A1AHF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | C18 | sing | 1.46Å | 1.44Å | |
| N | C17 | sing | 1.35Å | 1.48Å | |
| C | C1 | sing | 1.53Å | 1.57Å | |
| C | C72 | sing | 1.53Å | 1.56Å | |
| O | C17 | doub | 1.21Å | 1.18Å | |
| C1 | C2 | sing | 1.53Å | 1.56Å | |
| O1 | C20 | sing | 1.43Å | 1.38Å | |
| O1 | C19 | sing | 1.43Å | 1.43Å | |
| C2 | C3 | sing | 1.53Å | 1.56Å | |
| O2 | C24 | sing | 1.43Å | 1.47Å | |
| O2 | C20 | sing | 1.43Å | 1.47Å | |
| C3 | C4 | sing | 1.53Å | 1.56Å | |
| O3 | C25 | sing | 1.43Å | 1.41Å | |
| C4 | C5 | sing | 1.53Å | 1.56Å | |
| O4 | C23 | sing | 1.43Å | 1.46Å | |
| C5 | C6 | sing | 1.53Å | 1.58Å | |
| C6 | C7 | sing | 1.53Å | 1.57Å | |
| C7 | C8 | sing | 1.53Å | 1.55Å | |
| C8 | C9 | sing | 1.53Å | 1.56Å | |
| C9 | C10 | sing | 1.53Å | 1.56Å | |
| C10 | C11 | sing | 1.53Å | 1.56Å | |
| C11 | C12 | sing | 1.53Å | 1.55Å | |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| C13 | C14 | sing | 1.53Å | 1.55Å | |
| C14 | C15 | sing | 1.53Å | 1.55Å | |
| C15 | C16 | sing | 1.53Å | 1.56Å | |
| C16 | C17 | sing | 1.51Å | 1.55Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C18 | C54 | sing | 1.51Å | 1.52Å | |
| C20 | C21 | sing | 1.53Å | 1.54Å | |
| C21 | C22 | sing | 1.53Å | 1.48Å | |
| C21 | O27 | sing | 1.43Å | 1.44Å | |
| C22 | C23 | sing | 1.53Å | 1.48Å | |
| C22 | O26 | sing | 1.43Å | 1.48Å | |
| C23 | C24 | sing | 1.53Å | 1.54Å | |
| C24 | C25 | sing | 1.53Å | 1.50Å | |
| O28 | C54 | doub | 1.21Å | 1.19Å | |
| C54 | C55 | sing | 1.51Å | 1.52Å | |
| C55 | C56 | sing | 1.53Å | 1.51Å | |
| C56 | C57 | sing | 1.53Å | 1.52Å | |
| C57 | C58 | sing | 1.53Å | 1.52Å | |
| C58 | C59 | sing | 1.53Å | 1.53Å | |
| C59 | C60 | sing | 1.53Å | 1.54Å | |
| C60 | C61 | sing | 1.53Å | 1.55Å | |
| C61 | C62 | sing | 1.53Å | 1.55Å | |
| C62 | C63 | sing | 1.53Å | 1.55Å | |
| C63 | C64 | sing | 1.53Å | 1.54Å | |
| C64 | C65 | sing | 1.53Å | 1.53Å | |
| C65 | C66 | sing | 1.53Å | 1.54Å | |
| C66 | C67 | sing | 1.53Å | 1.54Å | |
| C67 | C68 | sing | 1.53Å | 1.53Å | |
| C68 | C69 | sing | 1.53Å | 1.53Å | |
| C70 | C71 | sing | 1.53Å | 1.54Å | |
| C70 | C73 | sing | 1.53Å | 1.55Å | |
| C71 | C72 | sing | 1.53Å | 1.57Å | |
| C | HC3 | sing | 1.09Å | 1.10Å | |
| C | HC2 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C4 | H42 | sing | 1.09Å | 1.10Å | |
| C5 | H52 | sing | 1.09Å | 1.10Å | |
| C5 | H51 | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å | |
| C8 | H82 | sing | 1.09Å | 1.10Å | |
| C8 | H81 | sing | 1.09Å | 1.10Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| N | HN1 | sing | 0.97Å | 1.00Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| O27 | H271 | sing | 0.97Å | 0.95Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| O26 | H261 | sing | 0.97Å | 0.95Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| O3 | H33 | sing | 0.97Å | 0.95Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| O4 | H43 | sing | 0.97Å | 0.95Å | |
| C55 | H551 | sing | 1.09Å | 1.10Å | |
| C55 | H552 | sing | 1.09Å | 1.10Å | |
| C56 | H561 | sing | 1.09Å | 1.10Å | |
| C56 | H562 | sing | 1.09Å | 1.10Å | |
| C57 | H571 | sing | 1.09Å | 1.10Å | |
| C57 | H572 | sing | 1.09Å | 1.10Å | |
| C58 | H581 | sing | 1.09Å | 1.10Å | |
| C58 | H582 | sing | 1.09Å | 1.10Å | |
| C59 | H591 | sing | 1.09Å | 1.10Å | |
| C59 | H592 | sing | 1.09Å | 1.10Å | |
| C60 | H601 | sing | 1.09Å | 1.10Å | |
| C60 | H602 | sing | 1.09Å | 1.10Å | |
| C61 | H612 | sing | 1.09Å | 1.10Å | |
| C61 | H611 | sing | 1.09Å | 1.10Å | |
| C62 | H622 | sing | 1.09Å | 1.10Å | |
| C62 | H621 | sing | 1.09Å | 1.10Å | |
| C63 | H631 | sing | 1.09Å | 1.10Å | |
| C63 | H632 | sing | 1.09Å | 1.10Å | |
| C64 | H642 | sing | 1.09Å | 1.10Å | |
| C64 | H641 | sing | 1.09Å | 1.10Å | |
| C65 | H651 | sing | 1.09Å | 1.10Å | |
| C65 | H652 | sing | 1.09Å | 1.10Å | |
| C66 | H662 | sing | 1.09Å | 1.10Å | |
| C66 | H661 | sing | 1.09Å | 1.10Å | |
| C67 | H671 | sing | 1.09Å | 1.10Å | |
| C67 | H672 | sing | 1.09Å | 1.10Å | |
| C68 | H682 | sing | 1.09Å | 1.10Å | |
| C68 | H681 | sing | 1.09Å | 1.10Å | |
| C69 | H693 | sing | 1.09Å | 1.10Å | |
| C69 | H691 | sing | 1.09Å | 1.10Å | |
| C69 | H692 | sing | 1.09Å | 1.10Å | |
| C70 | H702 | sing | 1.09Å | 1.10Å | |
| C70 | H701 | sing | 1.09Å | 1.10Å | |
| C71 | H711 | sing | 1.09Å | 1.10Å | |
| C71 | H712 | sing | 1.09Å | 1.10Å | |
| C72 | H721 | sing | 1.09Å | 1.10Å | |
| C72 | H722 | sing | 1.09Å | 1.10Å | |
| C73 | H733 | sing | 1.09Å | 1.10Å | |
| C73 | H731 | sing | 1.09Å | 1.10Å | |
| C73 | H732 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C18 | N | C17 | 126.7° | 120.0° |
| N | C18 | C19 | 106.0° | 109.5° |
| N | C18 | C54 | 106.9° | 109.5° |
| C18 | N | HN1 | 116.6° | 120.0° |
| N | C18 | H181 | 113.4° | 109.5° |
| N | C17 | O | 117.4° | 120.0° |
| N | C17 | C16 | 126.3° | 120.0° |
| C17 | N | HN1 | 116.7° | 120.0° |
| C1 | C | C72 | 113.5° | 109.5° |
| C | C1 | C2 | 111.4° | 109.5° |
| C1 | C | HC3 | 108.4° | 109.4° |
| C1 | C | HC2 | 108.5° | 109.5° |
| C | C1 | H11 | 109.0° | 109.5° |
| C | C1 | H12 | 109.0° | 109.4° |
| C | C72 | C71 | 112.8° | 109.5° |
