° |
C40 | O11 | C11 | C12 | 165.9° | 159.0° |
C40 | O11 | C11 | H11 | 73.9° | 83.4° |
C11 | C10 | H101 | H102 | 116.4° | 119.6° |
C10 | C11 | O11 | C12 | 126.6° | 121.0° |
C10 | C11 | O11 | H11 | 113.3° | 121.4° |
C10 | C11 | C12 | H11 | 113.1° | 119.7° |
C10 | C11 | C12 | C41 | 166.2° | 168.5° |
C10 | C11 | C12 | C13 | 45.8° | 71.0° |
C10 | C11 | C12 | H12 | 71.0° | 49.2° |
H101 | C10 | C11 | O11 | 86.0° | 71.2° |
H101 | C10 | C11 | C12 | 33.1° | 48.7° |
H101 | C10 | C11 | H11 | 152.4° | 167.5° |
H102 | C10 | C11 | O11 | 164.5° | 169.2° |
H102 | C10 | C11 | C12 | 76.4° | 70.9° |
H102 | C10 | C11 | H11 | 42.9° | 47.9° |
O11 | C11 | C12 | H11 | 122.3° | 118.4° |
O11 | C11 | C12 | C41 | 69.2° | 46.5° |
O11 | C11 | C12 | C13 | 170.4° | 167.0° |
O11 | C11 | C12 | H12 | 53.7° | 72.7° |
C11 | C12 | C41 | C13 | 128.3° | 120.6° |
C11 | C12 | C41 | H12 | 113.8° | 119.3° |
C11 | C12 | C13 | H12 | 113.2° | 120.3° |
C11 | C12 | C41 | H411 | 180.0° | 60.0° |
C11 | C12 | C41 | H412 | 54.7° | 180.0° |
C11 | C12 | C41 | H413 | 54.7° | 60.0° |
C11 | C12 | C13 | O13 | 51.2° | 55.0° |
C11 | C12 | C13 | C14 | 171.8° | 174.8° |
C11 | C12 | C13 | H13 | 66.3° | 65.0° |
H11 | C11 | C12 | C41 | 53.1° | 71.9° |
H11 | C11 | C12 | C13 | 67.3° | 48.7° |
H11 | C11 | C12 | H12 | 175.9° | 168.9° |
C41 | C12 | C13 | H12 | 123.3° | 120.0° |
C12 | C41 | H411 | H412 | 125.2° | 120.1° |
C12 | C41 | H411 | H413 | 125.2° | 120.0° |
C12 | C41 | H412 | H413 | 117.6° | 120.0° |
C41 | C12 | C13 | O13 | 72.3° | 64.7° |
C41 | C12 | C13 | C14 | 64.7° | 55.1° |
C41 | C12 | C13 | H13 | 170.2° | 175.3° |
C13 | C12 | C41 | H411 | 51.8° | 179.4° |
C13 | C12 | C41 | H412 | 73.5° | 59.4° |
C13 | C12 | C41 | H413 | 177.0° | 60.6° |
C12 | C13 | O13 | C14 | 143.7° | 120.0° |
C12 | C13 | O13 | H13 | 103.0° | 120.3° |
C12 | C13 | C14 | H13 | 99.0° | 120.3° |
C12 | C13 | O13 | C49 | 157.6° | 150.0° |
C12 | C13 | C14 | C15 | 67.2° | 137.7° |
C12 | C13 | C14 | H141 | 167.6° | 102.1° |
C12 | C13 | C14 | H142 | 58.0° | 18.1° |
H12 | C12 | C41 | H411 | 66.1° | 59.4° |
H12 | C12 | C41 | H412 | 168.6° | 60.7° |
H12 | C12 | C41 | H413 | 59.1° | 179.3° |
H12 | C12 | C13 | O13 | 164.5° | 175.3° |
H12 | C12 | C13 | C14 | 58.6° | 64.9° |
H12 | C12 | C13 | H13 | 46.9° | 55.3° |
