D9X
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N65 | C74 | sing | 1.50Å | 1.50Å | |
| N65 | C66 | sing | 1.50Å | 1.50Å | |
| N65 | C64 | sing | 1.51Å | 1.51Å | |
| C74 | C73 | sing | 1.53Å | 1.53Å | |
| C66 | C67 | sing | 1.53Å | 1.53Å | |
| C64 | C63 | doub | 1.57Å | 1.57Å | Aromatic |
| C64 | C75 | sing | 1.56Å | 1.56Å | Aromatic |
| C63 | C47 | sing | 1.56Å | 1.56Å | Aromatic |
| C75 | C76 | doub | 1.56Å | 1.56Å | Aromatic |
| O48 | C47 | sing | 1.45Å | 1.45Å | |
| O48 | C49 | sing | 1.45Å | 1.45Å | |
| C69 | N68 | sing | 1.52Å | 1.52Å | |
| C69 | C70 | sing | 1.59Å | 1.59Å | |
| C47 | C46 | doub | 1.59Å | 1.59Å | Aromatic |
| C73 | N68 | sing | 1.43Å | 1.43Å | |
| C67 | N68 | sing | 1.43Å | 1.43Å | |
| C71 | C70 | sing | 1.55Å | 1.55Å | |
| C76 | C46 | sing | 1.52Å | 1.52Å | Aromatic |
| C76 | O77 | sing | 1.44Å | 1.44Å | |
| C46 | N45 | sing | 1.46Å | 1.46Å | |
| C62 | C61 | doub | 1.55Å | 1.55Å | Aromatic |
| C62 | C50 | sing | 1.54Å | 1.54Å | Aromatic |
| C70 | C72 | sing | 1.59Å | 1.59Å | |
| C49 | C50 | sing | 1.59Å | 1.59Å | |
| O77 | C78 | sing | 1.44Å | 1.44Å | |
| N45 | C44 | doub | 1.46Å | 1.46Å | |
| C61 | C53 | sing | 1.54Å | 1.54Å | Aromatic |
| O39 | C06 | doub | 1.19Å | 1.19Å | |
| C50 | C51 | doub | 1.54Å | 1.54Å | Aromatic |
| C38 | C07 | sing | 1.48Å | 1.48Å | |
| C78 | C44 | sing | 1.52Å | 1.52Å | |
| C78 | C79 | sing | 1.54Å | 1.54Å | |
| C44 | C43 | sing | 1.57Å | 1.57Å | |
| C06 | C07 | sing | 1.52Å | 1.52Å | |
| C06 | C05 | sing | 1.45Å | 1.45Å | |
| N80 | C79 | sing | 1.49Å | 1.49Å | |
| N80 | C25 | sing | 1.52Å | 1.52Å | |
| C79 | C81 | sing | 1.55Å | 1.55Å | |
| C43 | C05 | doub | 1.62Å | 1.62Å | Aromatic |
| C43 | C42 | sing | 1.51Å | 1.51Å | Aromatic |
| C27 | C24 | sing | 1.51Å | 1.51Å | |
| C07 | O04 | sing | 1.47Å | 1.47Å | |
| C07 | O08 | sing | 1.47Å | 1.47Å | |
| C05 | C03 | sing | 1.43Å | 1.43Å | Aromatic |
| C53 | C54 | sing | 1.56Å | 1.56Å | |
| C53 | C52 | doub | 1.53Å | 1.53Å | Aromatic |
| C51 | C52 | sing | 1.55Å | 1.55Å | Aromatic |
| C24 | C23 | doub | 1.36Å | 1.36Å | |
| C24 | C25 | sing | 1.57Å | 1.57Å | |
| C23 | C22 | sing | 1.58Å | 1.58Å | |
| C81 | C42 | sing | 1.54Å | 1.54Å | |
| C81 | O82 | doub | 1.18Å | 1.18Å | |
| C42 | C40 | doub | 1.56Å | 1.56Å | Aromatic |
| C25 | O26 | doub | 1.20Å | 1.20Å | |
| C54 | N55 | sing | 1.50Å | 1.50Å | |
| O04 | C03 | sing | 1.49Å | 1.49Å | |
| C03 | C02 | doub | 1.60Å | 1.60Å | Aromatic |
| C22 | C21 | doub | 1.34Å | 1.34Å | |
| O08 | C09 | sing | 1.44Å | 1.44Å | |
| C28 | C20 | sing | 1.54Å | 1.54Å | |
| C30 | C14 | sing | 1.53Å | 1.53Å | |
| C56 | N55 | sing | 1.44Å | 1.44Å | |
| C56 | C57 | sing | 1.54Å | 1.54Å | |
| N55 | C60 | sing | 1.44Å | 1.44Å | |
| C09 | C10 | doub | 1.34Å | 1.34Å | |
| C40 | C02 | sing | 1.55Å | 1.55Å | Aromatic |
| C40 | O41 | sing | 1.42Å | 1.42Å | |
| C02 | C01 | sing | 1.56Å | 1.56Å | |
| C21 | C20 | sing | 1.54Å | 1.54Å | |
| C57 | O58 | sing | 1.43Å | 1.43Å | |
| C12 | C35 | sing | 1.50Å | 1.50Å | |
| C12 | C11 | sing | 1.55Å | 1.55Å | |
| C12 | C13 | sing | 1.55Å | 1.55Å | |
| C20 | C18 | sing | 1.53Å | 1.53Å | |
| C10 | C11 | sing | 1.54Å | 1.54Å | |
| C14 | C13 | sing | 1.55Å | 1.55Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C18 | C17 | sing | 1.53Å | 1.53Å | |
| C18 | O19 | sing | 1.41Å | 1.41Å | |
| C60 | C59 | sing | 1.53Å | 1.53Å | |
| O58 | C59 | sing | 1.43Å | 1.43Å | |
| C11 | O36 | sing | 1.39Å | 1.39Å | |
| O31 | C13 | sing | 1.40Å | 1.40Å | |
| O31 | C32 | sing | 1.43Å | 1.43Å | |
| C17 | C15 | sing | 1.54Å | 1.54Å | |
| C17 | C29 | sing | 1.53Å | 1.53Å | |
| C15 | O16 | sing | 1.40Å | 1.40Å | |
| C32 | C33 | sing | 1.57Å | 1.57Å | |
| C32 | O34 | doub | 1.18Å | 1.18Å | |
| O36 | C37 | sing | 1.44Å | 1.44Å | |
| C01 | H011 | sing | 1.10Å | 1.10Å | |
| C01 | H013 | sing | 1.10Å | 1.10Å | |
| C01 | H012 | sing | 1.10Å | 1.10Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C11 | H111 | sing | 1.10Å | 1.10Å | |
| C12 | H121 | sing | 1.10Å | 1.10Å | |
| C13 | H131 | sing | 1.10Å | 1.10Å | |
| C14 | H141 | sing | 1.10Å | 1.10Å | |
| C15 | H151 | sing | 1.10Å | 1.10Å | |
| C17 | H171 | sing | 1.10Å | 1.10Å | |