| C72 | C | HC3 | 108.5° | 109.5° |
| C72 | C | HC2 | 108.4° | 109.5° |
| C | C72 | H721 | 108.6° | 109.4° |
| C | C72 | H722 | 108.6° | 109.5° |
| O | C17 | C16 | 116.3° | 120.0° |
| C1 | C2 | C3 | 114.1° | 109.5° |
| C2 | C1 | H11 | 109.0° | 109.5° |
| C2 | C1 | H12 | 109.0° | 109.5° |
| C1 | C2 | H22 | 108.3° | 109.5° |
| C1 | C2 | H21 | 108.3° | 109.4° |
| C20 | O1 | C19 | 117.8° | 114.0° |
| O1 | C20 | O2 | 103.7° | 109.4° |
| O1 | C20 | C21 | 110.2° | 109.5° |
| O1 | C20 | H201 | 111.8° | 109.5° |
| O1 | C19 | C18 | 105.5° | 109.5° |
| O1 | C19 | H192 | 110.4° | 109.5° |
| O1 | C19 | H191 | 110.4° | 109.4° |
| C2 | C3 | C4 | 112.4° | 109.5° |
| C3 | C2 | H22 | 108.3° | 109.5° |
| C3 | C2 | H21 | 108.3° | 109.5° |
| C2 | C3 | H31 | 108.7° | 109.5° |
| C2 | C3 | H32 | 108.7° | 109.4° |
| C24 | O2 | C20 | 112.5° | 114.1° |
| O2 | C24 | C23 | 113.9° | 109.4° |
| O2 | C24 | C25 | 107.6° | 109.5° |
| O2 | C24 | H241 | 109.2° | 109.4° |
| O2 | C20 | C21 | 111.3° | 109.4° |
| O2 | C20 | H201 | 110.3° | 109.5° |
| C3 | C4 | C5 | 113.9° | 109.5° |
| C4 | C3 | H31 | 108.8° | 109.5° |
| C4 | C3 | H32 | 108.7° | 109.5° |
| C3 | C4 | H41 | 108.4° | 109.5° |
| C3 | C4 | H42 | 108.4° | 109.4° |
| O3 | C25 | C24 | 110.4° | 109.5° |
| O3 | C25 | H251 | 109.2° | 109.5° |
| O3 | C25 | H252 | 109.2° | 109.5° |
| C25 | O3 | H33 | 109.5° | 113.9° |
| C4 | C5 | C6 | 113.9° | 109.5° |
| C5 | C4 | H41 | 108.4° | 109.5° |
| C5 | C4 | H42 | 108.4° | 109.5° |
| C4 | C5 | H52 | 108.4° | 109.4° |
| C4 | C5 | H51 | 108.4° | 109.4° |
| O4 | C23 | C22 | 107.8° | 109.6° |
| O4 | C23 | C24 | 109.5° | 109.5° |
| O4 | C23 | H231 | 108.1° | 109.6° |
| C23 | O4 | H43 | 109.5° | 114.0° |
| C5 | C6 | C7 | 114.5° | 109.5° |
| C6 | C5 | H52 | 108.3° | 109.5° |
| C6 | C5 | H51 | 108.4° | 109.5° |
| C5 | C6 | H61 | 108.2° | 109.5° |
| C5 | C6 | H62 | 108.2° | 109.4° |
| C6 | C7 | C8 | 112.7° | 109.5° |
| C7 | C6 | H61 | 108.2° | 109.5° |
| C7 | C6 | H62 | 108.2° | 109.5° |
| C6 | C7 | H71 | 108.7° | 109.4° |
| C6 | C7 | H72 | 108.7° | 109.5° |
| C7 | C8 | C9 | 112.2° | 109.4° |
| C8 | C7 | H71 | 108.6° | 109.5° |
| C8 | C7 | H72 | 108.7° | 109.5° |
| C7 | C8 | H82 | 108.8° | 109.4° |
| C7 | C8 | H81 | 108.8° | 109.5° |
| C8 | C9 | C10 | 115.9° | 109.5° |
| C9 | C8 | H82 | 108.8° | 109.5° |
| C9 | C8 | H81 | 108.8° | 109.5° |
| C8 | C9 | H91 | 107.9° | 109.5° |
| C8 | C9 | H92 | 107.8° | 109.5° |
| C9 | C10 | C11 | 109.5° | 109.5° |
| C10 | C9 | H91 | 107.8° | 109.4° |
| C10 | C9 | H92 | 107.8° | 109.5° |
| C9 | C10 | H102 | 109.5° | 109.5° |
| C9 | C10 | H101 | 109.4° | 109.5° |
| C10 | C11 | C12 | 113.4° | 109.5° |
| C11 | C10 | H102 | 109.5° | 109.4° |
| C11 | C10 | H101 | 109.5° | 109.5° |
| C10 | C11 | H112 | 108.5° | 109.5° |
| C10 | C11 | H111 | 108.5° | 109.5° |
| C11 | C12 | C13 | 112.1° | 109.5° |
| C12 | C11 | H112 | 108.5° | 109.5° |
| C12 | C11 | H111 | 108.5° | 109.4° |
| C11 | C12 | H121 | 108.8° | 109.5° |
| C11 | C12 | H122 | 108.8° | 109.5° |
| C12 | C13 | C14 | 111.1° | 109.5° |
| C13 | C12 | H121 | 108.8° | 109.4° |
| C13 | C12 | H122 | 108.8° | 109.4° |
| C12 | C13 | H132 | 109.1° | 109.5° |
| C12 | C13 | H131 | 109.1° | 109.5° |
| C13 | C14 | C15 | 114.4° | 109.5° |
| C14 | C13 | H132 | 109.1° | 109.5° |
| C14 | C13 | H131 | 109.1° | 109.4° |
| C13 | C14 | H141 | 108.2° | 109.5° |
| C13 | C14 | H142 | 108.2° | 109.5° |
| C14 | C15 | C16 | 111.2° | 109.5° |
| C15 | C14 | H141 | 108.2° | 109.5° |
| C15 | C14 | H142 | 108.2° | 109.4° |
| C14 | C15 | H152 | 109.0° | 109.5° |
| C14 | C15 | H151 | 109.1° | 109.4° |
| C15 | C16 | C17 | 105.8° | 109.5° |
| C16 | C15 | H152 | 109.1° | 109.5° |
| C16 | C15 | H151 | 109.0° | 109.5° |
| C15 | C16 | H162 | 110.4° | 109.5° |
| C15 | C16 | H161 | 110.4° | 109.5° |
| C17 | C16 | H162 | 110.4° | 109.5° |
| C17 | C16 | H161 | 110.4° | 109.5° |
| C19 | C18 | C54 | 105.7° | 109.4° |
| C19 | C18 | H181 | 112.0° | 109.5° |
| C18 | C19 | H192 | 110.4° | 109.5° |
| C18 | C19 | H191 | 110.4° | 109.5° |
| C18 | C54 | O28 | 120.8° | 120.0° |
| C18 | C54 | C55 | 122.0° | 120.0° |
| C54 | C18 | H181 | 112.3° | 109.5° |
| C20 | C21 | C22 | 114.3° | 109.2° |
| C20 | C21 | O27 | 109.7° | 109.5° |
| C21 | C20 | H201 | 109.4° | 109.5° |
| C20 | C21 | H211 | 107.7° | 109.6° |
| C22 | C21 | O27 | 108.0° | 109.5° |
| C21 | C22 | C23 | 116.8° | 109.0° |
| C21 | C22 | O26 | 110.4° | 109.6° |
| C22 | C21 | H211 | 108.3° | 109.5° |
| C21 | C22 | H221 | 107.2° | 109.5° |
| O27 | C21 | H211 | 108.9° | 109.6° |
| C21 | O27 | H271 | 109.5° | 114.0° |
| C23 | C22 | O26 | 107.6° | 109.6° |
| C22 | C23 | C24 | 116.3° | 109.2° |
| C23 | C22 | H221 | 107.2° | 109.5° |
| C22 | C23 | H231 | 107.7° | 109.6° |
| O26 | C22 | H221 | 107.2° | 109.6° |
| C22 | O26 | H261 | 109.5° | 114.0° |
| C23 | C24 | C25 | 108.9° | 109.5° |
| C23 | C24 | H241 | 108.3° | 109.5° |
| C24 | C23 | H231 | 107.1° | 109.5° |
| C25 | C24 | H241 | 108.8° | 109.5° |
| C24 | C25 | H251 | 109.2° | 109.5° |
| C24 | C25 | H252 | 109.2° | 109.4° |
| O28 | C54 | C55 | 117.2° | 120.0° |
| C54 | C55 | C56 | 114.2° | 109.5° |
| C54 | C55 | H551 | 108.3° | 109.5° |
