A1DAR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.53Å | 1.54Å | |
| C02 | C03 | sing | 1.53Å | 1.53Å | |
| C68 | C67 | sing | 1.51Å | 1.55Å | |
| C70 | C71 | sing | 1.51Å | 1.53Å | |
| C70 | C65 | sing | 1.53Å | 1.51Å | |
| O73 | C71 | doub | 1.21Å | 1.26Å | |
| O04 | C03 | sing | 1.43Å | 1.40Å | |
| C05 | C06 | sing | 1.53Å | 1.52Å | |
| C05 | C03 | sing | 1.53Å | 1.51Å | |
| C05 | C20 | sing | 1.53Å | 1.54Å | |
| C06 | O07 | sing | 1.43Å | 1.41Å | |
| C22 | C21 | sing | 1.53Å | 1.54Å | |
| O66 | C67 | sing | 1.34Å | 1.40Å | |
| O66 | C65 | sing | 1.45Å | 1.42Å | |
| C64 | C63 | sing | 1.53Å | 1.51Å | |
| C67 | O69 | doub | 1.21Å | 1.18Å | |
| C71 | O72 | sing | 1.34Å | 1.27Å | |
| C65 | C63 | sing | 1.53Å | 1.54Å | |
| C40 | N39 | sing | 1.47Å | 1.46Å | |
| C63 | C33 | sing | 1.53Å | 1.55Å | |
| C47 | C46 | sing | 1.53Å | 1.52Å | |
| C21 | C20 | sing | 1.53Å | 1.55Å | |
| C21 | C23 | sing | 1.53Å | 1.56Å | |
| O37 | C36 | sing | 1.43Å | 1.39Å | |
| C45 | C44 | sing | 1.53Å | 1.53Å | |
| C45 | C46 | sing | 1.53Å | 1.56Å | |
| O07 | C08 | sing | 1.43Å | 1.40Å | |
| C08 | O19 | sing | 1.43Å | 1.39Å | |
| C08 | C09 | sing | 1.53Å | 1.55Å | |
| O19 | C17 | sing | 1.43Å | 1.39Å | |
| C17 | C18 | sing | 1.53Å | 1.54Å | |
| C17 | C15 | sing | 1.53Å | 1.52Å | |
| O13 | C14 | sing | 1.43Å | 1.41Å | |
| O13 | C12 | sing | 1.43Å | 1.40Å | |
| C44 | O59 | sing | 1.43Å | 1.39Å | |
| C44 | O43 | sing | 1.43Å | 1.44Å | |
| C46 | C49 | sing | 1.53Å | 1.52Å | |
| C46 | O48 | sing | 1.43Å | 1.40Å | |
| O56 | C51 | doub | 1.21Å | 1.19Å | |
| C38 | N39 | sing | 1.47Å | 1.48Å | |
| C38 | C36 | sing | 1.53Å | 1.53Å | |
| C38 | C42 | sing | 1.53Å | 1.53Å | |
| N39 | C41 | sing | 1.47Å | 1.46Å | |
| C36 | C35 | sing | 1.53Å | 1.55Å | |
| O34 | C35 | sing | 1.43Å | 1.43Å | |
| O34 | C33 | sing | 1.43Å | 1.44Å | |
| O59 | C57 | sing | 1.43Å | 1.41Å | |
| C35 | O62 | sing | 1.43Å | 1.39Å | |
| C33 | C29 | sing | 1.53Å | 1.52Å | |
| O10 | C09 | sing | 1.43Å | 1.39Å | |
| O10 | C11 | sing | 1.43Å | 1.40Å | |
| C49 | C57 | sing | 1.53Å | 1.51Å | |
| C49 | O50 | sing | 1.45Å | 1.41Å | |
| C23 | C24 | sing | 1.53Å | 1.55Å | |
| C09 | C12 | sing | 1.53Å | 1.53Å | |
| C24 | C25 | sing | 1.51Å | 1.56Å | |
| C12 | C15 | sing | 1.53Å | 1.52Å | |
| C15 | O16 | sing | 1.43Å | 1.41Å | |
| O43 | C42 | sing | 1.43Å | 1.45Å | |
| C51 | O50 | sing | 1.34Å | 1.41Å | |
| C51 | C52 | sing | 1.51Å | 1.55Å | |
| C57 | C58 | sing | 1.53Å | 1.54Å | |
| C42 | C60 | sing | 1.53Å | 1.51Å | |
| C28 | C29 | sing | 1.53Å | 1.57Å | |
| C28 | C26 | sing | 1.53Å | 1.54Å | |
| C60 | O62 | sing | 1.43Å | 1.43Å | |
| C60 | C61 | sing | 1.53Å | 1.52Å | |
| C29 | C30 | sing | 1.53Å | 1.52Å | |
| C54 | C53 | sing | 1.53Å | 1.53Å | |
| C27 | C26 | sing | 1.53Å | 1.50Å | |
| C25 | C26 | sing | 1.51Å | 1.55Å | |
| C25 | O74 | doub | 1.21Å | 1.19Å | |
| C52 | C53 | sing | 1.53Å | 1.54Å | |
| O32 | C31 | doub | 1.21Å | 1.20Å | |
| C53 | C55 | sing | 1.53Å | 1.54Å | |
| C30 | C31 | sing | 1.51Å | 1.54Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H1 | sing | 1.09Å | 1.10Å | |
| C21 | H2 | sing | 1.09Å | 1.10Å | |
| C22 | H223 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H3 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H113 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C14 | H143 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C18 | H183 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C23 | H4 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H273 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.08Å | 1.08Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C02 | H022 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C06 | H062 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C38 | H381 | sing | 1.09Å | 1.10Å | |
| C40 | H402 | sing | 1.09Å | 1.10Å | |
| C40 | H401 | sing | 1.09Å | 1.10Å | |
| C40 | H403 | sing | 1.09Å | 1.10Å | |
| C41 | H411 | sing | 1.09Å | 1.10Å | |
| C41 | H412 | sing | 1.09Å | 1.10Å | |
| C41 | H413 | sing | 1.09Å | 1.10Å | |
| C42 | H421 | sing | 1.09Å | 1.10Å | |
| C44 | H441 | sing | 1.09Å | 1.10Å | |
| C45 | H452 | sing | 1.09Å | 1.10Å | |
| C45 | H451 | sing | 1.09Å | 1.10Å | |
| C47 | H472 | sing | 1.09Å | 1.10Å | |
| C47 | H473 | sing | 1.09Å | 1.10Å | |
| C47 | H471 | sing | 1.09Å | 1.10Å | |
| C49 | H491 | sing | 1.09Å | 1.10Å | |
| C52 | H521 | sing | 1.09Å | 1.10Å | |
| C52 | H522 | sing | 1.09Å | 1.10Å | |
| C53 | H531 | sing | 1.09Å | 1.10Å | |
| C54 | H542 | sing | 1.09Å | 1.10Å | |
| C54 | H543 | sing | 1.09Å | 1.10Å | |
| C54 | H541 | sing | 1.09Å | 1.10Å | |
| C55 | H551 | sing | 1.09Å | 1.10Å | |
| C55 | H553 | sing | 1.09Å | 1.10Å | |
| C55 | H552 | sing | 1.09Å | 1.10Å | |
| C57 | H571 | sing | 1.09Å | 1.10Å | |
| C58 | H582 | sing | 1.09Å | 1.10Å | |
| C58 | H581 | sing | 1.09Å | 1.10Å | |
| C58 | H583 | sing | 1.09Å | 1.10Å | |
| C60 | H601 | sing | 1.09Å | 1.10Å | |
| C61 | H611 | sing | 1.09Å | 1.10Å | |
| C61 | H612 | sing | 1.09Å | 1.10Å | |
| C61 | H613 | sing | 1.09Å | 1.10Å | |
| C63 | H631 | sing | 1.09Å | 1.10Å | |
| C64 | H642 | sing | 1.09Å | 1.10Å | |
| C64 | H643 | sing | 1.09Å | 1.10Å | |
| C64 | H641 | sing | 1.09Å | 1.10Å | |
| C65 | H651 | sing | 1.09Å | 1.10Å | |
| C68 | H682 | sing | 1.09Å | 1.10Å | |
| C68 | H681 | sing | 1.09Å | 1.10Å | |
| C68 | H683 | sing | 1.09Å | 1.10Å | |
| C70 | H701 | sing | 1.09Å | 1.10Å | |
| C70 | H702 | sing | 1.09Å | 1.10Å | |
| O04 | H041 | sing | 0.97Å | 0.95Å | |
| O16 | H161 | sing | 0.97Å | 0.95Å | |
| O37 | H371 | sing | 0.97Å | 0.95Å | |
| O48 | H481 | sing | 0.97Å | 0.95Å | |
| O72 | H6 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C03 | 107.5° | 109.5° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| C02 | C01 | H011 | 109.4° | 109.4° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C01 | C02 | H022 | 109.9° | 109.4° |
| C01 | C02 | H021 | 110.0° | 109.5° |