| C18 | H181 | sing | 1.10Å | 1.10Å | |
| C20 | H201 | sing | 1.10Å | 1.10Å | |
| C21 | H211 | sing | 1.08Å | 1.08Å | |
| C22 | H221 | sing | 1.08Å | 1.08Å | |
| C23 | H231 | sing | 1.08Å | 1.08Å | |
| C27 | H273 | sing | 1.10Å | 1.10Å | |
| C27 | H271 | sing | 1.10Å | 1.10Å | |
| C27 | H272 | sing | 1.10Å | 1.10Å | |
| C28 | H283 | sing | 1.10Å | 1.10Å | |
| C28 | H282 | sing | 1.10Å | 1.10Å | |
| C28 | H281 | sing | 1.10Å | 1.10Å | |
| C29 | H292 | sing | 1.10Å | 1.10Å | |
| C29 | H293 | sing | 1.10Å | 1.10Å | |
| C29 | H291 | sing | 1.10Å | 1.10Å | |
| C30 | H303 | sing | 1.10Å | 1.10Å | |
| C30 | H302 | sing | 1.10Å | 1.10Å | |
| C30 | H301 | sing | 1.10Å | 1.10Å | |
| C33 | H331 | sing | 1.10Å | 1.10Å | |
| C33 | H333 | sing | 1.10Å | 1.10Å | |
| C33 | H332 | sing | 1.10Å | 1.10Å | |
| C35 | H352 | sing | 1.10Å | 1.10Å | |
| C35 | H353 | sing | 1.10Å | 1.10Å | |
| C35 | H351 | sing | 1.10Å | 1.10Å | |
| C37 | H371 | sing | 1.10Å | 1.10Å | |
| C37 | H373 | sing | 1.10Å | 1.10Å | |
| C37 | H372 | sing | 1.10Å | 1.10Å | |
| C38 | H382 | sing | 1.10Å | 1.10Å | |
| C38 | H383 | sing | 1.10Å | 1.10Å | |
| C38 | H381 | sing | 1.10Å | 1.10Å | |
| C49 | H491 | sing | 1.10Å | 1.10Å | |
| C49 | H492 | sing | 1.10Å | 1.10Å | |
| C51 | H511 | sing | 1.08Å | 1.08Å | |
| C52 | H521 | sing | 1.08Å | 1.08Å | |
| C54 | H541 | sing | 1.10Å | 1.10Å | |
| C54 | H542 | sing | 1.10Å | 1.10Å | |
| C56 | H562 | sing | 1.10Å | 1.10Å | |
| C56 | H561 | sing | 1.10Å | 1.10Å | |
| C57 | H571 | sing | 1.10Å | 1.10Å | |
| C57 | H572 | sing | 1.10Å | 1.10Å | |
| C59 | H591 | sing | 1.10Å | 1.10Å | |
| C59 | H592 | sing | 1.10Å | 1.10Å | |
| C60 | H602 | sing | 1.10Å | 1.10Å | |
| C60 | H601 | sing | 1.10Å | 1.10Å | |
| C61 | H611 | sing | 1.08Å | 1.08Å | |
| C62 | H621 | sing | 1.08Å | 1.08Å | |
| C63 | H631 | sing | 1.08Å | 1.08Å | |
| C66 | H662 | sing | 1.10Å | 1.10Å | |
| C66 | H661 | sing | 1.10Å | 1.10Å | |
| C67 | H672 | sing | 1.10Å | 1.10Å | |
| C67 | H671 | sing | 1.10Å | 1.10Å | |
| C69 | H691 | sing | 1.10Å | 1.10Å | |
| C69 | H692 | sing | 1.10Å | 1.10Å | |
| C70 | H701 | sing | 1.10Å | 1.10Å | |
| C71 | H711 | sing | 1.10Å | 1.10Å | |
| C71 | H712 | sing | 1.10Å | 1.10Å | |
| C71 | H713 | sing | 1.10Å | 1.10Å | |
| C72 | H721 | sing | 1.10Å | 1.10Å | |
| C72 | H723 | sing | 1.10Å | 1.10Å | |
| C72 | H722 | sing | 1.10Å | 1.10Å | |
| C73 | H731 | sing | 1.10Å | 1.10Å | |
| C73 | H732 | sing | 1.10Å | 1.10Å | |
| C74 | H742 | sing | 1.10Å | 1.10Å | |
| C74 | H741 | sing | 1.10Å | 1.10Å | |
| C75 | H751 | sing | 1.08Å | 1.08Å | |
| C79 | H1 | sing | 1.10Å | 1.10Å | |
| N80 | H801 | sing | 1.00Å | 1.00Å | |
| O16 | H161 | sing | 0.95Å | 0.95Å | |
| O19 | H191 | sing | 0.95Å | 0.95Å | |
| O41 | H411 | sing | 0.95Å | 0.95Å | |
| C78 | H2 | sing | 1.10Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C74 | N65 | C66 | 103.2° | 103.2° |
| C74 | N65 | C64 | 117.5° | 117.5° |
| N65 | C74 | C73 | 111.3° | 111.3° |
| N65 | C74 | H742 | 109.0° | 109.0° |
| N65 | C74 | H741 | 109.0° | 109.0° |
| C66 | N65 | C64 | 117.9° | 117.9° |
| N65 | C66 | C67 | 111.7° | 111.7° |
| N65 | C66 | H662 | 108.9° | 108.9° |
| N65 | C66 | H661 | 108.9° | 108.9° |
| N65 | C64 | C63 | 121.5° | 121.5° |
| N65 | C64 | C75 | 119.4° | 119.4° |
| C74 | C73 | N68 | 114.0° | 114.0° |
| C74 | C73 | H731 | 108.3° | 108.3° |
| C74 | C73 | H732 | 108.3° | 108.3° |
| C73 | C74 | H742 | 109.0° | 109.0° |
| C73 | C74 | H741 | 109.0° | 109.0° |
| C66 | C67 | N68 | 113.4° | 113.4° |
| C67 | C66 | H662 | 108.9° | 108.9° |
| C67 | C66 | H661 | 108.9° | 108.9° |
| C66 | C67 | H672 | 108.5° | 108.5° |
| C66 | C67 | H671 | 108.5° | 108.5° |
| C63 | C64 | C75 | 119.0° | 119.0° |
| C64 | C63 | C47 | 120.6° | 120.6° |
| C64 | C63 | H631 | 119.7° | 119.7° |
| C64 | C75 | C76 | 119.7° | 119.7° |
| C64 | C75 | H751 | 120.1° | 120.1° |
| C63 | C47 | O48 | 118.5° | 118.5° |
| C63 | C47 | C46 | 119.5° | 119.5° |
| C47 | C63 | H631 | 119.7° | 119.7° |
| C75 | C76 | C46 | 122.1° | 122.1° |
| C75 | C76 | O77 | 117.0° | 117.0° |
| C76 | C75 | H751 | 120.2° | 120.2° |
| C47 | O48 | C49 | 116.7° | 116.7° |
| O48 | C47 | C46 | 122.0° | 122.0° |