| C54 | C55 | H552 | 108.3° | 109.5° |
| C55 | C56 | C57 | 105.7° | 109.5° |
| C56 | C55 | H551 | 108.3° | 109.5° |
| C56 | C55 | H552 | 108.3° | 109.4° |
| C55 | C56 | H561 | 110.4° | 109.5° |
| C55 | C56 | H562 | 110.4° | 109.4° |
| C56 | C57 | C58 | 112.2° | 109.5° |
| C57 | C56 | H561 | 110.4° | 109.5° |
| C57 | C56 | H562 | 110.4° | 109.5° |
| C56 | C57 | H571 | 108.8° | 109.5° |
| C56 | C57 | H572 | 108.8° | 109.5° |
| C57 | C58 | C59 | 108.4° | 109.4° |
| C58 | C57 | H571 | 108.8° | 109.5° |
| C58 | C57 | H572 | 108.8° | 109.5° |
| C57 | C58 | H581 | 109.8° | 109.5° |
| C57 | C58 | H582 | 109.8° | 109.5° |
| C58 | C59 | C60 | 110.9° | 109.4° |
| C59 | C58 | H581 | 109.7° | 109.5° |
| C59 | C58 | H582 | 109.8° | 109.4° |
| C58 | C59 | H591 | 109.1° | 109.5° |
| C58 | C59 | H592 | 109.1° | 109.5° |
| C59 | C60 | C61 | 109.4° | 109.5° |
| C60 | C59 | H591 | 109.1° | 109.5° |
| C60 | C59 | H592 | 109.1° | 109.4° |
| C59 | C60 | H601 | 109.5° | 109.5° |
| C59 | C60 | H602 | 109.5° | 109.4° |
| C60 | C61 | C62 | 113.1° | 109.5° |
| C61 | C60 | H601 | 109.5° | 109.5° |
| C61 | C60 | H602 | 109.5° | 109.5° |
| C60 | C61 | H612 | 108.6° | 109.5° |
| C60 | C61 | H611 | 108.6° | 109.4° |
| C61 | C62 | C63 | 111.5° | 109.5° |
| C62 | C61 | H612 | 108.6° | 109.5° |
| C62 | C61 | H611 | 108.6° | 109.5° |
| C61 | C62 | H622 | 109.0° | 109.5° |
| C61 | C62 | H621 | 108.9° | 109.5° |
| C62 | C63 | C64 | 109.7° | 109.5° |
| C63 | C62 | H622 | 109.0° | 109.5° |
| C63 | C62 | H621 | 109.0° | 109.5° |
| C62 | C63 | H631 | 109.4° | 109.5° |
| C62 | C63 | H632 | 109.4° | 109.5° |
| C63 | C64 | C65 | 113.5° | 109.5° |
| C64 | C63 | H631 | 109.4° | 109.4° |
| C64 | C63 | H632 | 109.4° | 109.5° |
| C63 | C64 | H642 | 108.4° | 109.5° |
| C63 | C64 | H641 | 108.5° | 109.5° |
| C64 | C65 | C66 | 107.0° | 109.5° |
| C65 | C64 | H642 | 108.5° | 109.4° |
| C65 | C64 | H641 | 108.5° | 109.4° |
| C64 | C65 | H651 | 110.1° | 109.4° |
| C64 | C65 | H652 | 110.1° | 109.5° |
| C65 | C66 | C67 | 110.6° | 109.5° |
| C66 | C65 | H651 | 110.1° | 109.5° |
| C66 | C65 | H652 | 110.0° | 109.5° |
| C65 | C66 | H662 | 109.2° | 109.5° |
| C65 | C66 | H661 | 109.2° | 109.5° |
| C66 | C67 | C68 | 109.2° | 109.5° |
| C67 | C66 | H662 | 109.2° | 109.4° |
| C67 | C66 | H661 | 109.2° | 109.5° |
| C66 | C67 | H671 | 109.5° | 109.4° |
| C66 | C67 | H672 | 109.5° | 109.4° |
| C67 | C68 | C69 | 111.9° | 109.5° |
| C68 | C67 | H671 | 109.5° | 109.5° |
| C68 | C67 | H672 | 109.6° | 109.5° |
| C67 | C68 | H682 | 108.9° | 109.5° |
| C67 | C68 | H681 | 108.9° | 109.5° |
| C69 | C68 | H682 | 108.9° | 109.5° |
| C69 | C68 | H681 | 108.9° | 109.5° |
| C68 | C69 | H693 | 109.5° | 109.5° |
| C68 | C69 | H691 | 109.5° | 109.5° |
| C68 | C69 | H692 | 109.5° | 109.5° |
| C71 | C70 | C73 | 115.7° | 109.5° |
| C70 | C71 | C72 | 113.4° | 109.5° |
| C71 | C70 | H702 | 107.9° | 109.4° |
| C71 | C70 | H701 | 107.9° | 109.5° |
| C70 | C71 | H711 | 108.5° | 109.5° |
| C70 | C71 | H712 | 108.5° | 109.5° |
| C73 | C70 | H702 | 107.9° | 109.5° |
| C73 | C70 | H701 | 107.9° | 109.5° |
| C70 | C73 | H733 | 109.5° | 109.4° |
| C70 | C73 | H731 | 109.5° | 109.4° |
| C70 | C73 | H732 | 109.5° | 109.4° |
| C72 | C71 | H711 | 108.5° | 109.5° |
| C72 | C71 | H712 | 108.5° | 109.4° |
| C71 | C72 | H721 | 108.6° | 109.5° |
| C71 | C72 | H722 | 108.6° | 109.5° |
| HC3 | C | HC2 | 109.5° | 109.4° |
| H11 | C1 | H12 | 109.5° | 109.5° |
| H22 | C2 | H21 | 109.5° | 109.5° |
| H31 | C3 | H32 | 109.4° | 109.5° |
| H41 | C4 | H42 | 109.4° | 109.5° |
| H52 | C5 | H51 | 109.5° | 109.5° |
| H61 | C6 | H62 | 109.4° | 109.5° |
| H71 | C7 | H72 | 109.5° | 109.5° |
| H82 | C8 | H81 | 109.5° | 109.5° |
| H91 | C9 | H92 | 109.5° | 109.4° |
| H102 | C10 | H101 | 109.5° | 109.5° |
| H112 | C11 | H111 | 109.5° | 109.4° |
| H121 | C12 | H122 | 109.5° | 109.5° |
| H132 | C13 | H131 | 109.5° | 109.5° |
| H141 | C14 | H142 | 109.5° | 109.5° |
| H152 | C15 | H151 | 109.5° | 109.5° |
| H162 | C16 | H161 | 109.5° | 109.5° |
| H192 | C19 | H191 | 109.5° | 109.4° |
| H251 | C25 | H252 | 109.5° | 109.5° |
| H551 | C55 | H552 | 109.5° | 109.5° |
| H561 | C56 | H562 | 109.5° | 109.5° |
| H571 | C57 | H572 | 109.5° | 109.5° |
| H581 | C58 | H582 | 109.5° | 109.5° |
| H591 | C59 | H592 | 109.5° | 109.5° |
| H601 | C60 | H602 | 109.5° | 109.5° |
| H612 | C61 | H611 | 109.4° | 109.5° |
| H622 | C62 | H621 | 109.5° | 109.4° |
| H631 | C63 | H632 | 109.5° | 109.5° |
| H642 | C64 | H641 | 109.5° | 109.5° |
| H651 | C65 | H652 | 109.5° | 109.4° |
| H662 | C66 | H661 | 109.5° | 109.4° |
| H671 | C67 | H672 | 109.5° | 109.5° |
| H682 | C68 | H681 | 109.5° | 109.5° |
| H693 | C69 | H691 | 109.4° | 109.5° |
| H693 | C69 | H692 | 109.5° | 109.4° |
| H691 | C69 | H692 | 109.4° | 109.4° |
| H702 | C70 | H701 | 109.5° | 109.5° |
| H711 | C71 | H712 | 109.5° | 109.5° |
| H721 | C72 | H722 | 109.5° | 109.4° |
| H733 | C73 | H731 | 109.5° | 109.5° |
| H733 | C73 | H732 | 109.5° | 109.5° |
| H731 | C73 | H732 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C18 | N | C17 | HN1 | 180.0° | 180.0° |