H411 | C41 | H412 | H413 | 117.8° | 120.0° |
O13 | C13 | C14 | H13 | 121.0° | 119.6° |
C13 | O13 | C49 | H491 | 179.9° | 180.0° |
C13 | O13 | C49 | H492 | 54.7° | 60.0° |
C13 | O13 | C49 | H493 | 54.7° | 60.0° |
O13 | C13 | C14 | C15 | 152.9° | 102.2° |
O13 | C13 | C14 | H141 | 27.6° | 17.9° |
O13 | C13 | C14 | H142 | 81.9° | 138.1° |
C14 | C13 | O13 | C49 | 58.7° | 90.0° |
C13 | C14 | C15 | H141 | 125.2° | 120.4° |
C13 | C14 | C15 | H142 | 125.2° | 120.7° |
C13 | C14 | H141 | H142 | 116.3° | 120.7° |
C13 | C14 | C15 | O15 | 162.5° | 141.7° |
C13 | C14 | C15 | C16 | 81.9° | 98.7° |
C13 | C14 | C15 | H15 | 39.4° | 21.7° |
H13 | C13 | O13 | C49 | 54.6° | 29.8° |
H13 | C13 | C14 | C15 | 31.8° | 17.4° |
H13 | C13 | C14 | H141 | 93.4° | 137.5° |
H13 | C13 | C14 | H142 | 157.1° | 102.2° |
O13 | C49 | H491 | H492 | 125.4° | 120.0° |
O13 | C49 | H491 | H493 | 125.2° | 120.0° |
O13 | C49 | H492 | H493 | 106.3° | 119.9° |
H491 | C49 | H492 | H493 | 106.2° | 120.0° |
C15 | C14 | H141 | H142 | 116.4° | 118.2° |
C14 | C15 | O15 | C16 | 109.1° | 120.0° |
C14 | C15 | O15 | H15 | 128.1° | 120.5° |
C14 | C15 | C16 | H15 | 128.8° | 120.9° |
C14 | C15 | O15 | C50 | 177.8° | 150.0° |
C14 | C15 | C16 | C17 | 119.8° | 163.7° |
C14 | C15 | C16 | H16 | 60.2° | 17.5° |
H141 | C14 | C15 | O15 | 72.3° | 97.9° |
H141 | C14 | C15 | C16 | 43.3° | 21.7° |
H141 | C14 | C15 | H15 | 164.6° | 142.1° |
H142 | C14 | C15 | O15 | 37.3° | 20.9° |
H142 | C14 | C15 | C16 | 152.8° | 140.6° |
H142 | C14 | C15 | H15 | 85.8° | 99.0° |
O15 | C15 | C16 | H15 | 125.3° | 119.4° |
C15 | O15 | C50 | H501 | 180.0° | 180.0° |
C15 | O15 | C50 | H502 | 54.7° | 59.9° |
C15 | O15 | C50 | H503 | 54.7° | 60.0° |
O15 | C15 | C16 | C17 | 134.3° | 76.5° |
O15 | C15 | C16 | H16 | 45.7° | 102.3° |
C16 | C15 | O15 | C50 | 73.2° | 90.0° |
C15 | C16 | C17 | H16 | 180.0° | 178.8° |
C15 | C16 | C17 | C18 | 178.5° | 178.9° |
C15 | C16 | C17 | H17 | 1.6° | 1.5° |
H15 | C15 | O15 | C50 | 49.7° | 29.5° |
H15 | C15 | C16 | C17 | 9.0° | 42.9° |
H15 | C15 | C16 | H16 | 171.0° | 138.3° |
O15 | C50 | H501 | H502 | 125.3° | 120.0° |
O15 | C50 | H501 | H503 | 125.3° | 120.0° |
O15 | C50 | H502 | H503 | 115.3° | 119.9° |
H501 | C50 | H502 | H503 | 115.3° | 120.1° |