| O48 | C49 | C50 | 111.7° | 111.7° |
| O48 | C49 | H491 | 108.9° | 108.9° |
| O48 | C49 | H492 | 108.9° | 108.9° |
| N68 | C69 | C70 | 109.9° | 109.9° |
| C69 | N68 | C73 | 109.5° | 109.5° |
| C69 | N68 | C67 | 109.5° | 109.5° |
| N68 | C69 | H691 | 109.4° | 109.4° |
| N68 | C69 | H692 | 109.4° | 109.4° |
| C69 | C70 | C71 | 109.3° | 109.3° |
| C69 | C70 | C72 | 110.4° | 110.4° |
| C70 | C69 | H691 | 109.4° | 109.3° |
| C70 | C69 | H692 | 109.4° | 109.4° |
| C69 | C70 | H701 | 109.2° | 109.2° |
| C47 | C46 | C76 | 119.1° | 119.1° |
| C47 | C46 | N45 | 121.6° | 121.6° |
| C73 | N68 | C67 | 113.6° | 113.6° |
| N68 | C73 | H731 | 108.3° | 108.3° |
| N68 | C73 | H732 | 108.3° | 108.3° |
| N68 | C67 | H672 | 108.4° | 108.5° |
| N68 | C67 | H671 | 108.5° | 108.5° |
| C71 | C70 | C72 | 109.0° | 109.0° |
| C71 | C70 | H701 | 109.7° | 109.7° |
| C70 | C71 | H711 | 109.5° | 109.5° |
| C70 | C71 | H712 | 109.5° | 109.4° |
| C70 | C71 | H713 | 109.5° | 109.4° |
| C46 | C76 | O77 | 120.9° | 120.9° |
| C76 | C46 | N45 | 119.3° | 119.3° |
| C76 | O77 | C78 | 119.6° | 119.6° |
| C46 | N45 | C44 | 120.2° | 120.2° |
| C61 | C62 | C50 | 120.2° | 120.2° |
| C62 | C61 | C53 | 120.1° | 120.1° |
| C62 | C61 | H611 | 120.0° | 120.0° |
| C61 | C62 | H621 | 119.9° | 119.9° |
| C62 | C50 | C49 | 121.3° | 121.3° |
| C62 | C50 | C51 | 119.7° | 119.7° |
| C50 | C62 | H621 | 119.9° | 119.9° |
| C72 | C70 | H701 | 109.2° | 109.2° |
| C70 | C72 | H721 | 109.5° | 109.5° |
| C70 | C72 | H723 | 109.5° | 109.5° |
| C70 | C72 | H722 | 109.5° | 109.5° |
| C49 | C50 | C51 | 119.0° | 119.0° |
| C50 | C49 | H491 | 108.9° | 108.9° |
| C50 | C49 | H492 | 108.9° | 108.9° |
| O77 | C78 | C44 | 121.2° | 121.2° |
| O77 | C78 | C79 | 117.4° | 117.4° |
| O77 | C78 | H2 | 90.0° | 90.0° |
| N45 | C44 | C78 | 118.6° | 118.6° |
| N45 | C44 | C43 | 123.5° | 123.5° |
| C61 | C53 | C54 | 120.2° | 120.2° |
| C61 | C53 | C52 | 119.8° | 119.8° |
| C53 | C61 | H611 | 120.0° | 120.0° |
| O39 | C06 | C07 | 125.9° | 125.9° |
| O39 | C06 | C05 | 128.4° | 128.4° |
| C50 | C51 | C52 | 120.2° | 120.2° |
| C50 | C51 | H511 | 119.9° | 119.9° |
| C38 | C07 | C06 | 109.0° | 109.0° |
| C38 | C07 | O04 | 108.5° | 108.5° |
| C38 | C07 | O08 | 109.5° | 109.5° |
| C07 | C38 | H382 | 109.5° | 109.5° |
| C07 | C38 | H383 | 109.5° | 109.5° |
| C07 | C38 | H381 | 109.4° | 109.4° |
| C44 | C78 | C79 | 121.4° | 121.4° |
| C78 | C44 | C43 | 117.9° | 117.9° |
| C44 | C78 | H2 | 90.0° | 90.0° |
| C78 | C79 | N80 | 115.6° | 115.6° |
| C78 | C79 | C81 | 120.1° | 120.1° |
| C78 | C79 | H1 | 90.2° | 90.2° |
| C79 | C78 | H2 | 90.0° | 90.0° |
| C44 | C43 | C05 | 122.8° | 122.8° |
| C44 | C43 | C42 | 120.9° | 120.9° |
| C07 | C06 | C05 | 105.7° | 105.7° |
| C06 | C07 | O04 | 109.0° | 109.0° |
| C06 | C07 | O08 | 110.8° | 110.8° |
| C06 | C05 | C43 | 128.0° | 128.0° |
| C06 | C05 | C03 | 109.7° | 109.7° |
| C79 | N80 | C25 | 122.0° | 122.0° |
| N80 | C79 | C81 | 124.3° | 124.3° |
| N80 | C79 | H1 | 90.2° | 90.2° |
| C79 | N80 | H801 | 119.0° | 119.0° |
| N80 | C25 | C24 | 117.3° | 117.3° |
| N80 | C25 | O26 | 121.0° | 121.0° |
| C25 | N80 | H801 | 119.0° | 119.0° |
| C79 | C81 | C42 | 118.7° | 118.7° |
| C79 | C81 | O82 | 120.9° | 120.9° |
| C81 | C79 | H1 | 90.2° | 90.2° |
| C05 | C43 | C42 | 116.3° | 116.3° |
| C43 | C05 | C03 | 122.3° | 122.3° |
| C43 | C42 | C81 | 121.0° | 121.0° |
| C43 | C42 | C40 | 122.0° | 122.0° |
| C27 | C24 | C23 | 121.0° | 121.0° |
| C27 | C24 | C25 | 120.7° | 120.7° |
| C24 | C27 | H273 | 109.5° | 109.5° |
| C24 | C27 | H271 | 109.5° | 109.5° |
| C24 | C27 | H272 | 109.5° | 109.5° |
| O04 | C07 | O08 | 109.9° | 109.9° |
| C07 | O04 | C03 | 104.8° | 104.8° |
| C07 | O08 | C09 | 118.1° | 118.1° |
| C05 | C03 | O04 | 110.2° | 110.2° |
| C05 | C03 | C02 | 122.2° | 122.2° |
| C54 | C53 | C52 | 120.0° | 120.0° |
| C53 | C54 | N55 | 113.9° | 113.9° |
| C53 | C54 | H541 | 108.4° | 108.4° |
| C53 | C54 | H542 | 108.4° | 108.4° |
| C53 | C52 | C51 | 120.1° | 120.1° |
| C53 | C52 | H521 | 119.9° | 120.0° |
| C52 | C51 | H511 | 119.9° | 119.9° |
| C51 | C52 | H521 | 119.9° | 119.9° |
| C23 | C24 | C25 | 118.3° | 118.3° |
| C24 | C23 | C22 | 119.4° | 119.4° |