| C18 | N | C17 | O | 179.6° | 0.0° |
| N | C18 | C19 | O1 | 132.5° | 65.0° |
| C18 | N | C17 | C16 | 0.9° | 180.0° |
| N | C18 | C19 | C54 | 113.3° | 120.0° |
| N | C18 | C19 | H181 | 124.1° | 120.0° |
| N | C18 | C54 | H181 | 125.0° | 120.0° |
| N | C18 | C54 | O28 | 99.9° | 20.0° |
| N | C18 | C54 | C55 | 79.7° | 160.0° |
| N | C18 | C19 | H192 | 13.2° | 55.0° |
| N | C18 | C19 | H191 | 108.1° | 175.0° |
| N | C17 | O | C16 | 179.6° | 180.0° |
| N | C17 | C16 | C15 | 166.4° | 180.0° |
| C17 | N | C18 | C19 | 110.7° | 85.0° |
| C17 | N | C18 | C54 | 136.8° | 155.0° |
| N | C17 | C16 | H162 | 74.2° | 60.0° |
| N | C17 | C16 | H161 | 46.9° | 60.0° |
| C17 | N | C18 | H181 | 12.5° | 35.0° |
| C1 | C | C72 | HC3 | 120.6° | 120.0° |
| C1 | C | C72 | HC2 | 120.6° | 120.1° |
| C | C1 | C2 | H11 | 120.3° | 120.0° |
| C | C1 | C2 | H12 | 120.3° | 120.0° |
| C | C1 | C2 | C3 | 177.0° | NaN° |
| C1 | C | C72 | C71 | 147.8° | 180.0° |
| C1 | C | HC3 | HC2 | 118.2° | 120.0° |
| C | C1 | H11 | H12 | 119.1° | 120.0° |
| C | C1 | C2 | H22 | 56.3° | 60.0° |
| C | C1 | C2 | H21 | 62.3° | 60.0° |
| C1 | C | C72 | H721 | 27.3° | 60.0° |
| C1 | C | C72 | H722 | 91.7° | 59.9° |
| C72 | C | C1 | C2 | 114.7° | 180.0° |
| C | C72 | C71 | C70 | 169.4° | 180.0° |
| C | C72 | C71 | H721 | 120.5° | 120.0° |
| C | C72 | C71 | H722 | 120.5° | 120.0° |
| C72 | C | HC3 | HC2 | 118.2° | 120.0° |
| C72 | C | C1 | H11 | 125.0° | 60.0° |
| C72 | C | C1 | H12 | 5.6° | 60.0° |
| C | C72 | C71 | H711 | 48.8° | 60.0° |
| C | C72 | C71 | H712 | 70.0° | 60.0° |
| C | C72 | H721 | H722 | 118.5° | 120.0° |
| O | C17 | C16 | C15 | 13.2° | 0.0° |
| O | C17 | C16 | H162 | 106.3° | 120.0° |
| O | C17 | C16 | H161 | 132.6° | 120.0° |
| O | C17 | N | HN1 | 0.4° | 180.0° |
| C1 | C2 | C3 | H22 | 120.7° | 120.0° |
| C1 | C2 | C3 | H21 | 120.7° | 120.0° |
| C1 | C2 | C3 | C4 | 152.0° | NaN° |
| C2 | C1 | C | HC3 | 124.7° | 60.0° |
| C2 | C1 | C | HC2 | 5.9° | 60.0° |
| C2 | C1 | H11 | H12 | 119.1° | 120.0° |
| C1 | C2 | H22 | H21 | 117.8° | 120.0° |
| C1 | C2 | C3 | H31 | 87.5° | 60.0° |
| C1 | C2 | C3 | H32 | 31.5° | 60.0° |
| O1 | C20 | O2 | C24 | 176.6° | 178.9° |
| O1 | C20 | O2 | C21 | 118.5° | 120.0° |
| O1 | C20 | O2 | H201 | 119.8° | 120.0° |
| C20 | O1 | C19 | C18 | 134.9° | 180.0° |
| O1 | C20 | C21 | H201 | 123.3° | 120.1° |
| O1 | C20 | C21 | C22 | 165.7° | 177.6° |
| O1 | C20 | C21 | O27 | 73.0° | 62.5° |
| C20 | O1 | C19 | H192 | 105.7° | 60.0° |
| C20 | O1 | C19 | H191 | 15.6° | 60.0° |
| O1 | C20 | C21 | H211 | 45.3° | 57.7° |
| C19 | O1 | C20 | O2 | 161.8° | 65.1° |
| O1 | C19 | C18 | H192 | 119.4° | 120.0° |
| O1 | C19 | C18 | H191 | 119.4° | 120.0° |
| O1 | C19 | C18 | C54 | 114.2° | 55.0° |
| C19 | O1 | C20 | C21 | 42.6° | 175.0° |
| O1 | C19 | C18 | H181 | 8.4° | 175.0° |
| O1 | C19 | H192 | H191 | 121.8° | 119.9° |
| C19 | O1 | C20 | H201 | 79.3° | 54.9° |
| C2 | C3 | C4 | H31 | 120.4° | 120.0° |
| C2 | C3 | C4 | H32 | 120.4° | 120.0° |
| C2 | C3 | C4 | C5 | 52.9° | NaN° |
| C3 | C2 | C1 | H11 | 62.7° | 60.0° |
| C3 | C2 | C1 | H12 | 56.7° | 60.0° |
| C3 | C2 | H22 | H21 | 117.9° | 120.0° |
| C2 | C3 | H31 | H32 | 118.7° | 120.0° |
| C2 | C3 | C4 | H41 | 67.7° | 60.0° |
| C2 | C3 | C4 | H42 | 173.6° | 60.0° |
| O2 | C24 | C25 | O3 | 64.2° | 65.0° |
| O2 | C24 | C23 | O4 | 159.3° | 177.5° |
| C24 | O2 | C20 | C21 | 58.1° | 61.1° |
| O2 | C24 | C23 | C22 | 36.7° | 57.6° |
| O2 | C24 | C23 | C25 | 120.1° | 120.0° |
| O2 | C24 | C23 | H241 | 121.7° | 119.9° |
| O2 | C24 | C25 | H241 | 118.2° | 120.0° |
| C24 | O2 | C20 | H201 | 63.6° | 58.9° |
| O2 | C24 | C25 | H251 | 55.9° | 175.0° |
| O2 | C24 | C25 | H252 | 175.6° | 55.1° |
| O2 | C24 | C23 | H231 | 83.8° | 62.4° |
| O2 | C20 | C21 | H201 | 122.2° | 120.0° |
| O2 | C20 | C21 | C22 | 51.1° | 57.7° |
| O2 | C20 | C21 | O27 | 172.5° | 177.5° |
| C20 | O2 | C24 | C23 | 51.0° | 61.1° |
| C20 | O2 | C24 | C25 | 171.9° | 178.9° |
| O2 | C20 | C21 | H211 | 69.2° | 62.2° |
| C20 | O2 | C24 | H241 | 70.1° | 58.8° |
| C3 | C4 | C5 | H41 | 120.7° | 120.0° |
| C3 | C4 | C5 | H42 | 120.7° | 120.0° |
| C3 | C4 | C5 | C6 | 156.6° | NaN° |
| C4 | C3 | C2 | H22 | 31.3° | 60.0° |
| C4 | C3 | C2 | H21 | 87.3° | 60.0° |
| C4 | C3 | H31 | H32 | 118.7° | 120.0° |
| C3 | C4 | H41 | H42 | 118.0° | 120.0° |
| C3 | C4 | C5 | H52 | 35.9° | 60.0° |
| C3 | C4 | C5 | H51 | 82.8° | 60.0° |
| O3 | C25 | C24 | C23 | 171.8° | 175.0° |
| O3 | C25 | C24 | H251 | 120.2° | 120.0° |
| O3 | C25 | C24 | H252 | 120.1° | 120.0° |
| O3 | C25 | C24 | H241 | 54.0° | 55.0° |
| O3 | C25 | H251 | H252 | 119.6° | 120.0° |
| C4 | C5 | C6 | H52 | 120.7° | 120.0° |
| C4 | C5 | C6 | H51 | 120.6° | 119.9° |
| C4 | C5 | C6 | C7 | 153.3° | 180.0° |
| C5 | C4 | C3 | H31 | 173.4° | 60.0° |
| C5 | C4 | C3 | H32 | 67.5° | 60.0° |
| C5 | C4 | H41 | H42 | 118.0° | 120.0° |
| C4 | C5 | H52 | H51 | 118.0° | 119.9° |
| C4 | C5 | C6 | H61 | 85.9° | 60.0° |
| C4 | C5 | C6 | H62 | 32.6° | 60.0° |
| O4 | C23 | C22 | C21 | 153.9° | 176.9° |
| O4 | C23 | C22 | C24 | 123.4° | 119.9° |
| O4 | C23 | C22 | H231 | 116.5° | 120.2° |
| O4 | C23 | C22 | O26 | 29.2° | 57.0° |