C16 | C17 | C18 | H17 | 180.0° | 179.7° |
C16 | C17 | C18 | C42 | 120.7° | 34.1° |
C16 | C17 | C18 | C19 | 113.3° | 153.9° |
C16 | C17 | C18 | H18 | 2.2° | 87.1° |
H16 | C16 | C17 | C18 | 1.5° | 2.4° |
H16 | C16 | C17 | H17 | 178.4° | 177.3° |
C17 | C18 | C42 | C19 | 127.0° | 118.7° |
C17 | C18 | C42 | H18 | 117.3° | 121.0° |
C17 | C18 | C19 | H18 | 116.9° | 119.2° |
C17 | C18 | C42 | H421 | 180.0° | 72.3° |
C17 | C18 | C42 | H422 | 54.8° | 167.8° |
C17 | C18 | C42 | H423 | 54.7° | 47.8° |
C17 | C18 | C19 | O19 | 176.7° | 57.1° |
C17 | C18 | C19 | C20 | 60.5° | 178.6° |
C17 | C18 | C19 | H19 | 61.2° | 61.0° |
H17 | C17 | C18 | C42 | 59.2° | 146.2° |
H17 | C17 | C18 | C19 | 66.7° | 26.5° |
H17 | C17 | C18 | H18 | 177.8° | 92.5° |
C42 | C18 | C19 | H18 | 118.3° | 120.8° |
C18 | C42 | H421 | H422 | 125.3° | 119.9° |
C18 | C42 | H421 | H423 | 125.3° | 120.0° |
C18 | C42 | H422 | H423 | 118.1° | 120.0° |
C42 | C18 | C19 | O19 | 58.5° | 62.9° |
C42 | C18 | C19 | C20 | 174.7° | 58.6° |
C42 | C18 | C19 | H19 | 63.7° | 179.0° |
C19 | C18 | C42 | H421 | 53.0° | 169.0° |
C19 | C18 | C42 | H422 | 72.3° | 49.1° |
C19 | C18 | C42 | H423 | 178.2° | 70.9° |
C18 | C19 | O19 | C20 | 118.2° | 122.4° |
C18 | C19 | O19 | H19 | 120.3° | 117.8° |
C18 | C19 | C20 | H19 | 120.5° | 119.7° |
C18 | C19 | O19 | C51 | 123.9° | 29.0° |
C18 | C19 | C20 | C21 | 169.1° | 179.7° |
C18 | C19 | C20 | H201 | 65.7° | 61.3° |
C18 | C19 | C20 | H202 | 43.9° | 59.5° |
H18 | C18 | C42 | H421 | 62.7° | 48.7° |
H18 | C18 | C42 | H422 | 172.1° | 71.2° |
H18 | C18 | C42 | H423 | 62.6° | 168.8° |
H18 | C18 | C19 | O19 | 59.8° | 176.3° |
H18 | C18 | C19 | C20 | 56.4° | 62.2° |
H18 | C18 | C19 | H19 | 178.1° | 58.2° |
H421 | C42 | H422 | H423 | 118.0° | 120.1° |
O19 | C19 | C20 | H19 | 122.1° | 119.5° |
C19 | O19 | C51 | H511 | 180.0° | 172.5° |
C19 | O19 | C51 | H512 | 54.7° | 52.5° |
C19 | O19 | C51 | H513 | 54.7° | 67.5° |
O19 | C19 | C20 | C21 | 73.4° | 59.5° |
O19 | C19 | C20 | H201 | 51.8° | 59.6° |
O19 | C19 | C20 | H202 | 161.3° | 179.7° |
C20 | C19 | O19 | C51 | 118.0° | 93.4° |
C19 | C20 | C21 | H201 | 125.2° | 120.6° |
C19 | C20 | C21 | H202 | 125.2° | 120.7° |
C19 | C20 | H201 | H202 | 114.5° | 121.1° |
C19 | C20 | C21 | O21 | 162.4° | 34.9° |