| C24 | C23 | H231 | 120.3° | 120.3° |
| C24 | C25 | O26 | 121.7° | 121.7° |
| C23 | C22 | C21 | 120.1° | 120.1° |
| C23 | C22 | H221 | 120.0° | 120.0° |
| C22 | C23 | H231 | 120.3° | 120.3° |
| C42 | C81 | O82 | 120.4° | 120.4° |
| C81 | C42 | C40 | 117.0° | 117.0° |
| C42 | C40 | C02 | 120.5° | 120.5° |
| C42 | C40 | O41 | 119.7° | 119.7° |
| C54 | N55 | C56 | 113.6° | 113.6° |
| C54 | N55 | C60 | 108.1° | 108.1° |
| N55 | C54 | H541 | 108.3° | 108.3° |
| N55 | C54 | H542 | 108.4° | 108.4° |
| O04 | C03 | C02 | 127.6° | 127.6° |
| C03 | C02 | C40 | 116.7° | 116.7° |
| C03 | C02 | C01 | 121.8° | 121.8° |
| C22 | C21 | C20 | 120.3° | 120.3° |
| C22 | C21 | H211 | 119.8° | 119.9° |
| C21 | C22 | H221 | 120.0° | 120.0° |
| O08 | C09 | C10 | 120.3° | 120.3° |
| O08 | C09 | H091 | 119.8° | 119.8° |
| C28 | C20 | C21 | 108.6° | 108.6° |
| C28 | C20 | C18 | 109.8° | 109.8° |
| C28 | C20 | H201 | 109.3° | 109.3° |
| C20 | C28 | H283 | 109.5° | 109.5° |
| C20 | C28 | H282 | 109.5° | 109.5° |
| C20 | C28 | H281 | 109.5° | 109.5° |
| C30 | C14 | C13 | 109.5° | 109.5° |
| C30 | C14 | C15 | 110.5° | 110.5° |
| C30 | C14 | H141 | 109.7° | 109.7° |
| C14 | C30 | H303 | 109.5° | 109.5° |
| C14 | C30 | H302 | 109.5° | 109.5° |
| C14 | C30 | H301 | 109.5° | 109.5° |
| N55 | C56 | C57 | 112.0° | 112.0° |
| C56 | N55 | C60 | 111.4° | 111.4° |
| N55 | C56 | H562 | 108.8° | 108.8° |
| N55 | C56 | H561 | 108.8° | 108.8° |
| C56 | C57 | O58 | 112.2° | 112.2° |
| C57 | C56 | H562 | 108.8° | 108.8° |
| C57 | C56 | H561 | 108.8° | 108.8° |
| C56 | C57 | H571 | 108.8° | 108.8° |
| C56 | C57 | H572 | 108.8° | 108.8° |
| N55 | C60 | C59 | 112.4° | 112.4° |
| N55 | C60 | H602 | 108.8° | 108.8° |
| N55 | C60 | H601 | 108.7° | 108.8° |
| C09 | C10 | C11 | 121.2° | 121.2° |
| C10 | C09 | H091 | 119.9° | 119.9° |
| C09 | C10 | H101 | 119.4° | 119.4° |
| C02 | C40 | O41 | 119.8° | 119.8° |
| C40 | C02 | C01 | 121.5° | 121.5° |
| C40 | O41 | H411 | 109.5° | 109.5° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C21 | C20 | C18 | 110.4° | 110.4° |
| C21 | C20 | H201 | 109.3° | 109.3° |
| C20 | C21 | H211 | 119.9° | 119.8° |
| C57 | O58 | C59 | 111.2° | 111.2° |
| O58 | C57 | H571 | 108.8° | 108.8° |
| O58 | C57 | H572 | 108.8° | 108.8° |
| C35 | C12 | C11 | 111.8° | 111.8° |
| C35 | C12 | C13 | 108.6° | 108.6° |
| C35 | C12 | H121 | 110.1° | 110.1° |
| C12 | C35 | H352 | 109.5° | 109.5° |
| C12 | C35 | H353 | 109.5° | 109.5° |
| C12 | C35 | H351 | 109.5° | 109.5° |
| C11 | C12 | C13 | 107.6° | 107.6° |
| C12 | C11 | C10 | 114.5° | 114.5° |
| C12 | C11 | O36 | 108.2° | 108.2° |
| C12 | C11 | H111 | 108.0° | 108.0° |
| C11 | C12 | H121 | 109.3° | 109.3° |
| C12 | C13 | C14 | 113.0° | 113.0° |
| C12 | C13 | O31 | 109.3° | 109.3° |
| C13 | C12 | H121 | 109.4° | 109.4° |
| C12 | C13 | H131 | 108.1° | 108.1° |
| C20 | C18 | C17 | 111.0° | 111.0° |
| C20 | C18 | O19 | 109.3° | 109.3° |
| C20 | C18 | H181 | 108.5° | 108.5° |
| C18 | C20 | H201 | 109.4° | 109.4° |
| C10 | C11 | O36 | 107.9° | 107.9° |
| C11 | C10 | H101 | 119.4° | 119.4° |
| C10 | C11 | H111 | 108.1° | 108.1° |
| C13 | C14 | C15 | 107.7° | 107.7° |
| C14 | C13 | O31 | 108.2° | 108.2° |
| C14 | C13 | H131 | 108.1° | 108.1° |
| C13 | C14 | H141 | 109.5° | 109.5° |
| C14 | C15 | C17 | 113.2° | 113.2° |
| C14 | C15 | O16 | 109.0° | 109.0° |
| C15 | C14 | H141 | 109.8° | 109.8° |
| C14 | C15 | H151 | 108.4° | 108.4° |
| C17 | C18 | O19 | 109.0° | 109.0° |
| C18 | C17 | C15 | 110.6° | 110.6° |
| C18 | C17 | C29 | 110.1° | 110.1° |
| C18 | C17 | H171 | 109.6° | 109.6° |
| C17 | C18 | H181 | 108.7° | 108.7° |
| O19 | C18 | H181 | 110.3° | 110.3° |
| C18 | O19 | H191 | 109.5° | 109.5° |
| C60 | C59 | O58 | 111.9° | 111.9° |
| C60 | C59 | H591 | 108.9° | 108.9° |
| C60 | C59 | H592 | 108.9° | 108.9° |
| C59 | C60 | H602 | 108.7° | 108.7° |
| C59 | C60 | H601 | 108.7° | 108.7° |
| O58 | C59 | H591 | 108.9° | 108.9° |
| O58 | C59 | H592 | 108.9° | 108.9° |
| C11 | O36 | C37 | 114.6° | 114.6° |
| O36 | C11 | H111 | 110.1° | 110.1° |
| C13 | O31 | C32 | 115.6° | 115.6° |
| O31 | C13 | H131 | 110.1° | 110.1° |
| O31 | C32 | C33 | 120.0° | 120.0° |