| O4 | C23 | C24 | H231 | 117.0° | 120.1° |
| O4 | C23 | C24 | C25 | 80.6° | 62.5° |
| O4 | C23 | C22 | H221 | 85.8° | 63.3° |
| O4 | C23 | C24 | H241 | 37.6° | 57.6° |
| C5 | C6 | C7 | H61 | 120.8° | 120.0° |
| C5 | C6 | C7 | H62 | 120.7° | 120.0° |
| C5 | C6 | C7 | C8 | 78.3° | 180.0° |
| C6 | C5 | C4 | H41 | 82.7° | 60.0° |
| C6 | C5 | C4 | H42 | 35.9° | 60.0° |
| C6 | C5 | H52 | H51 | 118.0° | 120.1° |
| C5 | C6 | H61 | H62 | 117.7° | 120.0° |
| C5 | C6 | C7 | H71 | 161.2° | 60.0° |
| C5 | C6 | C7 | H72 | 42.1° | 60.0° |
| C6 | C7 | C8 | H71 | 120.5° | 119.9° |
| C6 | C7 | C8 | H72 | 120.5° | 120.0° |
| C6 | C7 | C8 | C9 | 179.6° | 180.0° |
| C7 | C6 | C5 | H52 | 32.6° | 60.1° |
| C7 | C6 | C5 | H51 | 86.0° | 60.0° |
| C7 | C6 | H61 | H62 | 117.7° | 120.1° |
| C6 | C7 | H71 | H72 | 118.5° | 120.0° |
| C6 | C7 | C8 | H82 | 59.1° | 60.0° |
| C6 | C7 | C8 | H81 | 60.0° | 59.9° |
| C7 | C8 | C9 | H82 | 120.4° | 119.9° |
| C7 | C8 | C9 | H81 | 120.4° | 120.0° |
| C7 | C8 | C9 | C10 | 64.3° | 180.0° |
| C8 | C7 | C6 | H61 | 42.4° | 60.1° |
| C8 | C7 | C6 | H62 | 160.9° | 60.0° |
| C8 | C7 | H71 | H72 | 118.5° | 120.1° |
| C7 | C8 | H82 | H81 | 118.7° | 120.0° |
| C7 | C8 | C9 | H91 | 174.8° | 60.0° |
| C7 | C8 | C9 | H92 | 56.6° | 60.0° |
| C8 | C9 | C10 | H91 | 120.9° | 120.0° |
| C8 | C9 | C10 | H92 | 120.9° | 120.1° |
| C8 | C9 | C10 | C11 | 172.8° | 180.0° |
| C9 | C8 | C7 | H71 | 60.0° | 60.1° |
| C9 | C8 | C7 | H72 | 59.1° | 60.0° |
| C9 | C8 | H82 | H81 | 118.8° | 120.1° |
| C8 | C9 | H91 | H92 | 117.1° | 120.1° |
| C8 | C9 | C10 | H102 | 67.1° | 60.0° |
| C8 | C9 | C10 | H101 | 52.8° | 60.0° |
| C9 | C10 | C11 | H102 | 120.0° | 120.0° |
| C9 | C10 | C11 | H101 | 120.0° | 120.1° |
| C9 | C10 | C11 | C12 | 136.1° | 180.0° |
| C10 | C9 | C8 | H82 | 56.1° | 60.1° |
| C10 | C9 | C8 | H81 | 175.3° | 60.0° |
| C10 | C9 | H91 | H92 | 117.1° | 119.9° |
| C9 | C10 | H102 | H101 | 120.0° | 120.0° |
| C9 | C10 | C11 | H112 | 103.4° | 60.0° |
| C9 | C10 | C11 | H111 | 15.5° | 60.0° |
| C10 | C11 | C12 | H112 | 120.6° | 120.0° |
| C10 | C11 | C12 | H111 | 120.6° | 120.0° |
| C10 | C11 | C12 | C13 | 156.2° | 180.0° |
| C11 | C10 | C9 | H91 | 51.9° | 60.0° |
| C11 | C10 | C9 | H92 | 66.3° | 59.9° |
| C11 | C10 | H102 | H101 | 120.0° | 119.9° |
| C10 | C11 | H112 | H111 | 118.2° | 120.0° |
| C10 | C11 | C12 | H121 | 83.4° | 60.0° |
| C10 | C11 | C12 | H122 | 35.8° | 60.0° |
| C11 | C12 | C13 | H121 | 120.4° | 120.0° |
| C11 | C12 | C13 | H122 | 120.4° | 120.0° |
| C11 | C12 | C13 | C14 | 137.6° | 180.0° |
| C12 | C11 | C10 | H102 | 16.1° | 60.0° |
| C12 | C11 | C10 | H101 | 103.9° | 60.0° |
| C12 | C11 | H112 | H111 | 118.2° | 119.9° |
| C11 | C12 | H121 | H122 | 118.8° | 120.0° |
| C11 | C12 | C13 | H132 | 102.2° | 60.0° |
| C11 | C12 | C13 | H131 | 17.3° | 60.0° |
| C12 | C13 | C14 | H132 | 120.2° | 120.0° |
| C12 | C13 | C14 | H131 | 120.2° | 120.0° |
| C12 | C13 | C14 | C15 | 150.5° | NaN° |
| C13 | C12 | C11 | H112 | 35.6° | 59.9° |
| C13 | C12 | C11 | H111 | 83.3° | 60.0° |
| C13 | C12 | H121 | H122 | 118.8° | 119.9° |
| C12 | C13 | H132 | H131 | 119.3° | 120.0° |
| C12 | C13 | C14 | H141 | 88.7° | 60.0° |
| C12 | C13 | C14 | H142 | 29.8° | 60.0° |
| C13 | C14 | C15 | H141 | 120.7° | 120.0° |
| C13 | C14 | C15 | H142 | 120.7° | 120.0° |
| C13 | C14 | C15 | C16 | 176.9° | NaN° |
| C14 | C13 | C12 | H121 | 17.2° | 60.0° |
| C14 | C13 | C12 | H122 | 102.1° | 60.0° |
| C14 | C13 | H132 | H131 | 119.3° | 120.0° |
| C13 | C14 | H141 | H142 | 117.7° | 120.0° |
| C13 | C14 | C15 | H152 | 62.9° | 60.0° |
| C13 | C14 | C15 | H151 | 56.6° | 60.0° |
| C14 | C15 | C16 | H152 | 120.2° | 120.0° |
| C14 | C15 | C16 | H151 | 120.3° | 120.0° |
| C14 | C15 | C16 | C17 | 59.6° | 180.0° |
| C15 | C14 | C13 | H132 | 30.3° | 60.0° |
| C15 | C14 | C13 | H131 | 89.2° | 60.0° |
| C15 | C14 | H141 | H142 | 117.7° | 120.0° |
| C14 | C15 | H152 | H151 | 119.2° | 120.0° |
| C14 | C15 | C16 | H162 | 179.1° | 60.0° |
| C14 | C15 | C16 | H161 | 59.8° | 60.0° |
| C15 | C16 | C17 | H162 | 119.5° | 120.0° |
| C15 | C16 | C17 | H161 | 119.4° | 120.0° |
| C16 | C15 | C14 | H141 | 56.1° | 60.0° |
| C16 | C15 | C14 | H142 | 62.4° | 60.0° |
| C16 | C15 | H152 | H151 | 119.2° | 120.0° |
| C15 | C16 | H162 | H161 | 121.7° | 120.0° |
| C17 | C16 | C15 | H152 | 60.6° | 60.0° |
| C17 | C16 | C15 | H151 | 179.8° | 60.0° |
| C17 | C16 | H162 | H161 | 121.7° | 120.0° |
| C16 | C17 | N | HN1 | 179.1° | 0.0° |
| C19 | C18 | C54 | H181 | 122.4° | 120.0° |
| C19 | C18 | C54 | O28 | 12.8° | 100.0° |
| C19 | C18 | C54 | C55 | 167.6° | 80.0° |
| C19 | C18 | N | HN1 | 69.3° | 95.0° |
| C18 | C19 | H192 | H191 | 121.8° | 120.0° |
| C18 | C54 | O28 | C55 | 179.6° | 180.0° |
| C18 | C54 | C55 | C56 | 15.5° | 180.0° |
| C54 | C18 | N | HN1 | 43.2° | 25.0° |
| C54 | C18 | C19 | H192 | 126.5° | 175.0° |
| C54 | C18 | C19 | H191 | 5.2° | 65.0° |
| C18 | C54 | C55 | H551 | 136.2° | 60.0° |
| C18 | C54 | C55 | H552 | 105.2° | 60.0° |
| C20 | C21 | C22 | O27 | 122.3° | 119.9° |
| C20 | C21 | C22 | H211 | 120.0° | 119.9° |
| C20 | C21 | O27 | H211 | 117.5° | 120.2° |