| C02 | C03 | O04 | 108.1° | 109.5° |
| C02 | C03 | C05 | 112.5° | 109.5° |
| C03 | C02 | H022 | 110.0° | 109.4° |
| C03 | C02 | H021 | 110.0° | 109.5° |
| C02 | C03 | H031 | 108.2° | 109.4° |
| C68 | C67 | O66 | 118.5° | 120.0° |
| C68 | C67 | O69 | 121.2° | 120.0° |
| C67 | C68 | H682 | 109.5° | 109.5° |
| C67 | C68 | H681 | 109.5° | 109.4° |
| C67 | C68 | H683 | 109.5° | 109.5° |
| C71 | C70 | C65 | 113.1° | 109.5° |
| C70 | C71 | O73 | 116.4° | 120.0° |
| C70 | C71 | O72 | 122.9° | 120.0° |
| C71 | C70 | H701 | 108.6° | 109.5° |
| C71 | C70 | H702 | 108.6° | 109.4° |
| C70 | C65 | O66 | 106.8° | 109.5° |
| C70 | C65 | C63 | 113.2° | 109.5° |
| C70 | C65 | H651 | 109.9° | 109.5° |
| C65 | C70 | H701 | 108.5° | 109.5° |
| C65 | C70 | H702 | 108.5° | 109.4° |
| O73 | C71 | O72 | 120.6° | 120.0° |
| O04 | C03 | C05 | 109.5° | 109.5° |
| O04 | C03 | H031 | 110.0° | 109.4° |
| C03 | O04 | H041 | 109.5° | 114.0° |
| C06 | C05 | C03 | 109.9° | 109.5° |
| C06 | C05 | C20 | 111.5° | 109.5° |
| C05 | C06 | O07 | 112.1° | 109.5° |
| C06 | C05 | H051 | 110.6° | 109.5° |
| C05 | C06 | H061 | 108.8° | 109.4° |
| C05 | C06 | H062 | 108.8° | 109.4° |
| C03 | C05 | C20 | 103.5° | 109.5° |
| C05 | C03 | H031 | 108.5° | 109.5° |
| C03 | C05 | H051 | 110.7° | 109.4° |
| C05 | C20 | C21 | 116.9° | 109.5° |
| C05 | C20 | H201 | 107.6° | 109.5° |
| C05 | C20 | H1 | 107.6° | 109.5° |
| C20 | C05 | H051 | 110.4° | 109.5° |
| C06 | O07 | C08 | 111.6° | 114.0° |
| O07 | C06 | H061 | 108.8° | 109.5° |
| O07 | C06 | H062 | 108.8° | 109.5° |
| C22 | C21 | C20 | 118.8° | 109.4° |
| C22 | C21 | C23 | 116.5° | 109.5° |
| C22 | C21 | H2 | 103.6° | 109.5° |
| C21 | C22 | H223 | 109.5° | 109.5° |
| C21 | C22 | H221 | 109.4° | 109.4° |
| C21 | C22 | H222 | 109.5° | 109.5° |
| C67 | O66 | C65 | 119.9° | 117.0° |
| O66 | C67 | O69 | 120.4° | 120.0° |
| O66 | C65 | C63 | 106.1° | 109.5° |
| O66 | C65 | H651 | 111.2° | 109.5° |
| C64 | C63 | C65 | 109.4° | 109.4° |
| C64 | C63 | C33 | 111.2° | 109.5° |
| C64 | C63 | H631 | 110.1° | 109.5° |
| C63 | C64 | H642 | 109.5° | 109.5° |
| C63 | C64 | H643 | 109.5° | 109.4° |
| C63 | C64 | H641 | 109.5° | 109.4° |
| C71 | O72 | H6 | 109.5° | 117.0° |
| C65 | C63 | C33 | 106.8° | 109.4° |
| C65 | C63 | H631 | 109.7° | 109.5° |
| C63 | C65 | H651 | 109.5° | 109.4° |
| C40 | N39 | C38 | 111.0° | 111.0° |
| C40 | N39 | C41 | 111.2° | 111.0° |
| N39 | C40 | H402 | 109.5° | 109.5° |
| N39 | C40 | H401 | 109.5° | 109.5° |
| N39 | C40 | H403 | 109.5° | 109.5° |
| C63 | C33 | O34 | 111.2° | 109.4° |
| C63 | C33 | C29 | 111.8° | 109.5° |
| C63 | C33 | H331 | 107.7° | 109.5° |
| C33 | C63 | H631 | 109.6° | 109.5° |
| C47 | C46 | C45 | 110.1° | 109.6° |
| C47 | C46 | C49 | 106.6° | 109.5° |
| C47 | C46 | O48 | 112.1° | 109.6° |
| C46 | C47 | H472 | 109.5° | 109.5° |
| C46 | C47 | H473 | 109.5° | 109.5° |
| C46 | C47 | H471 | 109.5° | 109.4° |
| C20 | C21 | C23 | 108.8° | 109.5° |
| C21 | C20 | H201 | 107.6° | 109.4° |
| C21 | C20 | H1 | 107.6° | 109.5° |
| C20 | C21 | H2 | 103.5° | 109.5° |
| C21 | C23 | C24 | 109.8° | 109.5° |
| C23 | C21 | H2 | 103.4° | 109.5° |
| C21 | C23 | H4 | 109.4° | 109.4° |
| C21 | C23 | H231 | 109.4° | 109.5° |
| O37 | C36 | C38 | 110.1° | 109.5° |
| O37 | C36 | C35 | 110.4° | 109.5° |
| O37 | C36 | H361 | 111.6° | 109.5° |
| C36 | O37 | H371 | 109.5° | 114.0° |
| C44 | C45 | C46 | 111.2° | 109.2° |
| C45 | C44 | O59 | 111.7° | 109.4° |
| C45 | C44 | O43 | 110.2° | 109.5° |
| C45 | C44 | H441 | 107.4° | 109.5° |
| C44 | C45 | H452 | 109.0° | 109.5° |
| C44 | C45 | H451 | 109.0° | 109.6° |
| C45 | C46 | C49 | 111.7° | 109.0° |
| C45 | C46 | O48 | 107.7° | 109.5° |
| C46 | C45 | H452 | 109.0° | 109.5° |
| C46 | C45 | H451 | 109.0° | 109.5° |
| O07 | C08 | O19 | 109.2° | 109.5° |
| O07 | C08 | C09 | 110.6° | 109.5° |
| O07 | C08 | H081 | 109.8° | 109.5° |
| O19 | C08 | C09 | 109.6° | 109.4° |
| C08 | O19 | C17 | 114.1° | 114.1° |
| O19 | C08 | H081 | 109.9° | 109.5° |
| C08 | C09 | O10 | 107.1° | 109.5° |
| C08 | C09 | C12 | 109.4° | 109.2° |
| C09 | C08 | H081 | 107.8° | 109.5° |
| C08 | C09 | H091 | 108.3° | 109.5° |
| O19 | C17 | C18 | 107.8° | 109.5° |
| O19 | C17 | C15 | 112.3° | 109.4° |
| O19 | C17 | H171 | 110.0° | 109.5° |
| C18 | C17 | C15 | 110.4° | 109.5° |
| C18 | C17 | H171 | 108.0° | 109.5° |
| C17 | C18 | H183 | 109.5° | 109.5° |
| C17 | C18 | H182 | 109.5° | 109.5° |
| C17 | C18 | H181 | 109.5° | 109.5° |
| C17 | C15 | C12 | 108.7° | 109.2° |
| C17 | C15 | O16 | 108.9° | 109.5° |
| C17 | C15 | H151 | 109.1° | 109.5° |
| C15 | C17 | H171 | 108.2° | 109.5° |
| C14 | O13 | C12 | 113.2° | 114.0° |
| O13 | C14 | H143 | 109.5° | 109.5° |
| O13 | C14 | H141 | 109.4° | 109.5° |
| O13 | C14 | H142 | 109.4° | 109.4° |
| O13 | C12 | C09 | 112.1° | 109.6° |
| O13 | C12 | C15 | 108.0° | 109.6° |
| O13 | C12 | H121 | 110.5° | 109.5° |
| O59 | C44 | O43 | 109.8° | 109.5° |
| C44 | O59 | C57 | 115.1° | 114.1° |
| O59 | C44 | H441 | 109.2° | 109.5° |
| C44 | O43 | C42 | 114.3° | 114.0° |
| O43 | C44 | H441 | 108.5° | 109.5° |
| C49 | C46 | O48 | 108.6° | 109.5° |
| C46 | C49 | C57 | 110.6° | 109.1° |
| C46 | C49 | O50 | 108.8° | 109.6° |
| C46 | C49 | H491 | 109.4° | 109.5° |
| C46 | O48 | H481 | 109.5° | 114.0° |
| O56 | C51 | O50 | 120.9° | 120.0° |
| O56 | C51 | C52 | 121.2° | 120.0° |
| N39 | C38 | C36 | 114.3° | 109.5° |
| N39 | C38 | C42 | 106.0° | 109.5° |
| C38 | N39 | C41 | 112.3° | 111.0° |
| N39 | C38 | H381 | 108.9° | 109.6° |
| C36 | C38 | C42 | 110.8° | 109.0° |
| C38 | C36 | C35 | 105.6° | 109.2° |
| C38 | C36 | H361 | 109.6° | 109.6° |
| C36 | C38 | H381 | 108.3° | 109.6° |
| C38 | C42 | O43 | 109.8° | 109.5° |
| C38 | C42 | C60 | 111.9° | 109.2° |
| C42 | C38 | H381 | 108.4° | 109.6° |
| C38 | C42 | H421 | 107.2° | 109.5° |
| N39 | C41 | H411 | 109.5° | 109.4° |
| N39 | C41 | H412 | 109.5° | 109.5° |
| N39 | C41 | H413 | 109.5° | 109.5° |