| O31 | C32 | O34 | 120.7° | 120.7° |
| C15 | C17 | C29 | 107.5° | 107.5° |
| C17 | C15 | O16 | 107.8° | 107.8° |
| C17 | C15 | H151 | 108.3° | 108.3° |
| C15 | C17 | H171 | 109.5° | 109.5° |
| C29 | C17 | H171 | 109.5° | 109.5° |
| C17 | C29 | H292 | 109.5° | 109.5° |
| C17 | C29 | H293 | 109.5° | 109.5° |
| C17 | C29 | H291 | 109.5° | 109.5° |
| O16 | C15 | H151 | 110.1° | 110.1° |
| C15 | O16 | H161 | 109.5° | 109.5° |
| C33 | C32 | O34 | 119.3° | 119.3° |
| C32 | C33 | H331 | 109.5° | 109.5° |
| C32 | C33 | H333 | 109.5° | 109.5° |
| C32 | C33 | H332 | 109.5° | 109.5° |
| O36 | C37 | H371 | 109.5° | 109.5° |
| O36 | C37 | H373 | 109.5° | 109.5° |
| O36 | C37 | H372 | 109.5° | 109.5° |
| H011 | C01 | H013 | 109.5° | 109.5° |
| H011 | C01 | H012 | 109.5° | 109.5° |
| H013 | C01 | H012 | 109.5° | 109.5° |
| H273 | C27 | H271 | 109.4° | 109.4° |
| H273 | C27 | H272 | 109.5° | 109.5° |
| H271 | C27 | H272 | 109.5° | 109.5° |
| H283 | C28 | H282 | 109.4° | 109.4° |
| H283 | C28 | H281 | 109.5° | 109.5° |
| H282 | C28 | H281 | 109.5° | 109.5° |
| H292 | C29 | H293 | 109.5° | 109.5° |
| H292 | C29 | H291 | 109.5° | 109.5° |
| H293 | C29 | H291 | 109.5° | 109.5° |
| H303 | C30 | H302 | 109.4° | 109.4° |
| H303 | C30 | H301 | 109.5° | 109.5° |
| H302 | C30 | H301 | 109.4° | 109.4° |
| H331 | C33 | H333 | 109.5° | 109.5° |
| H331 | C33 | H332 | 109.4° | 109.4° |
| H333 | C33 | H332 | 109.5° | 109.5° |
| H352 | C35 | H353 | 109.5° | 109.5° |
| H352 | C35 | H351 | 109.5° | 109.5° |
| H353 | C35 | H351 | 109.4° | 109.5° |
| H371 | C37 | H373 | 109.4° | 109.4° |
| H371 | C37 | H372 | 109.5° | 109.5° |
| H373 | C37 | H372 | 109.5° | 109.4° |
| H382 | C38 | H383 | 109.5° | 109.5° |
| H382 | C38 | H381 | 109.5° | 109.5° |
| H383 | C38 | H381 | 109.5° | 109.5° |
| H491 | C49 | H492 | 109.5° | 109.5° |
| H541 | C54 | H542 | 109.4° | 109.5° |
| H562 | C56 | H561 | 109.5° | 109.5° |
| H571 | C57 | H572 | 109.5° | 109.5° |
| H591 | C59 | H592 | 109.4° | 109.4° |
| H602 | C60 | H601 | 109.5° | 109.4° |
| H662 | C66 | H661 | 109.4° | 109.4° |
| H672 | C67 | H671 | 109.5° | 109.5° |
| H691 | C69 | H692 | 109.4° | 109.5° |
| H711 | C71 | H712 | 109.5° | 109.5° |
| H711 | C71 | H713 | 109.5° | 109.5° |
| H712 | C71 | H713 | 109.4° | 109.5° |
| H721 | C72 | H723 | 109.5° | 109.5° |
| H721 | C72 | H722 | 109.4° | 109.4° |
| H723 | C72 | H722 | 109.5° | 109.5° |
| H731 | C73 | H732 | 109.5° | 109.5° |
| H742 | C74 | H741 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C74 | N65 | C66 | C64 | 131.4° | 131.4° |
| N65 | C74 | C73 | H742 | 120.3° | 120.3° |
| N65 | C74 | C73 | H741 | 120.3° | 120.3° |
| C74 | N65 | C66 | C67 | 62.2° | 62.2° |
| C74 | N65 | C64 | C63 | 41.3° | 41.3° |
| C74 | N65 | C64 | C75 | 137.8° | 137.8° |
| N65 | C74 | C73 | N68 | 55.9° | 55.9° |
| C74 | N65 | C66 | H662 | 58.2° | 58.2° |
| C74 | N65 | C66 | H661 | 177.5° | 177.5° |
| N65 | C74 | C73 | H731 | 64.8° | 64.8° |
| N65 | C74 | C73 | H732 | 176.6° | 176.6° |
| N65 | C74 | H742 | H741 | 119.2° | 119.2° |
| C66 | N65 | C74 | C73 | 61.6° | 61.6° |
| N65 | C66 | C67 | H662 | 120.4° | 120.4° |
| N65 | C66 | C67 | H661 | 120.3° | 120.3° |
| C66 | N65 | C64 | C63 | 165.8° | 165.8° |
| C66 | N65 | C64 | C75 | 13.2° | 13.2° |
| N65 | C66 | C67 | N68 | 56.4° | 56.4° |
| N65 | C66 | H662 | H661 | 119.0° | 119.0° |
| N65 | C66 | C67 | H672 | 177.0° | 177.0° |
| N65 | C66 | C67 | H671 | 64.2° | 64.2° |
| C66 | N65 | C74 | H742 | 178.1° | 178.1° |
| C66 | N65 | C74 | H741 | 58.7° | 58.7° |
| C64 | N65 | C74 | C73 | 70.0° | 70.0° |
| C64 | N65 | C66 | C67 | 69.2° | 69.2° |
| N65 | C64 | C63 | C75 | 179.1° | 179.1° |
| N65 | C64 | C63 | C47 | 179.2° | 179.2° |
| N65 | C64 | C75 | C76 | 179.4° | 179.4° |
| N65 | C64 | C63 | H631 | 0.8° | 0.8° |
| C64 | N65 | C66 | H662 | 170.4° | 170.4° |
| C64 | N65 | C66 | H661 | 51.1° | 51.1° |
| C64 | N65 | C74 | H742 | 50.2° | 50.2° |
| C64 | N65 | C74 | H741 | 169.7° | 169.7° |
| N65 | C64 | C75 | H751 | 0.6° | 0.6° |
| C74 | C73 | N68 | C69 | 77.3° | 77.3° |
| C74 | C73 | N68 | H731 | 120.7° | 120.7° |
| C74 | C73 | N68 | H732 | 120.7° | 120.7° |
| C74 | C73 | N68 | C67 | 45.5° | 45.5° |