| C20 | C21 | C22 | C23 | 37.6° | 57.0° |
| C20 | C21 | C22 | O26 | 85.7° | 62.9° |
| C20 | C21 | O27 | H271 | 180.0° | 60.1° |
| C20 | C21 | C22 | H221 | 157.8° | 176.8° |
| C22 | C21 | O27 | H211 | 117.4° | 120.1° |
| C21 | C22 | C23 | O26 | 124.7° | 119.9° |
| C21 | C22 | C23 | H221 | 120.3° | 119.8° |
| C21 | C22 | O26 | H221 | 116.5° | 120.2° |
| C21 | C22 | C23 | C24 | 30.5° | 57.0° |
| C22 | C21 | C20 | H201 | 71.1° | 62.3° |
| C22 | C21 | O27 | H271 | 55.0° | 179.7° |
| C21 | C22 | O26 | H261 | 180.0° | 60.0° |
| C21 | C22 | C23 | H231 | 89.6° | 62.9° |
| O27 | C21 | C22 | C23 | 159.9° | 176.9° |
| O27 | C21 | C22 | O26 | 36.6° | 57.0° |
| O27 | C21 | C20 | H201 | 50.3° | 57.5° |
| O27 | C21 | C22 | H221 | 79.9° | 63.3° |
| C23 | C22 | O26 | H221 | 115.0° | 120.2° |
| C22 | C23 | C24 | H231 | 120.5° | 119.9° |
| C22 | C23 | C24 | C25 | 156.8° | 177.6° |
| C23 | C22 | C21 | H211 | 82.4° | 62.9° |
| C23 | C22 | O26 | H261 | 51.5° | 179.6° |
| C22 | C23 | C24 | H241 | 85.0° | 62.3° |
| C22 | C23 | O4 | H43 | 180.0° | 60.0° |
| O26 | C22 | C23 | C24 | 94.2° | 62.9° |
| O26 | C22 | C21 | H211 | 154.3° | 177.2° |
| O26 | C22 | C23 | H231 | 145.7° | 177.2° |
| C23 | C24 | C25 | H241 | 117.8° | 120.0° |
| C24 | C23 | C22 | H221 | 150.8° | 176.8° |
| C23 | C24 | C25 | H251 | 68.0° | 55.0° |
| C23 | C24 | C25 | H252 | 51.7° | 64.9° |
| C24 | C23 | O4 | H43 | 52.5° | 179.7° |
| C24 | C25 | H251 | H252 | 119.5° | 119.9° |
| C24 | C25 | O3 | H33 | 180.0° | 180.0° |
| C25 | C24 | C23 | H231 | 36.4° | 57.7° |
| O28 | C54 | C55 | C56 | 164.2° | 0.0° |
| O28 | C54 | C18 | H181 | 135.1° | 140.0° |
| O28 | C54 | C55 | H551 | 43.5° | 120.0° |
| O28 | C54 | C55 | H552 | 75.1° | 120.0° |
| C54 | C55 | C56 | H551 | 120.7° | 120.0° |
| C54 | C55 | C56 | H552 | 120.7° | 120.0° |
| C54 | C55 | C56 | C57 | 175.1° | 180.0° |
| C55 | C54 | C18 | H181 | 45.3° | 40.0° |
| C54 | C55 | H551 | H552 | 117.8° | 120.0° |
| C54 | C55 | C56 | H561 | 65.5° | 60.0° |
| C54 | C55 | C56 | H562 | 55.7° | 60.0° |
| C55 | C56 | C57 | H561 | 119.4° | 120.0° |
| C55 | C56 | C57 | H562 | 119.4° | 120.0° |
| C55 | C56 | C57 | C58 | 140.4° | 180.0° |
| C56 | C55 | H551 | H552 | 117.8° | 120.0° |
| C55 | C56 | H561 | H562 | 121.7° | 119.9° |
| C55 | C56 | C57 | H571 | 99.2° | 60.0° |
| C55 | C56 | C57 | H572 | 19.9° | 60.0° |
| C56 | C57 | C58 | H571 | 120.4° | 120.0° |
| C56 | C57 | C58 | H572 | 120.4° | 120.0° |
| C56 | C57 | C58 | C59 | 149.2° | 180.0° |
| C57 | C56 | C55 | H551 | 54.4° | 60.0° |
| C57 | C56 | C55 | H552 | 64.2° | 60.0° |
| C57 | C56 | H561 | H562 | 121.8° | 120.0° |
| C56 | C57 | H571 | H572 | 118.7° | 120.0° |
| C56 | C57 | C58 | H581 | 91.0° | 60.0° |
| C56 | C57 | C58 | H582 | 29.3° | 60.1° |
| C57 | C58 | C59 | H581 | 119.8° | 120.0° |
| C57 | C58 | C59 | H582 | 119.9° | 120.0° |
| C57 | C58 | C59 | C60 | 75.2° | 180.0° |
| C58 | C57 | C56 | H561 | 21.0° | 60.0° |
| C58 | C57 | C56 | H562 | 100.3° | 60.0° |
| C58 | C57 | H571 | H572 | 118.8° | 120.0° |
| C57 | C58 | H581 | H582 | 120.5° | 120.1° |
| C57 | C58 | C59 | H591 | 164.6° | 60.0° |
| C57 | C58 | C59 | H592 | 45.0° | 60.0° |
| C58 | C59 | C60 | H591 | 120.2° | 120.0° |
| C58 | C59 | C60 | H592 | 120.2° | 120.0° |
| C58 | C59 | C60 | C61 | 143.6° | 180.0° |
| C59 | C58 | C57 | H571 | 28.8° | 60.0° |
| C59 | C58 | C57 | H572 | 90.4° | 60.0° |
| C59 | C58 | H581 | H582 | 120.5° | 120.0° |
| C58 | C59 | H591 | H592 | 119.4° | 120.0° |
| C58 | C59 | C60 | H601 | 96.4° | 60.0° |
| C58 | C59 | C60 | H602 | 23.6° | 60.0° |
| C59 | C60 | C61 | H601 | 120.0° | 120.1° |
| C59 | C60 | C61 | H602 | 120.0° | 119.9° |
| C59 | C60 | C61 | C62 | 159.6° | 180.0° |
| C60 | C59 | C58 | H581 | 44.7° | 60.0° |
| C60 | C59 | C58 | H582 | 165.0° | 60.1° |
| C60 | C59 | H591 | H592 | 119.3° | 120.0° |
| C59 | C60 | H601 | H602 | 120.0° | 120.0° |
| C59 | C60 | C61 | H612 | 39.1° | 59.9° |
| C59 | C60 | C61 | H611 | 79.8° | 60.0° |
| C60 | C61 | C62 | H612 | 120.6° | 120.0° |
| C60 | C61 | C62 | H611 | 120.6° | 119.9° |
| C60 | C61 | C62 | C63 | 56.7° | 180.0° |
| C61 | C60 | C59 | H591 | 23.3° | 60.0° |
| C61 | C60 | C59 | H592 | 96.2° | 60.0° |
| C61 | C60 | H601 | H602 | 120.0° | 120.0° |
| C60 | C61 | H612 | H611 | 118.3° | 119.9° |
| C60 | C61 | C62 | H622 | 63.6° | 59.9° |
| C60 | C61 | C62 | H621 | 177.0° | 60.0° |
| C61 | C62 | C63 | H622 | 120.3° | 120.0° |
| C61 | C62 | C63 | H621 | 120.3° | 120.0° |
| C61 | C62 | C63 | C64 | 180.0° | 180.0° |
| C62 | C61 | C60 | H601 | 80.4° | 59.9° |
| C62 | C61 | C60 | H602 | 39.7° | 60.0° |
| C62 | C61 | H612 | H611 | 118.4° | 120.0° |
| C61 | C62 | H622 | H621 | 119.1° | 119.9° |
| C61 | C62 | C63 | H631 | 60.0° | 60.0° |
| C61 | C62 | C63 | H632 | 59.9° | 60.0° |
| C62 | C63 | C64 | H631 | 120.0° | 120.0° |
| C62 | C63 | C64 | H632 | 120.0° | 120.0° |
| C62 | C63 | C64 | C65 | 170.0° | 180.0° |
| C63 | C62 | C61 | H612 | 177.3° | 60.0° |
| C63 | C62 | C61 | H611 | 63.9° | 60.0° |
| C63 | C62 | H622 | H621 | 119.1° | 120.0° |
| C62 | C63 | H631 | H632 | 119.9° | 120.0° |
| C62 | C63 | C64 | H642 | 49.4° | 60.0° |