C19 | C20 | C21 | C22 | 72.6° | 85.9° |
C19 | C20 | C21 | H21 | 42.0° | 154.9° |
H19 | C19 | O19 | C51 | 3.5° | 146.8° |
H19 | C19 | C20 | C21 | 48.7° | 60.0° |
H19 | C19 | C20 | H201 | 173.9° | 179.0° |
H19 | C19 | C20 | H202 | 76.6° | 60.2° |
O19 | C51 | H511 | H512 | 125.3° | 120.0° |
O19 | C51 | H511 | H513 | 125.3° | 120.0° |
O19 | C51 | H512 | H513 | 115.3° | 120.0° |
H511 | C51 | H512 | H513 | 115.2° | 120.0° |
C21 | C20 | H201 | H202 | 114.5° | 118.5° |
C20 | C21 | O21 | C22 | 129.7° | 120.2° |
C20 | C21 | O21 | H21 | 114.6° | 119.7° |
C20 | C21 | C22 | H21 | 113.6° | 119.2° |
C20 | C21 | O21 | C52 | 155.0° | 136.6° |
C20 | C21 | C22 | C23 | 130.4° | 126.4° |
C20 | C21 | C22 | H22 | 49.6° | 54.1° |
H201 | C20 | C21 | O21 | 37.1° | 155.5° |
H201 | C20 | C21 | C22 | 162.2° | 34.7° |
H201 | C20 | C21 | H21 | 83.2° | 84.5° |
H202 | C20 | C21 | O21 | 72.4° | 85.9° |
H202 | C20 | C21 | C22 | 52.7° | 153.4° |
H202 | C20 | C21 | H21 | 167.3° | 34.1° |
O21 | C21 | C22 | H21 | 120.5° | 120.3° |
C21 | O21 | C52 | H521 | 180.0° | 160.7° |
C21 | O21 | C52 | H522 | 54.7° | 40.6° |
C21 | O21 | C52 | H523 | 54.7° | 79.4° |
O21 | C21 | C22 | C23 | 103.8° | 5.9° |
O21 | C21 | C22 | H22 | 76.2° | 174.6° |
C22 | C21 | O21 | C52 | 75.3° | 103.2° |
C21 | C22 | C23 | H22 | 180.0° | 179.5° |
C21 | C22 | C23 | C24 | 177.2° | 178.4° |
C21 | C22 | C23 | H23 | 2.8° | 2.8° |
H21 | C21 | O21 | C52 | 40.5° | 16.9° |
H21 | C21 | C22 | C23 | 16.7° | 114.4° |
H21 | C21 | C22 | H22 | 163.2° | 65.1° |
O21 | C52 | H521 | H522 | 125.3° | 120.0° |
O21 | C52 | H521 | H523 | 125.3° | 120.0° |
O21 | C52 | H522 | H523 | 110.9° | 120.0° |
H521 | C52 | H522 | H523 | 110.9° | 120.0° |
C22 | C23 | C24 | H23 | 180.0° | 178.8° |
C22 | C23 | C24 | C43 | 125.7° | 46.7° |
C22 | C23 | C24 | C25 | 119.0° | 167.0° |
C22 | C23 | C24 | H24 | 2.6° | 72.9° |
H22 | C22 | C23 | C24 | 2.8° | 2.1° |
H22 | C22 | C23 | H23 | 177.2° | 176.7° |
C23 | C24 | C43 | C25 | 111.2° | 121.5° |
C23 | C24 | C43 | H24 | 126.4° | 119.7° |
C23 | C24 | C25 | H24 | 126.9° | 120.3° |
C23 | C24 | C43 | H431 | 180.0° | 65.0° |
C23 | C24 | C43 | H432 | 54.8° | 175.1° |
C23 | C24 | C43 | H433 | 54.7° | 55.0° |
C23 | C24 | C25 | C26 | 175.8° | 50.4° |
C23 | C24 | C25 | H25 | 52.9° | 69.6° |