| C36 | C35 | O34 | 109.6° | 109.5° |
| C36 | C35 | O62 | 111.4° | 109.4° |
| C36 | C35 | H351 | 107.1° | 109.5° |
| C35 | C36 | H361 | 109.4° | 109.5° |
| C35 | O34 | C33 | 112.2° | 114.0° |
| O34 | C35 | O62 | 111.0° | 109.5° |
| O34 | C35 | H351 | 108.5° | 109.5° |
| O34 | C33 | C29 | 108.9° | 109.5° |
| O34 | C33 | H331 | 109.1° | 109.4° |
| O59 | C57 | C49 | 110.1° | 109.4° |
| O59 | C57 | C58 | 110.4° | 109.4° |
| O59 | C57 | H571 | 110.7° | 109.5° |
| C35 | O62 | C60 | 108.4° | 114.1° |
| O62 | C35 | H351 | 109.2° | 109.4° |
| C33 | C29 | C28 | 108.6° | 109.5° |
| C33 | C29 | C30 | 110.5° | 109.5° |
| C33 | C29 | H291 | 109.5° | 109.4° |
| C29 | C33 | H331 | 108.1° | 109.5° |
| C09 | O10 | C11 | 113.3° | 114.0° |
| O10 | C09 | C12 | 113.1° | 109.5° |
| O10 | C09 | H091 | 110.4° | 109.5° |
| O10 | C11 | H112 | 109.5° | 109.5° |
| O10 | C11 | H113 | 109.4° | 109.5° |
| O10 | C11 | H111 | 109.5° | 109.4° |
| C57 | C49 | O50 | 107.4° | 109.5° |
| C49 | C57 | C58 | 107.5° | 109.5° |
| C57 | C49 | H491 | 109.6° | 109.6° |
| C49 | C57 | H571 | 109.2° | 109.5° |
| C49 | O50 | C51 | 117.5° | 117.0° |
| O50 | C49 | H491 | 111.0° | 109.6° |
| C23 | C24 | C25 | 110.6° | 109.5° |
| C23 | C24 | H241 | 109.2° | 109.5° |
| C23 | C24 | H3 | 109.2° | 109.5° |
| C24 | C23 | H4 | 109.4° | 109.5° |
| C24 | C23 | H231 | 109.4° | 109.5° |
| C09 | C12 | C15 | 108.8° | 109.0° |
| C09 | C12 | H121 | 108.6° | 109.5° |
| C12 | C09 | H091 | 108.4° | 109.6° |
| C24 | C25 | C26 | 116.1° | 120.0° |
| C24 | C25 | O74 | 120.3° | 120.0° |
| C25 | C24 | H241 | 109.2° | 109.5° |
| C25 | C24 | H3 | 109.2° | 109.4° |
| C12 | C15 | O16 | 110.2° | 109.5° |
| C12 | C15 | H151 | 109.2° | 109.5° |
| C15 | C12 | H121 | 108.8° | 109.6° |
| O16 | C15 | H151 | 110.7° | 109.5° |
| C15 | O16 | H161 | 109.5° | 114.0° |
| O43 | C42 | C60 | 112.2° | 109.5° |
| O43 | C42 | H421 | 108.1° | 109.6° |
| O50 | C51 | C52 | 117.9° | 120.0° |
| C51 | C52 | C53 | 109.9° | 109.5° |
| C51 | C52 | H521 | 109.4° | 109.4° |
| C51 | C52 | H522 | 109.4° | 109.5° |
| C58 | C57 | H571 | 108.9° | 109.5° |
| C57 | C58 | H582 | 109.5° | 109.5° |
| C57 | C58 | H581 | 109.5° | 109.5° |
| C57 | C58 | H583 | 109.5° | 109.5° |
| C42 | C60 | O62 | 111.0° | 109.4° |
| C42 | C60 | C61 | 108.9° | 109.5° |
| C60 | C42 | H421 | 107.4° | 109.5° |
| C42 | C60 | H601 | 109.6° | 109.5° |
| C29 | C28 | C26 | 113.4° | 109.5° |
| C28 | C29 | C30 | 109.9° | 109.5° |
| C29 | C28 | H281 | 108.5° | 109.5° |
| C29 | C28 | H282 | 108.5° | 109.5° |
| C28 | C29 | H291 | 108.9° | 109.5° |
| C28 | C26 | C27 | 110.6° | 109.5° |
| C28 | C26 | C25 | 107.6° | 109.5° |
| C28 | C26 | H261 | 110.0° | 109.5° |
| C26 | C28 | H281 | 108.5° | 109.4° |
| C26 | C28 | H282 | 108.5° | 109.5° |
| O62 | C60 | C61 | 107.1° | 109.5° |
| O62 | C60 | H601 | 110.7° | 109.5° |
| C61 | C60 | H601 | 109.5° | 109.5° |
| C60 | C61 | H611 | 109.5° | 109.5° |
| C60 | C61 | H612 | 109.5° | 109.5° |
| C60 | C61 | H613 | 109.5° | 109.4° |
| C29 | C30 | C31 | 111.3° | 109.4° |
| C30 | C29 | H291 | 109.4° | 109.5° |
| C29 | C30 | H301 | 109.0° | 109.5° |
| C29 | C30 | H302 | 109.0° | 109.5° |
| C54 | C53 | C52 | 108.2° | 109.5° |
| C54 | C53 | C55 | 109.3° | 109.5° |
| C54 | C53 | H531 | 110.3° | 109.5° |
| C53 | C54 | H542 | 109.5° | 109.5° |
| C53 | C54 | H543 | 109.5° | 109.5° |
| C53 | C54 | H541 | 109.5° | 109.5° |
| C27 | C26 | C25 | 107.9° | 109.5° |
| C27 | C26 | H261 | 110.7° | 109.4° |
| C26 | C27 | H271 | 109.5° | 109.5° |
| C26 | C27 | H273 | 109.4° | 109.5° |
| C26 | C27 | H272 | 109.5° | 109.5° |
| C26 | C25 | O74 | 123.6° | 120.0° |
| C25 | C26 | H261 | 110.0° | 109.5° |
| C52 | C53 | C55 | 108.6° | 109.5° |
| C53 | C52 | H521 | 109.4° | 109.5° |
| C53 | C52 | H522 | 109.4° | 109.5° |
| C52 | C53 | H531 | 110.1° | 109.5° |
| O32 | C31 | C30 | 120.8° | 120.0° |
| O32 | C31 | H311 | 119.6° | 120.0° |
| C55 | C53 | H531 | 110.2° | 109.4° |
| C53 | C55 | H551 | 109.5° | 109.4° |
| C53 | C55 | H553 | 109.5° | 109.5° |
| C53 | C55 | H552 | 109.5° | 109.5° |
| C31 | C30 | H301 | 109.0° | 109.5° |
| C31 | C30 | H302 | 109.0° | 109.5° |
| C30 | C31 | H311 | 119.6° | 120.0° |
| H201 | C20 | H1 | 109.5° | 109.5° |
| H223 | C22 | H221 | 109.5° | 109.5° |
| H223 | C22 | H222 | 109.5° | 109.5° |
| H221 | C22 | H222 | 109.5° | 109.4° |
| H241 | C24 | H3 | 109.4° | 109.4° |
| H281 | C28 | H282 | 109.5° | 109.5° |
| H112 | C11 | H113 | 109.5° | 109.4° |
| H112 | C11 | H111 | 109.5° | 109.5° |
| H113 | C11 | H111 | 109.5° | 109.5° |
| H143 | C14 | H141 | 109.5° | 109.5° |
| H143 | C14 | H142 | 109.5° | 109.5° |
| H141 | C14 | H142 | 109.5° | 109.5° |
| H183 | C18 | H182 | 109.5° | 109.5° |
| H183 | C18 | H181 | 109.5° | 109.5° |
| H182 | C18 | H181 | 109.5° | 109.4° |
| H4 | C23 | H231 | 109.5° | 109.5° |
| H271 | C27 | H273 | 109.5° | 109.5° |
| H271 | C27 | H272 | 109.5° | 109.5° |
| H273 | C27 | H272 | 109.5° | 109.4° |
| H301 | C30 | H302 | 109.4° | 109.5° |
| H013 | C01 | H011 | 109.4° | 109.5° |
| H013 | C01 | H012 | 109.5° | 109.5° |
| H011 | C01 | H012 | 109.5° | 109.5° |
| H022 | C02 | H021 | 109.4° | 109.5° |
| H061 | C06 | H062 | 109.5° | 109.5° |
| H402 | C40 | H401 | 109.5° | 109.5° |
| H402 | C40 | H403 | 109.5° | 109.5° |
| H401 | C40 | H403 | 109.5° | 109.4° |
| H411 | C41 | H412 | 109.4° | 109.5° |
| H411 | C41 | H413 | 109.5° | 109.5° |
| H412 | C41 | H413 | 109.5° | 109.4° |
| H452 | C45 | H451 | 109.4° | 109.6° |
| H472 | C47 | H473 | 109.5° | 109.5° |
| H472 | C47 | H471 | 109.5° | 109.4° |
| H473 | C47 | H471 | 109.5° | 109.5° |
| H521 | C52 | H522 | 109.5° | 109.5° |
| H542 | C54 | H543 | 109.4° | 109.5° |
| H542 | C54 | H541 | 109.5° | 109.4° |
| H543 | C54 | H541 | 109.5° | 109.5° |
| H551 | C55 | H553 | 109.5° | 109.5° |
| H551 | C55 | H552 | 109.4° | 109.5° |
| H553 | C55 | H552 | 109.5° | 109.5° |
| H582 | C58 | H581 | 109.4° | 109.4° |