| C62 | C63 | C64 | H641 | 69.4° | 60.1° |
| C63 | C64 | C65 | H642 | 120.6° | 120.0° |
| C63 | C64 | C65 | H641 | 120.6° | 120.0° |
| C63 | C64 | C65 | C66 | 179.0° | 180.0° |
| C64 | C63 | C62 | H622 | 59.7° | 60.0° |
| C64 | C63 | C62 | H621 | 59.8° | 60.0° |
| C64 | C63 | H631 | H632 | 119.9° | 120.0° |
| C63 | C64 | H642 | H641 | 118.2° | 120.0° |
| C63 | C64 | C65 | H651 | 59.4° | 60.0° |
| C63 | C64 | C65 | H652 | 61.4° | 60.0° |
| C64 | C65 | C66 | H651 | 119.6° | 120.0° |
| C64 | C65 | C66 | H652 | 119.6° | 120.1° |
| C64 | C65 | C66 | C67 | 134.4° | NaN° |
| C65 | C64 | C63 | H631 | 70.0° | 60.0° |
| C65 | C64 | C63 | H632 | 49.9° | 60.0° |
| C65 | C64 | H642 | H641 | 118.2° | 119.9° |
| C64 | C65 | H651 | H652 | 121.1° | 120.0° |
| C64 | C65 | C66 | H662 | 105.4° | 60.0° |
| C64 | C65 | C66 | H661 | 14.2° | 59.9° |
| C65 | C66 | C67 | H662 | 120.2° | 120.0° |
| C65 | C66 | C67 | H661 | 120.2° | 120.1° |
| C65 | C66 | C67 | C68 | 81.0° | 180.0° |
| C66 | C65 | C64 | H642 | 60.4° | 60.0° |
| C66 | C65 | C64 | H641 | 58.4° | 60.0° |
| C66 | C65 | H651 | H652 | 121.1° | 120.0° |
| C65 | C66 | H662 | H661 | 119.5° | 120.0° |
| C65 | C66 | C67 | H671 | 159.1° | 60.0° |
| C65 | C66 | C67 | H672 | 39.0° | 60.0° |
| C66 | C67 | C68 | H671 | 119.9° | 120.0° |
| C66 | C67 | C68 | H672 | 120.0° | 120.0° |
| C66 | C67 | C68 | C69 | 161.9° | 180.0° |
| C67 | C66 | C65 | H651 | 14.8° | 60.0° |
| C67 | C66 | C65 | H652 | 106.0° | 59.9° |
| C67 | C66 | H662 | H661 | 119.5° | 120.0° |
| C66 | C67 | H671 | H672 | 120.1° | 119.9° |
| C66 | C67 | C68 | H682 | 77.7° | 60.0° |
| C66 | C67 | C68 | H681 | 41.5° | 60.0° |
| C67 | C68 | C69 | H682 | 120.4° | 120.0° |
| C67 | C68 | C69 | H681 | 120.4° | 120.0° |
| C68 | C67 | C66 | H662 | 39.2° | 60.0° |
| C68 | C67 | C66 | H661 | 158.8° | 60.0° |
| C68 | C67 | H671 | H672 | 120.1° | 120.0° |
| C67 | C68 | H682 | H681 | 118.9° | 120.0° |
| C67 | C68 | C69 | H693 | 180.0° | 60.0° |
| C67 | C68 | C69 | H691 | 60.0° | 60.0° |
| C67 | C68 | C69 | H692 | 60.0° | 180.0° |
| C69 | C68 | C67 | H671 | 41.9° | 60.0° |
| C69 | C68 | C67 | H672 | 78.1° | 60.1° |
| C69 | C68 | H682 | H681 | 118.9° | 120.0° |
| C68 | C69 | H693 | H691 | 120.0° | 120.0° |
| C68 | C69 | H693 | H692 | 120.0° | 120.1° |
| C68 | C69 | H691 | H692 | 120.0° | 120.0° |
| C71 | C70 | C73 | H702 | 120.9° | 120.0° |
| C71 | C70 | C73 | H701 | 120.9° | 120.0° |
| C70 | C71 | C72 | H711 | 120.6° | 120.0° |
| C70 | C71 | C72 | H712 | 120.6° | 120.0° |
| C71 | C70 | H702 | H701 | 117.2° | 120.0° |
| C70 | C71 | H711 | H712 | 118.2° | 120.0° |
| C70 | C71 | C72 | H721 | 48.9° | 60.0° |
| C70 | C71 | C72 | H722 | 70.1° | 60.0° |
| C71 | C70 | C73 | H733 | 180.0° | 60.0° |
| C71 | C70 | C73 | H731 | 60.0° | 60.0° |
| C71 | C70 | C73 | H732 | 60.0° | 180.0° |
| C73 | C70 | C71 | C72 | 131.1° | NaN° |
| C73 | C70 | H702 | H701 | 117.1° | 120.0° |
| C73 | C70 | C71 | H711 | 10.5° | 60.0° |
| C73 | C70 | C71 | H712 | 108.4° | 60.0° |
| C70 | C73 | H733 | H731 | 120.0° | 120.0° |
| C70 | C73 | H733 | H732 | 120.0° | 119.9° |
| C70 | C73 | H731 | H732 | 120.0° | 120.0° |
| C71 | C72 | C | HC3 | 91.6° | 60.0° |
| C71 | C72 | C | HC2 | 27.2° | 59.9° |
| C72 | C71 | C70 | H702 | 10.2° | 60.0° |
| C72 | C71 | C70 | H701 | 108.0° | 60.0° |
| C72 | C71 | H711 | H712 | 118.2° | 120.0° |
| C71 | C72 | H721 | H722 | 118.5° | 120.0° |
| HC3 | C | C1 | H11 | 4.4° | 60.0° |
| HC3 | C | C1 | H12 | 115.0° | 180.0° |
| HC3 | C | C72 | H721 | 147.9° | 180.0° |
| HC3 | C | C72 | H722 | 28.9° | 60.1° |
| HC2 | C | C1 | H11 | 114.4° | 180.0° |
| HC2 | C | C1 | H12 | 126.2° | 60.0° |
| HC2 | C | C72 | H721 | 93.3° | 60.1° |
| HC2 | C | C72 | H722 | 147.7° | 180.0° |
| H11 | C1 | C2 | H22 | 176.6° | 180.0° |
| H11 | C1 | C2 | H21 | 58.0° | 60.0° |
| H12 | C1 | C2 | H22 | 64.0° | 60.0° |
| H12 | C1 | C2 | H21 | 177.4° | 180.0° |
| H22 | C2 | C3 | H31 | 151.8° | 180.0° |
| H22 | C2 | C3 | H32 | 89.1° | 60.0° |
| H21 | C2 | C3 | H31 | 33.1° | 60.0° |
| H21 | C2 | C3 | H32 | 152.2° | 180.0° |
| H31 | C3 | C4 | H41 | 52.7° | 180.0° |
| H31 | C3 | C4 | H42 | 65.9° | 60.0° |
| H32 | C3 | C4 | H41 | 171.8° | 60.0° |
| H32 | C3 | C4 | H42 | 53.2° | 180.0° |
| H41 | C4 | C5 | H52 | 156.6° | 180.0° |
| H41 | C4 | C5 | H51 | 37.9° | 60.0° |
| H42 | C4 | C5 | H52 | 84.7° | 60.0° |
| H42 | C4 | C5 | H51 | 156.6° | 180.0° |
| H52 | C5 | C6 | H61 | 153.4° | 180.0° |
| H52 | C5 | C6 | H62 | 88.1° | 60.0° |
| H51 | C5 | C6 | H61 | 34.7° | 60.0° |
| H51 | C5 | C6 | H62 | 153.2° | 179.9° |
| H61 | C6 | C7 | H71 | 78.1° | 180.0° |
| H61 | C6 | C7 | H72 | 162.9° | 60.0° |
| H62 | C6 | C7 | H71 | 40.4° | 60.0° |
| H62 | C6 | C7 | H72 | 78.6° | 180.0° |
| H71 | C7 | C8 | H82 | 179.6° | 179.9° |
| H71 | C7 | C8 | H81 | 60.5° | 60.0° |
| H72 | C7 | C8 | H82 | 61.3° | 60.0° |
| H72 | C7 | C8 | H81 | 179.5° | 180.0° |
| H82 | C8 | C9 | H91 | 64.8° | 180.0° |
| H82 | C8 | C9 | H92 | 177.0° | 60.0° |
| H81 | C8 | C9 | H91 | 54.4° | 60.0° |
| H81 | C8 | C9 | H92 | 63.8° | 180.0° |
| H91 | C9 | C10 | H102 | 171.9° | 179.9° |
| H91 | C9 | C10 | H101 | 68.1° | 60.1° |