H23 | C23 | C24 | C43 | 54.3° | 134.5° |
H23 | C23 | C24 | C25 | 61.0° | 14.2° |
H23 | C23 | C24 | H24 | 177.4° | 105.9° |
C43 | C24 | C25 | H24 | 124.5° | 118.9° |
C24 | C43 | H431 | H432 | 125.2° | 119.9° |
C24 | C43 | H431 | H433 | 125.3° | 120.1° |
C24 | C43 | H432 | H433 | 121.1° | 120.1° |
C43 | C24 | C25 | C26 | 67.1° | 70.4° |
C43 | C24 | C25 | H25 | 55.8° | 169.5° |
C25 | C24 | C43 | H431 | 68.8° | 173.4° |
C25 | C24 | C43 | H432 | 56.4° | 53.5° |
C25 | C24 | C43 | H433 | 165.9° | 66.5° |
C24 | C25 | C26 | H25 | 122.6° | 119.9° |
C24 | C25 | C26 | C44 | 63.5° | 164.4° |
C24 | C25 | C26 | C27 | 177.6° | 75.6° |
C24 | C25 | C26 | H26 | 55.7° | 44.5° |
H24 | C24 | C43 | H431 | 53.7° | 54.7° |
H24 | C24 | C43 | H432 | 178.8° | 65.2° |
H24 | C24 | C43 | H433 | 71.7° | 174.7° |
H24 | C24 | C25 | C26 | 57.3° | 170.7° |
H24 | C24 | C25 | H25 | 179.8° | 50.7° |
H431 | C43 | H432 | H433 | 121.3° | 120.0° |
C25 | C26 | C44 | C27 | 120.3° | 120.0° |
C25 | C26 | C44 | H26 | 117.7° | 120.0° |
C25 | C26 | C27 | H26 | 117.7° | 120.0° |
C25 | C26 | C44 | H441 | 180.0° | 35.1° |
C25 | C26 | C44 | H442 | 54.7° | 155.1° |
C25 | C26 | C44 | H443 | 54.8° | 84.8° |
C25 | C26 | C27 | O27 | 63.7° | 161.7° |
C25 | C26 | C27 | C28 | 178.2° | 41.7° |
C25 | C26 | C27 | H27 | 61.3° | 78.3° |
H25 | C25 | C26 | C44 | 173.9° | 75.7° |
H25 | C25 | C26 | C27 | 55.0° | 44.4° |
H25 | C25 | C26 | H26 | 66.9° | 164.4° |
C44 | C26 | C27 | H26 | 119.2° | 120.0° |
C26 | C44 | H441 | H442 | 125.3° | 120.0° |
C26 | C44 | H441 | H443 | 125.2° | 120.0° |
C26 | C44 | H442 | H443 | 116.6° | 120.1° |
C44 | C26 | C27 | O27 | 173.2° | 41.7° |
C44 | C26 | C27 | C28 | 58.7° | 78.3° |
C44 | C26 | C27 | H27 | 61.8° | 161.6° |
C27 | C26 | C44 | H441 | 59.7° | 84.9° |
C27 | C26 | C44 | H442 | 175.1° | 35.1° |
C27 | C26 | C44 | H443 | 65.6° | 155.1° |
C26 | C27 | O27 | C28 | 120.2° | 120.0° |
C26 | C27 | O27 | H27 | 119.9° | 120.0° |
C26 | C27 | C28 | H27 | 120.4° | 120.0° |
C26 | C27 | O27 | C53 | 135.5° | 88.6° |
C26 | C27 | C28 | C45 | 179.6° | 85.0° |
C26 | C27 | C28 | C29 | 55.1° | 154.9° |
C26 | C27 | C28 | H28 | 59.1° | 35.0° |
H26 | C26 | C44 | H441 | 62.3° | 155.1° |
H26 | C26 | C44 | H442 | 63.0° | 84.9° |
H26 | C26 | C44 | H443 | 172.5° | 35.1° |