| H582 | C58 | H583 | 109.5° | 109.4° |
| H581 | C58 | H583 | 109.5° | 109.5° |
| H611 | C61 | H612 | 109.5° | 109.5° |
| H611 | C61 | H613 | 109.4° | 109.5° |
| H612 | C61 | H613 | 109.5° | 109.4° |
| H642 | C64 | H643 | 109.5° | 109.5° |
| H642 | C64 | H641 | 109.5° | 109.5° |
| H643 | C64 | H641 | 109.5° | 109.5° |
| H682 | C68 | H681 | 109.5° | 109.4° |
| H682 | C68 | H683 | 109.4° | 109.5° |
| H681 | C68 | H683 | 109.5° | 109.5° |
| H701 | C70 | H702 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C03 | H022 | 119.7° | 120.0° |
| C01 | C02 | C03 | H021 | 119.7° | 120.1° |
| C01 | C02 | C03 | O04 | 48.5° | 63.4° |
| C01 | C02 | C03 | C05 | 169.5° | 176.6° |
| C02 | C01 | H013 | H011 | 120.0° | 120.0° |
| C02 | C01 | H013 | H012 | 120.0° | 120.0° |
| C02 | C01 | H011 | H012 | 120.0° | 120.0° |
| C01 | C02 | H022 | H021 | 120.9° | 120.0° |
| C01 | C02 | C03 | H031 | 70.6° | 56.5° |
| C02 | C03 | O04 | C05 | 122.9° | 120.0° |
| C02 | C03 | O04 | H031 | 117.9° | 119.9° |
| C02 | C03 | C05 | C06 | 58.9° | 57.4° |
| C02 | C03 | C05 | H031 | 119.7° | 120.0° |
| C02 | C03 | C05 | C20 | 178.0° | 62.6° |
| C03 | C02 | C01 | H013 | 180.0° | 60.0° |
| C03 | C02 | C01 | H011 | 60.0° | 60.0° |
| C03 | C02 | C01 | H012 | 60.0° | 180.0° |
| C03 | C02 | H022 | H021 | 120.9° | 120.0° |
| C02 | C03 | C05 | H051 | 63.7° | 177.4° |
| C02 | C03 | O04 | H041 | 116.5° | 174.8° |
| C68 | C67 | O66 | O69 | 179.6° | 180.0° |
| C68 | C67 | O66 | C65 | 173.0° | 178.0° |
| C67 | C68 | H682 | H681 | 120.0° | 119.9° |
| C67 | C68 | H682 | H683 | 120.0° | 120.1° |
| C67 | C68 | H681 | H683 | 120.0° | 120.0° |
| C71 | C70 | C65 | H701 | 120.6° | 120.1° |
| C71 | C70 | C65 | H702 | 120.5° | 119.9° |
| C70 | C71 | O73 | O72 | 176.7° | 180.0° |
| C71 | C70 | C65 | O66 | 157.1° | 65.0° |
| C71 | C70 | C65 | C63 | 86.5° | 175.0° |
| C71 | C70 | C65 | H651 | 36.3° | 55.1° |
| C71 | C70 | H701 | H702 | 118.4° | 120.0° |
| C70 | C71 | O72 | H6 | 176.5° | 180.0° |
| C65 | C70 | C71 | O73 | 132.2° | 0.0° |
| C70 | C65 | O66 | C67 | 87.2° | 137.9° |
| C70 | C65 | O66 | C63 | 121.1° | 120.0° |
| C70 | C65 | O66 | H651 | 119.9° | 120.0° |
| C70 | C65 | C63 | C64 | 76.7° | 66.0° |
| C65 | C70 | C71 | O72 | 51.2° | 180.0° |
| C70 | C65 | C63 | H651 | 123.0° | 120.0° |
| C70 | C65 | C63 | C33 | 162.8° | 174.0° |
| C70 | C65 | C63 | H631 | 44.1° | 54.0° |
| C65 | C70 | H701 | H702 | 118.3° | 120.0° |
| O73 | C71 | C70 | H701 | 107.3° | 120.0° |
| O73 | C71 | C70 | H702 | 11.6° | 119.9° |
| O73 | C71 | O72 | H6 | 0.0° | 0.0° |
| O04 | C03 | C05 | C06 | 179.1° | 62.6° |
| O04 | C03 | C05 | H031 | 120.1° | 120.0° |
| O04 | C03 | C05 | C20 | 61.7° | 177.4° |
| O04 | C03 | C02 | H022 | 71.2° | 56.6° |
| O04 | C03 | C02 | H021 | 168.2° | 176.5° |
| O04 | C03 | C05 | H051 | 56.6° | 57.4° |
| C06 | C05 | C03 | C20 | 119.1° | 120.0° |
| C06 | C05 | C03 | H051 | 122.6° | 120.0° |
| C06 | C05 | C20 | H051 | 123.4° | 120.0° |
| C05 | C06 | O07 | H061 | 120.4° | 120.0° |
| C05 | C06 | O07 | H062 | 120.4° | 120.0° |
| C06 | C05 | C20 | C21 | 104.9° | 175.2° |
| C05 | C06 | O07 | C08 | 159.7° | 180.0° |
| C06 | C05 | C20 | H201 | 16.1° | 64.9° |
| C06 | C05 | C20 | H1 | 134.0° | 55.2° |
| C06 | C05 | C03 | H031 | 60.8° | 177.4° |
| C05 | C06 | H061 | H062 | 118.8° | 120.0° |
| C03 | C05 | C20 | H051 | 118.5° | 119.9° |
| C03 | C05 | C06 | O07 | 74.3° | 63.9° |
| C03 | C05 | C20 | C21 | 137.0° | 64.8° |
| C03 | C05 | C20 | H201 | 101.9° | 55.2° |
| C03 | C05 | C20 | H1 | 15.9° | 175.2° |
| C05 | C03 | C02 | H022 | 49.8° | 63.5° |
| C05 | C03 | C02 | H021 | 70.8° | 56.5° |
| C03 | C05 | C06 | H061 | 165.3° | 56.1° |
| C03 | C05 | C06 | H062 | 46.0° | 176.1° |
| C05 | C03 | O04 | H041 | 6.4° | 65.2° |
| C20 | C05 | C06 | O07 | 39.8° | 176.1° |
| C05 | C20 | C21 | C22 | 22.2° | 65.8° |
| C05 | C20 | C21 | H201 | 121.1° | 120.0° |
| C05 | C20 | C21 | H1 | 121.1° | 120.0° |
| C05 | C20 | C21 | C23 | 158.6° | 174.2° |
| C05 | C20 | H201 | H1 | 116.6° | 120.0° |
| C05 | C20 | C21 | H2 | 91.9° | 54.1° |
| C20 | C05 | C03 | H031 | 58.3° | 57.4° |
| C20 | C05 | C06 | H061 | 80.6° | 63.9° |
| C20 | C05 | C06 | H062 | 160.2° | 56.1° |
| C06 | O07 | C08 | O19 | 72.2° | 65.0° |
| C06 | O07 | C08 | C09 | 167.1° | 175.1° |
| O07 | C06 | C05 | H051 | 163.1° | 56.0° |
| O07 | C06 | H061 | H062 | 118.8° | 120.1° |
| C06 | O07 | C08 | H081 | 48.3° | 55.0° |
| C22 | C21 | C20 | C23 | 136.5° | 120.0° |
| C22 | C21 | C20 | H2 | 114.1° | 120.0° |
| C22 | C21 | C23 | H2 | 112.8° | 120.0° |
| C22 | C21 | C23 | C24 | 65.5° | 65.0° |
| C22 | C21 | C20 | H201 | 98.9° | 174.2° |
| C22 | C21 | C20 | H1 | 143.2° | 54.2° |
| C21 | C22 | H223 | H221 | 120.0° | 120.0° |
| C21 | C22 | H223 | H222 | 120.0° | 120.0° |
| C21 | C22 | H221 | H222 | 120.0° | 120.0° |
| C22 | C21 | C23 | H4 | 54.5° | 55.0° |
| C22 | C21 | C23 | H231 | 174.5° | 175.0° |
| C67 | O66 | C65 | C63 | 151.8° | 102.1° |
| C67 | O66 | C65 | H651 | 32.8° | 17.9° |
| O66 | C67 | C68 | H682 | 179.6° | 90.0° |
| O66 | C67 | C68 | H681 | 59.6° | 30.0° |
| O66 | C67 | C68 | H683 | 60.4° | 150.0° |
| O66 | C65 | C63 | C64 | 40.1° | 54.0° |
| C65 | O66 | C67 | O69 | 7.4° | 2.0° |
| O66 | C65 | C63 | H651 | 120.1° | 120.0° |
| O66 | C65 | C63 | C33 | 80.3° | 65.9° |
| O66 | C65 | C63 | H631 | 160.9° | 174.1° |
| O66 | C65 | C70 | H701 | 36.5° | 175.0° |
| O66 | C65 | C70 | H702 | 82.4° | 54.9° |
| C64 | C63 | C65 | C33 | 120.4° | 120.0° |
| C64 | C63 | C65 | H631 | 120.8° | 120.0° |
| C64 | C63 | C33 | H631 | 121.9° | 120.1° |
| C64 | C63 | C33 | O34 | 0.9° | 61.2° |
| C64 | C63 | C33 | C29 | 121.1° | 178.8° |
| C64 | C63 | C33 | H331 | 120.4° | 58.7° |
| C63 | C64 | H642 | H643 | 120.0° | 120.0° |
| C63 | C64 | H642 | H641 | 120.0° | 120.0° |
| C63 | C64 | H643 | H641 | 120.0° | 119.9° |
| C64 | C63 | C65 | H651 | 160.2° | 174.0° |
| O69 | C67 | C68 | H682 | 0.0° | 90.0° |
| O69 | C67 | C68 | H681 | 120.0° | 150.0° |