| H92 | C9 | C10 | H102 | 53.8° | 60.0° |
| H92 | C9 | C10 | H101 | 173.7° | 180.0° |
| H102 | C10 | C11 | H112 | 136.6° | 180.0° |
| H102 | C10 | C11 | H111 | 104.5° | 60.0° |
| H101 | C10 | C11 | H112 | 16.6° | 60.1° |
| H101 | C10 | C11 | H111 | 135.5° | 180.0° |
| H112 | C11 | C12 | H121 | 156.0° | 179.9° |
| H112 | C11 | C12 | H122 | 84.8° | 60.0° |
| H111 | C11 | C12 | H121 | 37.1° | 60.0° |
| H111 | C11 | C12 | H122 | 156.4° | 179.9° |
| H121 | C12 | C13 | H132 | 137.4° | 180.0° |
| H121 | C12 | C13 | H131 | 103.1° | 60.0° |
| H122 | C12 | C13 | H132 | 18.2° | 60.0° |
| H122 | C12 | C13 | H131 | 137.7° | 180.0° |
| H132 | C13 | C14 | H141 | 151.1° | 180.0° |
| H132 | C13 | C14 | H142 | 90.4° | 60.0° |
| H131 | C13 | C14 | H141 | 31.5° | 60.0° |
| H131 | C13 | C14 | H142 | 150.0° | 180.0° |
| H141 | C14 | C15 | H152 | 176.4° | 180.0° |
| H141 | C14 | C15 | H151 | 64.1° | 60.0° |
| H142 | C14 | C15 | H152 | 57.9° | 60.0° |
| H142 | C14 | C15 | H151 | 177.4° | 180.0° |
| H152 | C15 | C16 | H162 | 58.8° | 180.0° |
| H152 | C15 | C16 | H161 | 180.0° | 60.0° |
| H151 | C15 | C16 | H162 | 60.7° | 60.0° |
| H151 | C15 | C16 | H161 | 60.4° | 180.0° |
| HN1 | N | C18 | H181 | 167.5° | 145.0° |
| H181 | C18 | C19 | H192 | 111.0° | 65.0° |
| H181 | C18 | C19 | H191 | 127.8° | 55.0° |
| H201 | C20 | C21 | H211 | 168.6° | 177.8° |
| H211 | C21 | O27 | H271 | 62.5° | 60.1° |
| H211 | C21 | C22 | H221 | 37.9° | 56.9° |
| H221 | C22 | O26 | H261 | 63.5° | 60.2° |
| H221 | C22 | C23 | H231 | 30.7° | 56.9° |
| H241 | C24 | C25 | H251 | 174.2° | 65.0° |
| H241 | C24 | C25 | H252 | 66.1° | 175.0° |
| H241 | C24 | C23 | H231 | 154.5° | 177.7° |
| H251 | C25 | O3 | H33 | 59.8° | 60.0° |
| H252 | C25 | O3 | H33 | 59.9° | 60.0° |
| H231 | C23 | O4 | H43 | 63.8° | 60.2° |
| H551 | C55 | C56 | H561 | 173.8° | 180.0° |
| H551 | C55 | C56 | H562 | 65.0° | 60.0° |
| H552 | C55 | C56 | H561 | 55.2° | 60.0° |
| H552 | C55 | C56 | H562 | 176.4° | NaN° |
| H561 | C56 | C57 | H571 | 141.4° | 180.0° |
| H561 | C56 | C57 | H572 | 99.4° | 60.0° |
| H562 | C56 | C57 | H571 | 20.2° | 60.0° |
| H562 | C56 | C57 | H572 | 139.3° | 180.0° |
| H571 | C57 | C58 | H581 | 148.6° | 179.9° |
| H571 | C57 | C58 | H582 | 91.1° | 60.0° |
| H572 | C57 | C58 | H581 | 29.4° | 60.0° |
| H572 | C57 | C58 | H582 | 149.7° | 180.0° |
| H581 | C58 | C59 | H591 | 75.5° | 180.0° |
| H581 | C58 | C59 | H592 | 164.9° | 60.0° |
| H582 | C58 | C59 | H591 | 44.8° | 60.0° |
| H582 | C58 | C59 | H592 | 74.8° | 180.0° |
| H591 | C59 | C60 | H601 | 143.3° | 180.0° |
| H591 | C59 | C60 | H602 | 96.6° | 60.0° |
| H592 | C59 | C60 | H601 | 23.8° | 60.0° |
| H592 | C59 | C60 | H602 | 143.8° | NaN° |
| H601 | C60 | C61 | H612 | 159.1° | NaN° |
| H601 | C60 | C61 | H611 | 40.2° | 60.0° |
| H602 | C60 | C61 | H612 | 80.9° | 60.0° |
| H602 | C60 | C61 | H611 | 160.2° | 180.0° |
| H612 | C61 | C62 | H622 | 56.9° | 180.0° |
| H612 | C61 | C62 | H621 | 62.5° | 60.1° |
| H611 | C61 | C62 | H622 | 175.8° | 60.0° |
| H611 | C61 | C62 | H621 | 56.4° | 179.9° |
| H622 | C62 | C63 | H631 | 179.7° | 180.0° |
| H622 | C62 | C63 | H632 | 60.4° | 60.0° |
| H621 | C62 | C63 | H631 | 60.3° | 60.0° |
| H621 | C62 | C63 | H632 | 179.8° | 180.0° |
| H631 | C63 | C64 | H642 | 169.4° | 180.0° |
| H631 | C63 | C64 | H641 | 50.6° | 59.9° |
| H632 | C63 | C64 | H642 | 70.7° | 60.0° |
| H632 | C63 | C64 | H641 | 170.5° | 180.0° |
| H642 | C64 | C65 | H651 | 179.9° | 180.0° |
| H642 | C64 | C65 | H652 | 59.1° | 60.1° |
| H641 | C64 | C65 | H651 | 61.2° | 60.0° |
| H641 | C64 | C65 | H652 | 178.0° | 180.0° |
| H651 | C65 | C66 | H662 | 135.0° | 180.0° |
| H651 | C65 | C66 | H661 | 105.4° | 60.0° |
| H652 | C65 | C66 | H662 | 14.2° | 60.0° |
| H652 | C65 | C66 | H661 | 133.8° | 180.0° |
| H662 | C66 | C67 | H671 | 80.8° | 180.0° |
| H662 | C66 | C67 | H672 | 159.1° | 60.0° |
| H661 | C66 | C67 | H671 | 38.9° | 60.1° |
| H661 | C66 | C67 | H672 | 81.2° | 180.0° |
| H671 | C67 | C68 | H682 | 162.3° | 180.0° |
| H671 | C67 | C68 | H681 | 78.4° | 60.0° |
| H672 | C67 | C68 | H682 | 42.2° | 60.0° |
| H672 | C67 | C68 | H681 | 161.5° | 180.0° |
| H682 | C68 | C69 | H693 | 59.7° | 180.0° |
| H682 | C68 | C69 | H691 | 179.6° | 60.0° |
| H682 | C68 | C69 | H692 | 60.4° | 60.0° |
| H681 | C68 | C69 | H693 | 59.6° | 60.0° |
| H681 | C68 | C69 | H691 | 60.4° | 180.0° |
| H681 | C68 | C69 | H692 | 179.7° | 60.0° |
| H693 | C69 | H691 | H692 | 120.0° | 119.9° |
| H702 | C70 | C71 | H711 | 110.4° | 60.0° |
| H702 | C70 | C71 | H712 | 130.8° | 180.0° |
| H702 | C70 | C73 | H733 | 59.1° | 180.0° |
| H702 | C70 | C73 | H731 | 179.1° | 60.0° |
| H702 | C70 | C73 | H732 | 60.9° | 60.0° |
| H701 | C70 | C71 | H711 | 131.4° | 180.0° |
| H701 | C70 | C71 | H712 | 12.6° | 60.0° |
| H701 | C70 | C73 | H733 | 59.1° | 60.0° |
| H701 | C70 | C73 | H731 | 61.0° | 180.0° |
| H701 | C70 | C73 | H732 | 179.1° | 60.0° |
| H711 | C71 | C72 | H721 | 71.7° | 60.0° |
| H711 | C71 | C72 | H722 | 169.3° | 180.0° |
| H712 | C71 | C72 | H721 | 169.5° | 180.0° |
| H712 | C71 | C72 | H722 | 50.5° | 60.0° |
| H733 | C73 | H731 | H732 | 120.0° | 120.1° |