H26 | C26 | C27 | O27 | 54.0° | 78.3° |
H26 | C26 | C27 | C28 | 60.5° | 161.7° |
H26 | C26 | C27 | H27 | 179.0° | 41.7° |
H441 | C44 | H442 | H443 | 116.6° | 119.9° |
O27 | C27 | C28 | H27 | 124.9° | 120.0° |
C27 | O27 | C53 | H531 | 180.0° | 50.4° |
C27 | O27 | C53 | H532 | 54.7° | 170.4° |
C27 | O27 | C53 | H533 | 54.7° | 69.6° |
O27 | C27 | C28 | C45 | 64.8° | 155.0° |
O27 | C27 | C28 | C29 | 59.6° | 34.9° |
O27 | C27 | C28 | H28 | 173.8° | 85.0° |
C28 | C27 | O27 | C53 | 104.3° | 151.4° |
C27 | C28 | C45 | C29 | 129.8° | 120.1° |
C27 | C28 | C45 | H28 | 114.8° | 120.0° |
C27 | C28 | C29 | H28 | 113.7° | 120.0° |
C27 | C28 | C45 | H451 | 180.0° | 68.3° |
C27 | C28 | C45 | H452 | 54.7° | 171.7° |
C27 | C28 | C45 | H453 | 54.8° | 51.6° |
C27 | C28 | C29 | C30 | 176.5° | 163.5° |
C27 | C28 | C29 | H291 | 58.2° | 76.5° |
C27 | C28 | C29 | H292 | 51.2° | 43.5° |
H27 | C27 | O27 | C53 | 15.6° | 31.4° |
H27 | C27 | C28 | C45 | 60.1° | 35.0° |
H27 | C27 | C28 | C29 | 175.5° | 85.0° |
H27 | C27 | C28 | H28 | 61.3° | 155.0° |
O27 | C53 | H531 | H532 | 125.3° | 120.0° |
O27 | C53 | H531 | H533 | 125.3° | 120.0° |
O27 | C53 | H532 | H533 | 116.1° | 120.0° |
H531 | C53 | H532 | H533 | 116.0° | 120.1° |
C45 | C28 | C29 | H28 | 121.5° | 120.0° |
C28 | C45 | H451 | H452 | 125.3° | 120.0° |
C28 | C45 | H451 | H453 | 125.3° | 120.0° |
C28 | C45 | H452 | H453 | 118.3° | 120.0° |
C45 | C28 | C29 | C30 | 58.7° | 76.4° |
C45 | C28 | C29 | H291 | 66.6° | 43.6° |
C45 | C28 | C29 | H292 | 176.0° | 163.6° |
C29 | C28 | C45 | H451 | 50.2° | 51.7° |
C29 | C28 | C45 | H452 | 175.4° | 68.3° |
C29 | C28 | C45 | H453 | 75.1° | 171.7° |
C28 | C29 | C30 | H291 | 125.2° | 119.9° |
C28 | C29 | C30 | H292 | 125.3° | 120.0° |
C28 | C29 | H291 | H292 | 116.6° | 119.9° |
C28 | C29 | C30 | C31 | 171.3° | 180.0° |
C28 | C29 | C30 | H301 | 46.0° | 60.1° |
C28 | C29 | C30 | H302 | 63.4° | 60.0° |
H28 | C28 | C45 | H451 | 65.2° | 171.7° |
H28 | C28 | C45 | H452 | 60.1° | 51.7° |
H28 | C28 | C45 | H453 | 169.6° | 68.4° |
H28 | C28 | C29 | C30 | 62.8° | 43.5° |
H28 | C28 | C29 | H291 | 171.9° | 163.5° |
H28 | C28 | C29 | H292 | 62.5° | 76.5° |
H451 | C45 | H452 | H453 | 118.1° | 120.0° |
C30 | C29 | H291 | H292 | 116.7° | 120.1° |