| O69 | C67 | C68 | H683 | 120.0° | 30.0° |
| O72 | C71 | C70 | H701 | 69.4° | 60.0° |
| O72 | C71 | C70 | H702 | 171.7° | 60.1° |
| C65 | C63 | C33 | H631 | 118.8° | 120.0° |
| C65 | C63 | C33 | O34 | 118.4° | 178.9° |
| C65 | C63 | C33 | C29 | 119.6° | 58.8° |
| C65 | C63 | C33 | H331 | 1.1° | 61.3° |
| C65 | C63 | C64 | H642 | 180.0° | 65.4° |
| C65 | C63 | C64 | H643 | 60.0° | 54.7° |
| C65 | C63 | C64 | H641 | 60.0° | 174.6° |
| C63 | C65 | C70 | H701 | 152.9° | 54.9° |
| C63 | C65 | C70 | H702 | 34.0° | 65.1° |
| C40 | N39 | C38 | C41 | 125.2° | 124.0° |
| C40 | N39 | C38 | C36 | 89.4° | 73.6° |
| C40 | N39 | C38 | C42 | 148.3° | 166.9° |
| C40 | N39 | C38 | H381 | 31.9° | 46.7° |
| N39 | C40 | H402 | H401 | 120.0° | 120.0° |
| N39 | C40 | H402 | H403 | 120.0° | 120.0° |
| N39 | C40 | H401 | H403 | 120.0° | 120.0° |
| C40 | N39 | C41 | H411 | 180.0° | 176.1° |
| C40 | N39 | C41 | H412 | 60.0° | 56.0° |
| C40 | N39 | C41 | H413 | 60.0° | 64.0° |
| C63 | C33 | O34 | C35 | 109.9° | 98.9° |
| C63 | C33 | O34 | C29 | 123.6° | 120.0° |
| C63 | C33 | O34 | H331 | 118.6° | 119.9° |
| C63 | C33 | C29 | H331 | 118.4° | 120.1° |
| C63 | C33 | C29 | C28 | 71.6° | 66.6° |
| C63 | C33 | C29 | C30 | 167.8° | 173.3° |
| C63 | C33 | C29 | H291 | 47.2° | 53.3° |
| C33 | C63 | C64 | H642 | 62.3° | 54.5° |
| C33 | C63 | C64 | H643 | 57.8° | 174.6° |
| C33 | C63 | C64 | H641 | 177.8° | 65.5° |
| C33 | C63 | C65 | H651 | 39.8° | 54.1° |
| C47 | C46 | C45 | C44 | 163.4° | 176.9° |
| C47 | C46 | C45 | C49 | 118.2° | 119.9° |
| C47 | C46 | C45 | O48 | 122.6° | 120.3° |
| C47 | C46 | C49 | O48 | 121.0° | 120.2° |
| C47 | C46 | C49 | C57 | 169.6° | 176.9° |
| C47 | C46 | C49 | O50 | 72.6° | 63.2° |
| C47 | C46 | C45 | H452 | 43.2° | 57.0° |
| C47 | C46 | C45 | H451 | 76.3° | 63.2° |
| C46 | C47 | H472 | H473 | 120.0° | 120.1° |
| C46 | C47 | H472 | H471 | 120.0° | 119.9° |
| C46 | C47 | H473 | H471 | 120.0° | 119.9° |
| C47 | C46 | C49 | H491 | 48.8° | 57.0° |
| C47 | C46 | O48 | H481 | 180.0° | 60.2° |
| C20 | C21 | C23 | H2 | 109.6° | 120.0° |
| C20 | C21 | C23 | C24 | 156.9° | 175.0° |
| C21 | C20 | H201 | H1 | 116.6° | 120.0° |
| C20 | C21 | C22 | H223 | 180.0° | 180.0° |
| C20 | C21 | C22 | H221 | 60.0° | 60.0° |
| C20 | C21 | C22 | H222 | 60.0° | 59.9° |
| C20 | C21 | C23 | H4 | 83.1° | 65.0° |
| C20 | C21 | C23 | H231 | 36.9° | 55.0° |
| C21 | C20 | C05 | H051 | 18.4° | 55.2° |
| C21 | C23 | C24 | H4 | 120.0° | 119.9° |
| C21 | C23 | C24 | H231 | 120.0° | 120.0° |
| C21 | C23 | C24 | C25 | 162.5° | 180.0° |
| C23 | C21 | C20 | H201 | 37.6° | 54.2° |
| C23 | C21 | C20 | H1 | 80.3° | 65.8° |
| C23 | C21 | C22 | H223 | 46.7° | 60.0° |
| C23 | C21 | C22 | H221 | 166.8° | 180.0° |
| C23 | C21 | C22 | H222 | 73.3° | 60.1° |
| C21 | C23 | C24 | H241 | 42.3° | 60.0° |
| C21 | C23 | C24 | H3 | 77.3° | 60.0° |
| C21 | C23 | H4 | H231 | 119.9° | 120.0° |
| O37 | C36 | C38 | N39 | 69.3° | 63.2° |
| O37 | C36 | C38 | C35 | 119.2° | 119.9° |
| O37 | C36 | C38 | H361 | 123.1° | 120.1° |
| O37 | C36 | C38 | C42 | 171.0° | 176.9° |
| O37 | C36 | C35 | H361 | 123.2° | 120.1° |
| O37 | C36 | C35 | O34 | 53.5° | 62.4° |
| O37 | C36 | C35 | O62 | 176.8° | 177.6° |
| O37 | C36 | C35 | H351 | 64.0° | 57.6° |
| O37 | C36 | C38 | H381 | 52.3° | 57.0° |
| C44 | C45 | C46 | H452 | 120.3° | 119.9° |
| C44 | C45 | C46 | H451 | 120.3° | 119.9° |
| C45 | C44 | O59 | O43 | 122.5° | 119.9° |
| C45 | C44 | O59 | H441 | 118.6° | 120.0° |
| C45 | C44 | O43 | H441 | 117.3° | 120.0° |
| C44 | C45 | C46 | C49 | 45.2° | 57.0° |
| C44 | C45 | C46 | O48 | 74.0° | 62.9° |
| C45 | C44 | O59 | C57 | 59.0° | 61.2° |
| C45 | C44 | O43 | C42 | 141.9° | 165.7° |
| C44 | C45 | H452 | H451 | 119.2° | 120.2° |
| C46 | C45 | C44 | O59 | 48.4° | 57.6° |
| C46 | C45 | C44 | O43 | 73.9° | 62.4° |
| C45 | C46 | C49 | O48 | 118.6° | 119.8° |
| C45 | C46 | C49 | C57 | 49.3° | 57.0° |
| C45 | C46 | C49 | O50 | 167.1° | 176.8° |
| C46 | C45 | C44 | H441 | 168.1° | 177.6° |
| C46 | C45 | H452 | H451 | 119.2° | 120.1° |
| C45 | C46 | C47 | H472 | 180.0° | 59.9° |
| C45 | C46 | C47 | H473 | 60.0° | 180.0° |
| C45 | C46 | C47 | H471 | 60.0° | 60.0° |
| C45 | C46 | C49 | H491 | 71.5° | 63.0° |
| C45 | C46 | O48 | H481 | 58.7° | 60.0° |
| O07 | C08 | O19 | C09 | 121.3° | 120.0° |
| O07 | C08 | O19 | H081 | 120.4° | 120.0° |
| O07 | C08 | C09 | H081 | 120.0° | 120.1° |
| O07 | C08 | O19 | C17 | 178.9° | 178.9° |
| O07 | C08 | C09 | O10 | 59.2° | 62.5° |
| O07 | C08 | C09 | C12 | 177.8° | 177.6° |
| C08 | O07 | C06 | H061 | 39.3° | 60.1° |
| C08 | O07 | C06 | H062 | 80.0° | 60.0° |
| O07 | C08 | C09 | H091 | 59.8° | 57.6° |
| O19 | C08 | C09 | H081 | 119.5° | 120.0° |
| C08 | O19 | C17 | C18 | 177.9° | 178.9° |
| C08 | O19 | C17 | C15 | 60.3° | 61.1° |
| O19 | C08 | C09 | O10 | 179.7° | 177.5° |
| O19 | C08 | C09 | C12 | 57.4° | 57.6° |
| C08 | O19 | C17 | H171 | 60.4° | 58.8° |
| O19 | C08 | C09 | H091 | 60.6° | 62.3° |
| C09 | C08 | O19 | C17 | 59.8° | 61.2° |
| C08 | C09 | C12 | O13 | 63.2° | 63.0° |
| C08 | C09 | O10 | C12 | 120.7° | 119.7° |
| C08 | C09 | O10 | H091 | 117.7° | 120.1° |
| C08 | C09 | O10 | C11 | 157.7° | 90.0° |
| C08 | C09 | C12 | H091 | 117.9° | 119.9° |
| C08 | C09 | C12 | C15 | 56.1° | 57.0° |
| C08 | C09 | C12 | H121 | 174.4° | 176.9° |
| O19 | C17 | C18 | C15 | 123.0° | 119.9° |
| O19 | C17 | C18 | H171 | 118.8° | 120.0° |
| O19 | C17 | C15 | H171 | 121.7° | 120.0° |
| O19 | C17 | C15 | C12 | 56.2° | 57.6° |
| O19 | C17 | C15 | O16 | 176.3° | 177.5° |
| O19 | C17 | C15 | H151 | 62.8° | 62.4° |
| O19 | C17 | C18 | H183 | 180.0° | 59.9° |
| O19 | C17 | C18 | H182 | 60.0° | 60.1° |
| O19 | C17 | C18 | H181 | 60.0° | 180.0° |
| C17 | O19 | C08 | H081 | 58.5° | 58.8° |
| C18 | C17 | C15 | H171 | 118.0° | 120.0° |
| C18 | C17 | C15 | C12 | 176.5° | 177.6° |
| C18 | C17 | C15 | O16 | 63.3° | 62.5° |