| C74 | C73 | H731 | H732 | 117.9° | 117.9° |
| C73 | C74 | H742 | H741 | 119.2° | 119.2° |
| C66 | C67 | N68 | C69 | 77.3° | 77.3° |
| C66 | C67 | N68 | C73 | 45.4° | 45.4° |
| C66 | C67 | N68 | H672 | 120.6° | 120.6° |
| C66 | C67 | N68 | H671 | 120.6° | 120.6° |
| C67 | C66 | H662 | H661 | 119.0° | 119.0° |
| C66 | C67 | H672 | H671 | 118.2° | 118.2° |
| C64 | C63 | C47 | H631 | 180.0° | 180.0° |
| C63 | C64 | C75 | C76 | 0.3° | 0.3° |
| C64 | C63 | C47 | O48 | 179.6° | 179.6° |
| C64 | C63 | C47 | C46 | 0.9° | 0.9° |
| C63 | C64 | C75 | H751 | 179.7° | 179.7° |
| C75 | C64 | C63 | C47 | 0.1° | 0.1° |
| C64 | C75 | C76 | H751 | 180.0° | 180.0° |
| C64 | C75 | C76 | C46 | 0.7° | 0.7° |
| C64 | C75 | C76 | O77 | 179.8° | 179.8° |
| C75 | C64 | C63 | H631 | 179.9° | 179.8° |
| C63 | C47 | O48 | C46 | 178.7° | 178.7° |
| C63 | C47 | O48 | C49 | 117.9° | 117.9° |
| C63 | C47 | C46 | C76 | 1.8° | 1.8° |
| C63 | C47 | C46 | N45 | 178.8° | 178.8° |
| C75 | C76 | C46 | C47 | 1.7° | 1.7° |
| C75 | C76 | C46 | O77 | 179.1° | 179.1° |
| C75 | C76 | C46 | N45 | 178.8° | 178.8° |
| C75 | C76 | O77 | C78 | 177.3° | 177.3° |
| O48 | C47 | C46 | C76 | 179.6° | 179.6° |
| O48 | C47 | C46 | N45 | 2.5° | 2.5° |
| C47 | O48 | C49 | C50 | 71.6° | 71.6° |
| C47 | O48 | C49 | H491 | 48.8° | 48.8° |
| C47 | O48 | C49 | H492 | 168.1° | 168.1° |
| O48 | C47 | C63 | H631 | 0.4° | 0.4° |
| C49 | O48 | C47 | C46 | 63.4° | 63.4° |
| O48 | C49 | C50 | C62 | 12.8° | 12.8° |
| O48 | C49 | C50 | H491 | 120.3° | 120.3° |
| O48 | C49 | C50 | H492 | 120.3° | 120.3° |
| O48 | C49 | C50 | C51 | 167.2° | 167.2° |
| O48 | C49 | H491 | H492 | 119.0° | 119.0° |
| N68 | C69 | C70 | H691 | 120.1° | 120.1° |
| N68 | C69 | C70 | H692 | 120.1° | 120.0° |
| C69 | N68 | C73 | C67 | 122.8° | 122.8° |
| N68 | C69 | C70 | C71 | 171.5° | 171.5° |
| N68 | C69 | C70 | C72 | 51.6° | 51.6° |
| C69 | N68 | C67 | H672 | 43.3° | 43.3° |
| C69 | N68 | C67 | H671 | 162.1° | 162.1° |
| N68 | C69 | H691 | H692 | 119.8° | 119.8° |
| N68 | C69 | C70 | H701 | 68.5° | 68.5° |
| C69 | N68 | C73 | H731 | 162.0° | 162.0° |
| C69 | N68 | C73 | H732 | 43.4° | 43.4° |
| C70 | C69 | N68 | C73 | 113.2° | 113.2° |
| C70 | C69 | N68 | C67 | 121.6° | 121.6° |
| C69 | C70 | C71 | C72 | 120.7° | 120.7° |
| C69 | C70 | C71 | H701 | 119.7° | 119.7° |
| C69 | C70 | C72 | H701 | 120.1° | 120.1° |
| C70 | C69 | H691 | H692 | 119.8° | 119.8° |
| C69 | C70 | C71 | H711 | 180.0° | 180.0° |
| C69 | C70 | C71 | H712 | 60.0° | 60.0° |
| C69 | C70 | C71 | H713 | 60.0° | 60.0° |
| C69 | C70 | C72 | H721 | 180.0° | 180.0° |
| C69 | C70 | C72 | H723 | 60.0° | 60.0° |
| C69 | C70 | C72 | H722 | 60.0° | 60.0° |
| C47 | C46 | C76 | N45 | 177.1° | 177.1° |
| C47 | C46 | C76 | O77 | 179.2° | 179.2° |
| C47 | C46 | N45 | C44 | 176.3° | 176.3° |
| C46 | C47 | C63 | H631 | 179.1° | 179.1° |
| C73 | N68 | C67 | H672 | 166.0° | 166.0° |
| C73 | N68 | C67 | H671 | 75.2° | 75.2° |
| C73 | N68 | C69 | H691 | 6.9° | 6.8° |
| C73 | N68 | C69 | H692 | 126.7° | 126.8° |
| N68 | C73 | H731 | H732 | 117.9° | 117.9° |
| N68 | C73 | C74 | H742 | 176.2° | 176.2° |
| N68 | C73 | C74 | H741 | 64.4° | 64.4° |
| N68 | C67 | C66 | H662 | 63.9° | 63.9° |
| N68 | C67 | C66 | H661 | 176.8° | 176.8° |
| N68 | C67 | H672 | H671 | 118.2° | 118.2° |
| C67 | N68 | C69 | H691 | 118.3° | 118.3° |
| C67 | N68 | C69 | H692 | 1.5° | 1.6° |
| C67 | N68 | C73 | H731 | 75.2° | 75.2° |
| C67 | N68 | C73 | H732 | 166.1° | 166.1° |
| C71 | C70 | C72 | H701 | 119.9° | 119.9° |
| C71 | C70 | C69 | H691 | 68.5° | 68.5° |
| C71 | C70 | C69 | H692 | 51.4° | 51.4° |
| C70 | C71 | H711 | H712 | 120.0° | 120.0° |
| C70 | C71 | H711 | H713 | 120.0° | 120.0° |
| C70 | C71 | H712 | H713 | 120.0° | 120.0° |
| C71 | C70 | C72 | H721 | 60.0° | 60.0° |
| C71 | C70 | C72 | H723 | 60.1° | 60.1° |
| C71 | C70 | C72 | H722 | 179.9° | 179.9° |
| C46 | C76 | O77 | C78 | 3.5° | 3.5° |
| C76 | C46 | N45 | C44 | 0.7° | 0.7° |
| C46 | C76 | C75 | H751 | 179.4° | 179.4° |
| O77 | C76 | C46 | N45 | 2.1° | 2.1° |
| C76 | O77 | C78 | C44 | 2.2° | 2.2° |
| C76 | O77 | C78 | C79 | 177.8° | 177.8° |
| O77 | C76 | C75 | H751 | 0.2° | 0.2° |
| C76 | O77 | C78 | H2 | 92.2° | 92.2° |