C29 | C30 | C31 | H301 | 125.3° | 120.0° |
C29 | C30 | C31 | H302 | 125.2° | 120.0° |
C29 | C30 | H301 | H302 | 118.3° | 120.1° |
C29 | C30 | C31 | O31 | 1.4° | 0.0° |
C29 | C30 | C31 | C32 | 178.4° | 180.0° |
H291 | C29 | C30 | C31 | 63.5° | 60.1° |
H291 | C29 | C30 | H301 | 171.2° | 180.0° |
H291 | C29 | C30 | H302 | 61.8° | 59.9° |
H292 | C29 | C30 | C31 | 46.0° | 60.0° |
H292 | C29 | C30 | H301 | 79.3° | 59.9° |
H292 | C29 | C30 | H302 | 171.3° | 180.0° |
C31 | C30 | H301 | H302 | 118.4° | 120.0° |
C30 | C31 | O31 | C32 | 179.7° | 180.0° |
C30 | C31 | C32 | C46 | 127.9° | 85.0° |
C30 | C31 | C32 | C33 | 116.8° | 155.0° |
C30 | C31 | C32 | H32 | 5.5° | 34.9° |
H301 | C30 | C31 | O31 | 123.9° | 120.0° |
H301 | C30 | C31 | C32 | 56.4° | 60.1° |
H302 | C30 | C31 | O31 | 126.6° | 120.0° |
H302 | C30 | C31 | C32 | 53.1° | 60.0° |
O31 | C31 | C32 | C46 | 52.4° | 95.0° |
O31 | C31 | C32 | C33 | 63.0° | 25.0° |
O31 | C31 | C32 | H32 | 174.8° | 145.0° |
C31 | C32 | C46 | C33 | 113.9° | 120.0° |
C31 | C32 | C46 | H32 | 123.6° | 120.0° |
C31 | C32 | C33 | H32 | 123.7° | 120.0° |
C31 | C32 | C46 | H461 | 180.0° | 60.0° |
C31 | C32 | C46 | H462 | 54.7° | 180.0° |
C31 | C32 | C46 | H463 | 54.7° | 60.0° |
C31 | C32 | C33 | O33 | 64.8° | 60.0° |
C31 | C32 | C33 | C34 | 179.8° | 180.0° |
C31 | C32 | C33 | H33 | 59.8° | 60.0° |
C46 | C32 | C33 | H32 | 122.7° | 120.0° |
C32 | C46 | H461 | H462 | 125.2° | 119.9° |
C32 | C46 | H461 | H463 | 125.2° | 120.0° |
C32 | C46 | H462 | H463 | 119.4° | 120.0° |
C46 | C32 | C33 | O33 | 178.5° | 180.0° |
C46 | C32 | C33 | C34 | 66.6° | 60.0° |
C46 | C32 | C33 | H33 | 53.9° | 60.0° |
C33 | C32 | C46 | H461 | 66.2° | 180.0° |
C33 | C32 | C46 | H462 | 59.2° | 60.1° |
C33 | C32 | C46 | H463 | 168.6° | 60.0° |
C32 | C33 | O33 | C34 | 115.5° | 120.0° |
C32 | C33 | O33 | H33 | 124.1° | 120.0° |
C32 | C33 | C34 | H33 | 125.3° | 120.0° |
C32 | C33 | O33 | C54 | 160.9° | 143.2° |
C32 | C33 | C34 | C35 | 53.2° | 179.2° |
C32 | C33 | C34 | H341 | 178.5° | 59.2° |
C32 | C33 | C34 | H342 | 72.0° | 60.8° |
H32 | C32 | C46 | H461 | 56.4° | 60.0° |
H32 | C32 | C46 | H462 | 178.3° | 60.0° |
H32 | C32 | C46 | H463 | 68.9° | 180.0° |
H32 | C32 | C33 | O33 | 58.9° | 60.0° |
H32 | C32 | C33 | C34 | 56.1° | 60.0° |