| C18 | C17 | C15 | H151 | 57.6° | 57.6° |
| C17 | C18 | H183 | H182 | 120.0° | 120.0° |
| C17 | C18 | H183 | H181 | 120.0° | 120.1° |
| C17 | C18 | H182 | H181 | 120.0° | 120.0° |
| C17 | C15 | C12 | O13 | 67.2° | 63.0° |
| C17 | C15 | C12 | C09 | 54.7° | 57.0° |
| C17 | C15 | C12 | O16 | 119.3° | 119.9° |
| C17 | C15 | C12 | H151 | 118.9° | 120.0° |
| C17 | C15 | O16 | H151 | 119.9° | 120.1° |
| C17 | C15 | C12 | H121 | 172.9° | 176.8° |
| C15 | C17 | C18 | H183 | 57.0° | 60.0° |
| C15 | C17 | C18 | H182 | 63.0° | 180.0° |
| C15 | C17 | C18 | H181 | 177.0° | 60.0° |
| C17 | C15 | O16 | H161 | 180.0° | 60.1° |
| C14 | O13 | C12 | C09 | 92.3° | 150.4° |
| C14 | O13 | C12 | C15 | 147.9° | 90.0° |
| C14 | O13 | C12 | H121 | 29.1° | 30.2° |
| O13 | C14 | H143 | H141 | 120.0° | 120.0° |
| O13 | C14 | H143 | H142 | 120.0° | 120.0° |
| O13 | C14 | H141 | H142 | 120.0° | 120.0° |
| O13 | C12 | C09 | O10 | 56.1° | 56.9° |
| O13 | C12 | C09 | C15 | 119.3° | 120.0° |
| O13 | C12 | C09 | H121 | 122.4° | 120.2° |
| O13 | C12 | C15 | H121 | 119.9° | 120.2° |
| O13 | C12 | C15 | O16 | 52.2° | 56.9° |
| O13 | C12 | C15 | H151 | 173.9° | 177.0° |
| C12 | O13 | C14 | H143 | 180.0° | 60.0° |
| C12 | O13 | C14 | H141 | 60.0° | 179.9° |
| C12 | O13 | C14 | H142 | 60.0° | 60.0° |
| O13 | C12 | C09 | H091 | 178.9° | 177.1° |
| O59 | C44 | O43 | H441 | 119.3° | 120.1° |
| C44 | O59 | C57 | C49 | 63.0° | 61.2° |
| O59 | C44 | O43 | C42 | 94.7° | 74.4° |
| C44 | O59 | C57 | C58 | 178.5° | 178.8° |
| O59 | C44 | C45 | H452 | 71.9° | 62.3° |
| O59 | C44 | C45 | H451 | 168.7° | 177.5° |
| C44 | O59 | C57 | H571 | 57.9° | 58.9° |
| C44 | O43 | C42 | C38 | 71.6° | 142.6° |
| O43 | C44 | O59 | C57 | 63.5° | 58.8° |
| C44 | O43 | C42 | C60 | 53.5° | 97.8° |
| C44 | O43 | C42 | H421 | 171.8° | 22.4° |
| O43 | C44 | C45 | H452 | 165.8° | 177.7° |
| O43 | C44 | C45 | H451 | 46.4° | 57.5° |
| C46 | C49 | C57 | O59 | 56.4° | 57.6° |
| C46 | C49 | C57 | O50 | 118.6° | 119.9° |
| C46 | C49 | C57 | H491 | 120.7° | 119.9° |
| C46 | C49 | O50 | H491 | 120.5° | 120.2° |
| C46 | C49 | O50 | C51 | 106.5° | 150.0° |
| C46 | C49 | C57 | C58 | 176.6° | 177.6° |
| C49 | C46 | C45 | H452 | 75.1° | 62.9° |
| C49 | C46 | C45 | H451 | 165.5° | 176.9° |
| C49 | C46 | C47 | H472 | 58.6° | 179.5° |
| C49 | C46 | C47 | H473 | 61.4° | 60.4° |
| C49 | C46 | C47 | H471 | 178.6° | 59.6° |
| C46 | C49 | C57 | H571 | 65.4° | 62.4° |
| C49 | C46 | O48 | H481 | 62.5° | 179.6° |
| O48 | C46 | C49 | C57 | 69.4° | 62.9° |
| O48 | C46 | C49 | O50 | 48.4° | 57.0° |
| O48 | C46 | C45 | H452 | 165.7° | 177.2° |
| O48 | C46 | C45 | H451 | 46.3° | 57.1° |
| O48 | C46 | C47 | H472 | 60.1° | 60.3° |
| O48 | C46 | C47 | H473 | 179.9° | 59.8° |
| O48 | C46 | C47 | H471 | 59.9° | 179.8° |
| O48 | C46 | C49 | H491 | 169.8° | 177.2° |
| O56 | C51 | O50 | C49 | 1.4° | 0.1° |
| O56 | C51 | O50 | C52 | 180.0° | 180.0° |
| O56 | C51 | C52 | C53 | 76.5° | 0.0° |
| O56 | C51 | C52 | H521 | 43.6° | 120.0° |
| O56 | C51 | C52 | H522 | 163.5° | 120.0° |
| N39 | C38 | C36 | C42 | 119.7° | 119.8° |
| N39 | C38 | C36 | H381 | 121.6° | 120.2° |
| N39 | C38 | C42 | H381 | 116.8° | 120.2° |
| N39 | C38 | C36 | C35 | 171.5° | 176.8° |
| N39 | C38 | C42 | O43 | 61.0° | 63.3° |
| N39 | C38 | C42 | C60 | 173.7° | 176.8° |
| N39 | C38 | C36 | H361 | 53.8° | 56.9° |
| C38 | N39 | C40 | H402 | 180.0° | 68.2° |
| C38 | N39 | C40 | H401 | 60.0° | 171.7° |
| C38 | N39 | C40 | H403 | 60.0° | 51.8° |
| C38 | N39 | C41 | H411 | 54.9° | 60.0° |
| C38 | N39 | C41 | H412 | 174.9° | 180.0° |
| C38 | N39 | C41 | H413 | 65.1° | 60.0° |
| N39 | C38 | C42 | H421 | 56.2° | 56.9° |
| C36 | C38 | C42 | H381 | 118.7° | 119.9° |
| C36 | C38 | N39 | C41 | 35.8° | 50.4° |
| C38 | C36 | C35 | H361 | 117.8° | 119.9° |
| C38 | C36 | C35 | O34 | 172.5° | 177.6° |
| C38 | C36 | C35 | O62 | 64.2° | 57.6° |
| C36 | C38 | C42 | O43 | 174.5° | 176.9° |
| C36 | C38 | C42 | C60 | 49.1° | 57.0° |
| C38 | C36 | C35 | H351 | 55.0° | 62.3° |
| C36 | C38 | C42 | H421 | 68.3° | 62.9° |
| C38 | C36 | O37 | H371 | 180.0° | 179.7° |
| C42 | C38 | N39 | C41 | 86.5° | 69.1° |
| C42 | C38 | C36 | C35 | 51.8° | 57.0° |
| C38 | C42 | O43 | C60 | 125.2° | 119.7° |
| C38 | C42 | O43 | H421 | 116.6° | 120.2° |
| C38 | C42 | C60 | H421 | 117.3° | 119.9° |
| C38 | C42 | C60 | O62 | 52.8° | 57.6° |
| C38 | C42 | C60 | C61 | 170.5° | 177.6° |
| C42 | C38 | C36 | H361 | 65.9° | 62.9° |
| C38 | C42 | C60 | H601 | 69.8° | 62.3° |
| C41 | N39 | C38 | H381 | 157.1° | 170.6° |
| C41 | N39 | C40 | H402 | 54.2° | 55.8° |
| C41 | N39 | C40 | H401 | 174.2° | 64.3° |
| C41 | N39 | C40 | H403 | 65.8° | 175.8° |
| N39 | C41 | H411 | H412 | 120.0° | 120.1° |
| N39 | C41 | H411 | H413 | 120.0° | 120.0° |
| N39 | C41 | H412 | H413 | 120.0° | 120.0° |
| C36 | C35 | O34 | O62 | 123.4° | 120.0° |
| C36 | C35 | O34 | H351 | 116.6° | 120.1° |
| C36 | C35 | O34 | C33 | 179.3° | 169.8° |
| C36 | C35 | O62 | H351 | 118.0° | 120.0° |
| C36 | C35 | O62 | C60 | 70.0° | 61.2° |
| C35 | C36 | C38 | H381 | 66.9° | 62.9° |
| C35 | C36 | O37 | H371 | 63.8° | 60.0° |
| O34 | C35 | O62 | H351 | 119.6° | 120.0° |
| C35 | O34 | C33 | C29 | 126.5° | 141.1° |
| O34 | C35 | O62 | C60 | 167.5° | 178.8° |
| C35 | O34 | C33 | H331 | 8.8° | 21.0° |
| O34 | C35 | C36 | H361 | 69.7° | 57.7° |
| C33 | O34 | C35 | O62 | 55.9° | 70.2° |
| O34 | C33 | C29 | H331 | 118.4° | 119.9° |
| O34 | C33 | C29 | C28 | 51.6° | 53.3° |
| O34 | C33 | C29 | C30 | 68.9° | 66.7° |
| O34 | C33 | C29 | H291 | 170.4° | 173.3° |
| C33 | O34 | C35 | H351 | 64.1° | 49.7° |
| O34 | C33 | C63 | H631 | 122.8° | 58.9° |
| O59 | C57 | C49 | C58 | 120.2° | 119.9° |
| O59 | C57 | C49 | H571 | 121.8° | 120.0° |
| O59 | C57 | C49 | O50 | 175.0° | 177.5° |
| O59 | C57 | C58 | H571 | 121.7° | 120.0° |
| C57 | O59 | C44 | H441 | 177.6° | 178.8° |
| O59 | C57 | C49 | H491 | 64.3° | 62.3° |
| O59 | C57 | C58 | H582 | 180.0° | 179.9° |