| C46 | N45 | C44 | C78 | 2.0° | 2.0° |
| C46 | N45 | C44 | C43 | 178.7° | 178.7° |
| C61 | C62 | C50 | H621 | 180.0° | 180.0° |
| C61 | C62 | C50 | C49 | 179.8° | 179.8° |
| C62 | C61 | C53 | H611 | 180.0° | 180.0° |
| C61 | C62 | C50 | C51 | 0.2° | 0.2° |
| C62 | C61 | C53 | C54 | 179.9° | 179.9° |
| C62 | C61 | C53 | C52 | 0.3° | 0.3° |
| C62 | C50 | C49 | C51 | 180.0° | 180.0° |
| C50 | C62 | C61 | C53 | 0.0° | 0.0° |
| C62 | C50 | C51 | C52 | 0.1° | 0.1° |
| C62 | C50 | C49 | H491 | 133.1° | 133.1° |
| C62 | C50 | C49 | H492 | 107.5° | 107.5° |
| C62 | C50 | C51 | H511 | 179.9° | 179.9° |
| C50 | C62 | C61 | H611 | 180.0° | 180.0° |
| C72 | C70 | C69 | H691 | 171.7° | 171.7° |
| C72 | C70 | C69 | H692 | 68.5° | 68.4° |
| C72 | C70 | C71 | H711 | 59.3° | 59.3° |
| C72 | C70 | C71 | H712 | 179.3° | 179.2° |
| C72 | C70 | C71 | H713 | 60.8° | 60.8° |
| C70 | C72 | H721 | H723 | 120.0° | 120.0° |
| C70 | C72 | H721 | H722 | 120.0° | 120.0° |
| C70 | C72 | H723 | H722 | 120.0° | 120.0° |
| C49 | C50 | C51 | C52 | 179.9° | 179.9° |
| C50 | C49 | H491 | H492 | 119.0° | 119.0° |
| C49 | C50 | C51 | H511 | 0.1° | 0.1° |
| C49 | C50 | C62 | H621 | 0.2° | 0.2° |
| O77 | C78 | C44 | N45 | 0.6° | 0.6° |
| O77 | C78 | C44 | C79 | 179.9° | 179.9° |
| O77 | C78 | C44 | H2 | 90.0° | 90.0° |
| O77 | C78 | C79 | H2 | 90.0° | 90.0° |
| O77 | C78 | C44 | C43 | 179.9° | 179.9° |
| O77 | C78 | C79 | N80 | 0.7° | 0.7° |
| O77 | C78 | C79 | C81 | 180.0° | 180.0° |
| O77 | C78 | C79 | H1 | 89.7° | 89.7° |
| N45 | C44 | C78 | C43 | 179.4° | 179.4° |
| N45 | C44 | C78 | C79 | 179.5° | 179.5° |
| N45 | C44 | C43 | C05 | 0.8° | 0.8° |
| N45 | C44 | C43 | C42 | 179.5° | 179.5° |
| N45 | C44 | C78 | H2 | 89.5° | 89.5° |
| C61 | C53 | C54 | C52 | 179.6° | 179.6° |
| C61 | C53 | C52 | C51 | 0.4° | 0.4° |
| C61 | C53 | C54 | N55 | 93.1° | 93.1° |
| C61 | C53 | C52 | H521 | 179.6° | 179.6° |
| C61 | C53 | C54 | H541 | 146.3° | 146.3° |
| C61 | C53 | C54 | H542 | 27.6° | 27.6° |
| C53 | C61 | C62 | H621 | 180.0° | 180.0° |
| O39 | C06 | C07 | C38 | 52.8° | 52.8° |
| O39 | C06 | C07 | C05 | 178.9° | 178.9° |
| O39 | C06 | C05 | C43 | 5.7° | 5.7° |
| O39 | C06 | C07 | O04 | 171.1° | 171.1° |
| O39 | C06 | C07 | O08 | 67.8° | 67.8° |
| O39 | C06 | C05 | C03 | 174.0° | 174.0° |
| C50 | C51 | C52 | C53 | 0.2° | 0.2° |
| C50 | C51 | C52 | H511 | 180.0° | 180.0° |
| C51 | C50 | C49 | H491 | 46.9° | 46.9° |
| C51 | C50 | C49 | H492 | 72.5° | 72.5° |
| C50 | C51 | C52 | H521 | 179.8° | 179.8° |
| C51 | C50 | C62 | H621 | 179.8° | 179.8° |
| C38 | C07 | C06 | O04 | 118.3° | 118.3° |
| C38 | C07 | C06 | O08 | 120.6° | 120.6° |
| C38 | C07 | C06 | C05 | 126.1° | 126.1° |
| C38 | C07 | O04 | O08 | 119.7° | 119.7° |
| C38 | C07 | O04 | C03 | 126.1° | 126.1° |
| C38 | C07 | O08 | C09 | 133.9° | 133.9° |
| C07 | C38 | H382 | H383 | 120.0° | 120.0° |
| C07 | C38 | H382 | H381 | 120.0° | 120.0° |
| C07 | C38 | H383 | H381 | 120.0° | 120.0° |
| C44 | C78 | C79 | H2 | 90.0° | 90.1° |
| C44 | C78 | C79 | N80 | 179.4° | 179.4° |
| C44 | C78 | C79 | C81 | 0.1° | 0.1° |
| C78 | C44 | C43 | C05 | 179.9° | 179.9° |
| C78 | C44 | C43 | C42 | 0.1° | 0.1° |
| C44 | C78 | C79 | H1 | 90.3° | 90.3° |
| C79 | C78 | C44 | C43 | 0.1° | 0.1° |
| C78 | C79 | N80 | C81 | 179.2° | 179.2° |
| C78 | C79 | N80 | H1 | 90.3° | 90.3° |
| C78 | C79 | N80 | C25 | 108.5° | 108.5° |
| C78 | C79 | C81 | H1 | 90.4° | 90.4° |
| C78 | C79 | C81 | C42 | 0.0° | 0.0° |
| C78 | C79 | C81 | O82 | 179.9° | 179.9° |
| C78 | C79 | N80 | H801 | 71.6° | 71.6° |
| C44 | C43 | C05 | C06 | 0.3° | 0.3° |
| C44 | C43 | C05 | C42 | 179.8° | 179.8° |
| C44 | C43 | C05 | C03 | 179.9° | 179.9° |
| C44 | C43 | C42 | C81 | 0.1° | 0.1° |
| C44 | C43 | C42 | C40 | 179.9° | 179.9° |
| C43 | C44 | C78 | H2 | 89.9° | 89.9° |
| C07 | C06 | C05 | C43 | 175.4° | 175.4° |
| C06 | C07 | O04 | O08 | 121.7° | 121.7° |
| C07 | C06 | C05 | C03 | 4.8° | 4.8° |
| C06 | C07 | O04 | C03 | 7.5° | 7.5° |
| C06 | C07 | O08 | C09 | 13.6° | 13.6° |
| C06 | C07 | C38 | H382 | 180.0° | 180.0° |
| C06 | C07 | C38 | H383 | 60.0° | 60.0° |
| C06 | C07 | C38 | H381 | 60.0° | 60.0° |