H32 | C32 | C33 | H33 | 176.6° | 180.0° |
H461 | C46 | H462 | H463 | 119.5° | 120.0° |
O33 | C33 | C34 | H33 | 125.6° | 120.0° |
C33 | O33 | C54 | H541 | 180.0° | 175.0° |
C33 | O33 | C54 | H542 | 54.7° | 55.1° |
C33 | O33 | C54 | H543 | 54.8° | 65.0° |
O33 | C33 | C34 | C35 | 55.9° | 60.9° |
O33 | C33 | C34 | H341 | 69.4° | 179.2° |
O33 | C33 | C34 | H342 | 178.9° | 59.2° |
C34 | C33 | O33 | C54 | 83.5° | 96.8° |
C33 | C34 | C35 | H341 | 125.2° | 119.9° |
C33 | C34 | C35 | H342 | 125.2° | 120.0° |
C33 | C34 | H341 | H342 | 115.7° | 120.0° |
C33 | C34 | C35 | C36 | 114.7° | 127.4° |
C33 | C34 | C35 | H35 | 65.2° | 52.6° |
H33 | C33 | O33 | C54 | 36.8° | 23.2° |
H33 | C33 | C34 | C35 | 178.5° | 59.2° |
H33 | C33 | C34 | H341 | 56.3° | 60.8° |
H33 | C33 | C34 | H342 | 53.2° | 179.2° |
O33 | C54 | H541 | H542 | 125.2° | 120.0° |
O33 | C54 | H541 | H543 | 125.3° | 120.0° |
O33 | C54 | H542 | H543 | 117.7° | 120.0° |
H541 | C54 | H542 | H543 | 117.7° | 120.1° |
C35 | C34 | H341 | H342 | 115.8° | 120.1° |
C34 | C35 | C36 | H35 | 180.0° | 180.0° |
C34 | C35 | C36 | N36 | 179.7° | 180.0° |
C34 | C35 | C36 | H36 | 0.3° | 0.0° |
H341 | C34 | C35 | C36 | 120.0° | 7.5° |
H341 | C34 | C35 | H35 | 60.0° | 172.6° |
H342 | C34 | C35 | C36 | 10.5° | 112.6° |
H342 | C34 | C35 | H35 | 169.6° | 67.4° |
C35 | C36 | N36 | H36 | 180.0° | 180.0° |
C35 | C36 | N36 | C47 | 2.9° | 0.0° |
C35 | C36 | N36 | C37 | 173.5° | 180.0° |
H35 | C35 | C36 | N36 | 0.2° | 0.0° |
H35 | C35 | C36 | H36 | 179.8° | 180.0° |
C36 | N36 | C47 | C37 | 176.4° | 180.0° |
C36 | N36 | C47 | H471 | 180.0° | 90.0° |
C36 | N36 | C47 | H472 | 54.7° | 150.0° |
C36 | N36 | C47 | H473 | 54.7° | 30.0° |
C36 | N36 | C37 | O37 | 175.7° | 180.0° |
C36 | N36 | C37 | H37 | 4.3° | 0.0° |
H36 | C36 | N36 | C47 | 177.1° | 180.0° |
H36 | C36 | N36 | C37 | 6.4° | 0.0° |
N36 | C47 | H471 | H472 | 125.3° | 120.0° |
N36 | C47 | H471 | H473 | 125.4° | 120.0° |
N36 | C47 | H472 | H473 | 112.1° | 120.0° |
C47 | N36 | C37 | O37 | 1.0° | 0.0° |
C47 | N36 | C37 | H37 | 179.1° | 180.0° |
C37 | N36 | C47 | H471 | 3.6° | 90.0° |
C37 | N36 | C47 | H472 | 121.6° | 30.0° |
C37 | N36 | C47 | H473 | 128.9° | 150.0° |
N36 | C37 | O37 | H37 | 180.0° | 180.0° |
H471 | C47 | H472 | H473 | 112.0° | 120.0° |