| O59 | C57 | C58 | H581 | 60.0° | 60.1° |
| O59 | C57 | C58 | H583 | 60.0° | 59.9° |
| C35 | O62 | C60 | C42 | 62.6° | 61.1° |
| C35 | O62 | C60 | C61 | 178.7° | 178.9° |
| O62 | C35 | C36 | H361 | 53.6° | 62.3° |
| C35 | O62 | C60 | H601 | 59.4° | 58.8° |
| C33 | C29 | C28 | C30 | 120.9° | 120.0° |
| C33 | C29 | C28 | H291 | 119.2° | 119.9° |
| C33 | C29 | C28 | C26 | 173.6° | 87.5° |
| C33 | C29 | C30 | H291 | 120.7° | 120.0° |
| C33 | C29 | C30 | C31 | 65.7° | 174.0° |
| C33 | C29 | C28 | H281 | 65.8° | 32.4° |
| C33 | C29 | C28 | H282 | 53.0° | 152.5° |
| C33 | C29 | C30 | H301 | 54.5° | 54.0° |
| C33 | C29 | C30 | H302 | 174.0° | 66.0° |
| C29 | C33 | C63 | H631 | 0.9° | 61.1° |
| O10 | C09 | C12 | H091 | 122.8° | 120.2° |
| O10 | C09 | C12 | C15 | 175.4° | 176.9° |
| C09 | O10 | C11 | H112 | 180.0° | 180.0° |
| C09 | O10 | C11 | H113 | 60.0° | 60.0° |
| C09 | O10 | C11 | H111 | 60.0° | 60.0° |
| O10 | C09 | C12 | H121 | 66.3° | 63.2° |
| O10 | C09 | C08 | H081 | 60.8° | 57.6° |
| C11 | O10 | C09 | C12 | 81.6° | 150.3° |
| O10 | C11 | H112 | H113 | 120.0° | 120.0° |
| O10 | C11 | H112 | H111 | 120.0° | 120.0° |
| O10 | C11 | H113 | H111 | 120.0° | 120.0° |
| C11 | O10 | C09 | H091 | 40.1° | 30.1° |
| C57 | C49 | O50 | H491 | 119.7° | 120.2° |
| C57 | C49 | O50 | C51 | 133.7° | 90.4° |
| C49 | C57 | C58 | H571 | 118.2° | 120.1° |
| C49 | C57 | C58 | H582 | 59.9° | 60.0° |
| C49 | C57 | C58 | H581 | 179.9° | 180.0° |
| C49 | C57 | C58 | H583 | 60.1° | 60.0° |
| C49 | O50 | C51 | C52 | 178.7° | 180.0° |
| O50 | C49 | C57 | C58 | 64.7° | 62.5° |
| O50 | C49 | C57 | H571 | 53.3° | 57.5° |
| C23 | C24 | C25 | H241 | 120.2° | 120.0° |
| C23 | C24 | C25 | H3 | 120.2° | 120.0° |
| C23 | C24 | C25 | C26 | 173.4° | 180.0° |
| C23 | C24 | C25 | O74 | 6.5° | 0.0° |
| C24 | C23 | C21 | H2 | 47.3° | 55.0° |
| C23 | C24 | H241 | H3 | 119.5° | 120.0° |
| C24 | C23 | H4 | H231 | 119.9° | 120.0° |
| C09 | C12 | C15 | H121 | 118.2° | 119.9° |
| C09 | C12 | C15 | O16 | 174.0° | 176.9° |
| C09 | C12 | C15 | H151 | 64.2° | 63.0° |
| C12 | C09 | C08 | H081 | 62.2° | 62.3° |
| C24 | C25 | C26 | C28 | 46.1° | 155.0° |
| C24 | C25 | C26 | C27 | 73.2° | 85.0° |
| C24 | C25 | C26 | O74 | 179.9° | 180.0° |
| C25 | C24 | H241 | H3 | 119.5° | 119.9° |
| C24 | C25 | C26 | H261 | 166.0° | 35.0° |
| C25 | C24 | C23 | H4 | 77.5° | 60.1° |
| C25 | C24 | C23 | H231 | 42.4° | 60.0° |
| C12 | C15 | O16 | H151 | 120.8° | 120.1° |
| C12 | C15 | C17 | H171 | 65.4° | 62.4° |
| C15 | C12 | C09 | H091 | 61.8° | 62.9° |
| C12 | C15 | O16 | H161 | 60.8° | 179.8° |
| O16 | C15 | C17 | H171 | 54.7° | 57.5° |
| O16 | C15 | C12 | H121 | 67.8° | 63.3° |
| O43 | C42 | C60 | H421 | 118.6° | 120.2° |
| O43 | C42 | C60 | O62 | 176.9° | 177.5° |
| O43 | C42 | C60 | C61 | 65.5° | 62.5° |
| O43 | C42 | C38 | H381 | 55.8° | 57.0° |
| C42 | O43 | C44 | H441 | 24.6° | 45.7° |
| O43 | C42 | C60 | H601 | 54.2° | 57.6° |
| O50 | C51 | C52 | C53 | 103.5° | 180.0° |
| C51 | O50 | C49 | H491 | 13.9° | 29.8° |
| O50 | C51 | C52 | H521 | 136.5° | 60.0° |
| O50 | C51 | C52 | H522 | 16.6° | 60.0° |
| C51 | C52 | C53 | C54 | 73.1° | 175.0° |
| C51 | C52 | C53 | H521 | 120.1° | 120.0° |
| C51 | C52 | C53 | H522 | 120.0° | 120.0° |
| C51 | C52 | C53 | C55 | 45.5° | 65.0° |
| C51 | C52 | H521 | H522 | 119.8° | 120.0° |
| C51 | C52 | C53 | H531 | 166.3° | 55.0° |
| C58 | C57 | C49 | H491 | 55.9° | 57.7° |
| C57 | C58 | H582 | H581 | 120.0° | 120.0° |
| C57 | C58 | H582 | H583 | 120.0° | 120.0° |
| C57 | C58 | H581 | H583 | 120.0° | 120.1° |
| C42 | C60 | O62 | C61 | 118.7° | 120.0° |
| C42 | C60 | O62 | H601 | 121.9° | 120.0° |
| C42 | C60 | C61 | H601 | 119.8° | 120.1° |
| C60 | C42 | C38 | H381 | 69.5° | 62.9° |
| C42 | C60 | C61 | H611 | 180.0° | 59.0° |
| C42 | C60 | C61 | H612 | 60.0° | 179.1° |
| C42 | C60 | C61 | H613 | 60.0° | 61.0° |
| C29 | C28 | C26 | H281 | 120.6° | 120.0° |
| C29 | C28 | C26 | H282 | 120.6° | 120.0° |
| C28 | C29 | C30 | H291 | 119.5° | 120.0° |
| C29 | C28 | C26 | C27 | 178.8° | 62.7° |
| C29 | C28 | C26 | C25 | 61.2° | 177.3° |
| C28 | C29 | C30 | C31 | 174.5° | 66.0° |
| C29 | C28 | C26 | H261 | 58.6° | 57.3° |
| C29 | C28 | H281 | H282 | 118.2° | 120.0° |
| C28 | C29 | C30 | H301 | 65.2° | 174.0° |
| C28 | C29 | C30 | H302 | 54.2° | 54.0° |
| C28 | C29 | C33 | H331 | 170.0° | 173.3° |
| C26 | C28 | C29 | C30 | 65.5° | 152.4° |
| C28 | C26 | C27 | C25 | 117.4° | 120.0° |
| C28 | C26 | C27 | H261 | 122.2° | 120.0° |
| C28 | C26 | C25 | H261 | 119.9° | 120.0° |
| C28 | C26 | C25 | O74 | 133.9° | 25.0° |
| C26 | C28 | H281 | H282 | 118.2° | 120.0° |
| C28 | C26 | C27 | H271 | 180.0° | 172.9° |
| C28 | C26 | C27 | H273 | 60.0° | 67.1° |
| C28 | C26 | C27 | H272 | 60.0° | 52.8° |
| C26 | C28 | C29 | H291 | 54.4° | 32.4° |
| O62 | C60 | C61 | H601 | 120.1° | 120.0° |
| C60 | O62 | C35 | H351 | 47.9° | 58.9° |
| O62 | C60 | C42 | H421 | 64.5° | 62.3° |
| O62 | C60 | C61 | H611 | 59.9° | 60.9° |
| O62 | C60 | C61 | H612 | 179.9° | 59.1° |
| O62 | C60 | C61 | H613 | 60.1° | 179.1° |
| C61 | C60 | C42 | H421 | 53.1° | 57.7° |
| C60 | C61 | H611 | H612 | 120.0° | 120.0° |
| C60 | C61 | H611 | H613 | 120.0° | 120.0° |
| C60 | C61 | H612 | H613 | 120.0° | 120.0° |
| C29 | C30 | C31 | O32 | 16.1° | 124.8° |
| C29 | C30 | C31 | H301 | 120.3° | 120.0° |
| C29 | C30 | C31 | H302 | 120.3° | 120.0° |
| C30 | C29 | C28 | H281 | 55.1° | 87.6° |
| C30 | C29 | C28 | H282 | 173.9° | 32.4° |
| C29 | C30 | H301 | H302 | 119.2° | 120.0° |
| C29 | C30 | C31 | H311 | 163.9° | 55.3° |
| C30 | C29 | C33 | H331 | 49.4° | 53.3° |
| C54 | C53 | C52 | C55 | 118.5° | 120.0° |
| C54 | C53 | C52 | H531 | 120.7° | 120.0° |
| C54 | C53 | C55 | H531 | 121.4° | 120.0° |
| C54 | C53 | C52 | H521 | 47.0° | 55.0° |
| C54 | C53 | C52 | H522 | 166.9° | 65.0° |
| C53 | C54 | H542 | H543 | 120.0° | 120.1° |
| C53 | C54 | H542 | H541 | 120.0° | 120.0° |
| C53 | C54 | H543 | H541 | 120.0° | 120.0° |
| C54 | C53 | C55 | H551 | 180.0° | 60.0° |
| C54 | C53 | C55 | H553 | 60.0° | 180.0° |
| C54 | C53 | C55 | H552 | 60.0° | 60.0° |
| C27 | C26 | C25 | H261 | 120.8° | 120.0° |
| C27 | C26 | C25 | O74 | 106.8° | 95.0° |
| C27 | C26 | C28 | H281 | 60.6° | 177.4° |
| C27 | C26 | C28 | H282 | 58.2° | 57.3° |
| C26 | C27 | H271 | H273 | 120.0° | 120.0° |
| C26 | C27 | H271 | H272 | 120.0° | 120.0° |
| C26 | C27 | H273 | H272 | 120.0° | 120.0° |
| C26 | C25 | C24 | H241 | 66.4° | 60.0° |
| C26 | C25 | C24 | H3 | 53.3° | 60.0° |
| C25 | C26 | C28 | H281 | 178.1° | 57.4° |
| C25 | C26 | C28 | H282 | 59.3° | 62.7° |
| C25 | C26 | C27 | H271 | 62.6° | 52.8° |
| C25 | C26 | C27 | H273 | 177.4° | 172.8° |
| C25 | C26 | C27 | H272 | 57.4° | 67.2° |
| O74 | C25 | C24 | H241 | 113.7° | 120.0° |
| O74 | C25 | C24 | H3 | 126.7° | 120.0° |
| O74 | C25 | C26 | H261 | 14.1° | 145.0° |
| C52 | C53 | C55 | H531 | 120.7° | 120.0° |
| C53 | C52 | H521 | H522 | 119.8° | 120.0° |
| C52 | C53 | C54 | H542 | 180.0° | 60.0° |
| C52 | C53 | C54 | H543 | 60.0° | 180.0° |
| C52 | C53 | C54 | H541 | 60.0° | 60.0° |
| C52 | C53 | C55 | H551 | 62.2° | 60.0° |
| C52 | C53 | C55 | H553 | 57.8° | 60.0° |
| C52 | C53 | C55 | H552 | 177.9° | 180.0° |
| O32 | C31 | C30 | H311 | 180.0° | 179.9° |
| O32 | C31 | C30 | H301 | 136.4° | 4.8° |
| O32 | C31 | C30 | H302 | 104.2° | 115.2° |
| C55 | C53 | C52 | H521 | 165.6° | 175.1° |
| C55 | C53 | C52 | H522 | 74.6° | 55.0° |
| C55 | C53 | C54 | H542 | 61.9° | 60.1° |
| C55 | C53 | C54 | H543 | 58.1° | 60.0° |
| C55 | C53 | C54 | H541 | 178.1° | 180.0° |
| C53 | C55 | H551 | H553 | 120.0° | 120.0° |
| C53 | C55 | H551 | H552 | 120.0° | 120.0° |
| C53 | C55 | H553 | H552 | 120.0° | 120.0° |
| C31 | C30 | C29 | H291 | 55.0° | 54.0° |
| C31 | C30 | H301 | H302 | 119.2° | 120.1° |
| H151 | C15 | C17 | H171 | 175.6° | 177.6° |
| H151 | C15 | C12 | H121 | 53.9° | 56.9° |
| H151 | C15 | O16 | H161 | 60.1° | 60.0° |
| H171 | C17 | C18 | H183 | 61.2° | 180.0° |
| H171 | C17 | C18 | H182 | 178.8° | 60.0° |
| H171 | C17 | C18 | H181 | 58.8° | 60.0° |
| H201 | C20 | C21 | H2 | 147.0° | 65.8° |
| H201 | C20 | C05 | H051 | 139.5° | 175.1° |
| H1 | C20 | C21 | H2 | 29.1° | 174.1° |
| H1 | C20 | C05 | H051 | 102.6° | 64.8° |
| H2 | C21 | C22 | H223 | 66.0° | 60.0° |
| H2 | C21 | C22 | H221 | 54.0° | 60.0° |
| H2 | C21 | C22 | H222 | 174.0° | 179.9° |
| H2 | C21 | C23 | H4 | 167.4° | 175.0° |
| H2 | C21 | C23 | H231 | 72.7° | 65.0° |
| H223 | C22 | H221 | H222 | 120.0° | 120.0° |
| H241 | C24 | C23 | H4 | 162.3° | 179.9° |
| H241 | C24 | C23 | H231 | 77.7° | 60.0° |
| H3 | C24 | C23 | H4 | 42.7° | 59.9° |
| H3 | C24 | C23 | H231 | 162.6° | 180.0° |
| H261 | C26 | C28 | H281 | 62.0° | 62.7° |
| H261 | C26 | C28 | H282 | 179.2° | 177.3° |
| H261 | C26 | C27 | H271 | 57.8° | 67.1° |
| H261 | C26 | C27 | H273 | 62.2° | 52.9° |
| H261 | C26 | C27 | H272 | 177.8° | 172.8° |
| H281 | C28 | C29 | H291 | 175.0° | 152.4° |
| H282 | C28 | C29 | H291 | 66.2° | 87.6° |
| H112 | C11 | H113 | H111 | 120.0° | 120.0° |
| H121 | C12 | C09 | H091 | 56.5° | 57.0° |
| H143 | C14 | H141 | H142 | 120.0° | 120.1° |
| H183 | C18 | H182 | H181 | 120.0° | 120.0° |
| H271 | C27 | H273 | H272 | 120.0° | 120.0° |
| H291 | C29 | C30 | H301 | 175.2° | 66.0° |
| H291 | C29 | C30 | H302 | 65.3° | 174.0° |
| H291 | C29 | C33 | H331 | 71.2° | 66.8° |
| H301 | C30 | C31 | H311 | 43.6° | 175.3° |
| H302 | C30 | C31 | H311 | 75.8° | 64.7° |
| H013 | C01 | H011 | H012 | 120.0° | 120.0° |
| H013 | C01 | C02 | H022 | 60.3° | 60.0° |
| H013 | C01 | C02 | H021 | 60.3° | 180.0° |
| H011 | C01 | C02 | H022 | 59.7° | 180.0° |
| H011 | C01 | C02 | H021 | 179.7° | 60.0° |
| H012 | C01 | C02 | H022 | 179.7° | 60.0° |
| H012 | C01 | C02 | H021 | 59.7° | 60.0° |
| H022 | C02 | C03 | H031 | 169.7° | 176.5° |
| H021 | C02 | C03 | H031 | 49.1° | 63.6° |
| H031 | C03 | C05 | H051 | 176.6° | 62.6° |
| H031 | C03 | O04 | H041 | 125.6° | 54.9° |
| H051 | C05 | C06 | H061 | 42.7° | 176.0° |
| H051 | C05 | C06 | H062 | 76.6° | 64.0° |
| H081 | C08 | C09 | H091 | 179.9° | 177.7° |
| H331 | C33 | C63 | H631 | 117.7° | 178.8° |
| H351 | C35 | C36 | H361 | 172.8° | 177.7° |
| H361 | C36 | C38 | H381 | 175.4° | 177.1° |
| H361 | C36 | O37 | H371 | 58.0° | 60.2° |
| H381 | C38 | C42 | H421 | 173.0° | 177.2° |
| H402 | C40 | H401 | H403 | 120.0° | 120.0° |
| H411 | C41 | H412 | H413 | 120.0° | 120.0° |
| H421 | C42 | C60 | H601 | 172.9° | 177.8° |
| H441 | C44 | C45 | H452 | 47.8° | 57.7° |
| H441 | C44 | C45 | H451 | 71.7° | 62.5° |
| H472 | C47 | H473 | H471 | 120.0° | 120.0° |
| H491 | C49 | C57 | H571 | 173.9° | 177.7° |
| H521 | C52 | C53 | H531 | 73.7° | 65.0° |
| H522 | C52 | C53 | H531 | 46.2° | 175.0° |
| H531 | C53 | C54 | H542 | 59.5° | 180.0° |
| H531 | C53 | C54 | H543 | 179.4° | 60.0° |
| H531 | C53 | C54 | H541 | 60.6° | 60.1° |
| H531 | C53 | C55 | H551 | 58.6° | 180.0° |
| H531 | C53 | C55 | H553 | 178.6° | 60.0° |
| H531 | C53 | C55 | H552 | 61.4° | 60.0° |
| H542 | C54 | H543 | H541 | 120.0° | 120.0° |
| H551 | C55 | H553 | H552 | 120.0° | 120.0° |
| H571 | C57 | C58 | H582 | 58.3° | 60.1° |
| H571 | C57 | C58 | H581 | 61.7° | 59.9° |
| H571 | C57 | C58 | H583 | 178.3° | 179.9° |
| H582 | C58 | H581 | H583 | 120.0° | 120.0° |
| H601 | C60 | C61 | H611 | 60.2° | 179.1° |
| H601 | C60 | C61 | H612 | 59.8° | 60.9° |
| H601 | C60 | C61 | H613 | 179.8° | 59.1° |
| H611 | C61 | H612 | H613 | 120.0° | 120.0° |
| H631 | C63 | C64 | H642 | 59.4° | 174.6° |
| H631 | C63 | C64 | H643 | 179.4° | 65.3° |
| H631 | C63 | C64 | H641 | 60.6° | 54.6° |
| H631 | C63 | C65 | H651 | 78.9° | 66.0° |
| H642 | C64 | H643 | H641 | 120.0° | 120.0° |
| H651 | C65 | C70 | H701 | 84.3° | 65.0° |
| H651 | C65 | C70 | H702 | 156.8° | 175.0° |
| H682 | C68 | H681 | H683 | 119.9° | 120.0° |