| C06 | C05 | C43 | C03 | 179.7° | 179.7° |
| C06 | C05 | C43 | C42 | 179.9° | 179.9° |
| C05 | C06 | C07 | O04 | 7.8° | 7.8° |
| C05 | C06 | C07 | O08 | 113.3° | 113.3° |
| C06 | C05 | C03 | O04 | 0.2° | 0.2° |
| C06 | C05 | C03 | C02 | 179.9° | 179.9° |
| C79 | N80 | C25 | H801 | 180.0° | 180.0° |
| N80 | C79 | C81 | H1 | 90.4° | 90.4° |
| C79 | N80 | C25 | C24 | 178.6° | 178.6° |
| N80 | C79 | C81 | C42 | 179.2° | 179.2° |
| N80 | C79 | C81 | O82 | 0.7° | 0.7° |
| C79 | N80 | C25 | O26 | 1.0° | 1.0° |
| N80 | C79 | C78 | H2 | 89.3° | 89.3° |
| C25 | N80 | C79 | C81 | 72.3° | 72.3° |
| N80 | C25 | C24 | C27 | 62.8° | 62.8° |
| N80 | C25 | C24 | C23 | 115.9° | 115.9° |
| N80 | C25 | C24 | O26 | 179.5° | 179.5° |
| C25 | N80 | C79 | H1 | 18.1° | 18.1° |
| C79 | C81 | C42 | C43 | 0.0° | 0.0° |
| C79 | C81 | C42 | O82 | 179.9° | 179.9° |
| C79 | C81 | C42 | C40 | 179.9° | 179.9° |
| C81 | C79 | N80 | H801 | 107.7° | 107.7° |
| C81 | C79 | C78 | H2 | 89.9° | 90.0° |
| C05 | C43 | C42 | C81 | 179.8° | 179.8° |
| C05 | C43 | C42 | C40 | 0.1° | 0.1° |
| C43 | C05 | C03 | O04 | 180.0° | 180.0° |
| C43 | C05 | C03 | C02 | 0.1° | 0.1° |
| C42 | C43 | C05 | C03 | 0.1° | 0.1° |
| C43 | C42 | C81 | C40 | 179.9° | 179.9° |
| C43 | C42 | C81 | O82 | 179.9° | 179.9° |
| C43 | C42 | C40 | C02 | 0.0° | 0.0° |
| C43 | C42 | C40 | O41 | 179.9° | 179.9° |
| C27 | C24 | C23 | C25 | 178.7° | 178.7° |
| C27 | C24 | C23 | C22 | 179.3° | 179.3° |
| C27 | C24 | C25 | O26 | 117.7° | 117.7° |
| C27 | C24 | C23 | H231 | 0.7° | 0.7° |
| C24 | C27 | H273 | H271 | 120.0° | 120.0° |
| C24 | C27 | H273 | H272 | 120.0° | 120.0° |
| C24 | C27 | H271 | H272 | 120.0° | 120.0° |
| C07 | O04 | C03 | C05 | 4.6° | 4.6° |
| C07 | O04 | C03 | C02 | 175.3° | 175.3° |
| O04 | C07 | O08 | C09 | 107.0° | 107.0° |
| O04 | C07 | C38 | H382 | 61.4° | 61.4° |
| O04 | C07 | C38 | H383 | 58.6° | 58.6° |
| O04 | C07 | C38 | H381 | 178.6° | 178.6° |
| O08 | C07 | O04 | C03 | 114.1° | 114.1° |
| C07 | O08 | C09 | C10 | 82.5° | 82.5° |
| C07 | O08 | C09 | H091 | 97.5° | 97.5° |
| O08 | C07 | C38 | H382 | 58.6° | 58.6° |
| O08 | C07 | C38 | H383 | 178.6° | 178.6° |
| O08 | C07 | C38 | H381 | 61.4° | 61.4° |
| C05 | C03 | O04 | C02 | 179.9° | 179.9° |
| C05 | C03 | C02 | C40 | 0.0° | 0.0° |
| C05 | C03 | C02 | C01 | 179.9° | 179.9° |
| C54 | C53 | C52 | C51 | 180.0° | 180.0° |
| C53 | C54 | N55 | H541 | 120.6° | 120.6° |
| C53 | C54 | N55 | H542 | 120.7° | 120.6° |
| C53 | C54 | N55 | C56 | 0.9° | 0.9° |
| C53 | C54 | N55 | C60 | 125.1° | 125.1° |
| C54 | C53 | C52 | H521 | 0.0° | 0.0° |
| C53 | C54 | H541 | H542 | 118.0° | 118.0° |
| C54 | C53 | C61 | H611 | 0.1° | 0.1° |
| C53 | C52 | C51 | H521 | 180.0° | 180.0° |
| C52 | C53 | C54 | N55 | 87.3° | 87.3° |
| C53 | C52 | C51 | H511 | 179.8° | 179.8° |
| C52 | C53 | C54 | H541 | 33.3° | 33.3° |
| C52 | C53 | C54 | H542 | 152.0° | 152.0° |
| C52 | C53 | C61 | H611 | 179.7° | 179.7° |
| C24 | C23 | C22 | H231 | 180.0° | 180.0° |
| C23 | C24 | C25 | O26 | 63.6° | 63.6° |
| C24 | C23 | C22 | C21 | 117.7° | 117.7° |
| C24 | C23 | C22 | H221 | 62.3° | 62.3° |
| C23 | C24 | C27 | H273 | 180.0° | 180.0° |
| C23 | C24 | C27 | H271 | 60.0° | 60.0° |
| C23 | C24 | C27 | H272 | 60.0° | 60.0° |
| C25 | C24 | C23 | C22 | 0.6° | 0.6° |
| C25 | C24 | C23 | H231 | 179.4° | 179.4° |
| C25 | C24 | C27 | H273 | 1.4° | 1.4° |
| C25 | C24 | C27 | H271 | 121.3° | 121.3° |
| C25 | C24 | C27 | H272 | 118.6° | 118.6° |
| C24 | C25 | N80 | H801 | 1.5° | 1.5° |
| C23 | C22 | C21 | H221 | 180.0° | 180.0° |
| C23 | C22 | C21 | C20 | 179.7° | 179.7° |
| C23 | C22 | C21 | H211 | 0.3° | 0.3° |
| C81 | C42 | C40 | C02 | 179.9° | 179.9° |
| C81 | C42 | C40 | O41 | 0.2° | 0.2° |
| C42 | C81 | C79 | H1 | 90.3° | 90.3° |
| O82 | C81 | C42 | C40 | 0.2° | 0.2° |
| O82 | C81 | C79 | H1 | 89.8° | 89.8° |
| C42 | C40 | C02 | C03 | 0.1° | 0.1° |
| C42 | C40 | C02 | O41 | 179.9° | 179.9° |
| C42 | C40 | C02 | C01 | 180.0° | 180.0° |
| C42 | C40 | O41 | H411 | 0.1° | 0.1° |
| O26 | C25 | N80 | H801 | 179.0° | 179.0° |
| C54 | N55 | C56 | C60 | 122.3° | 122.3° |
| C54 | N55 | C56 | C57 | 177.7° | 177.7° |
| C54 | N55 | C60 | C59 | 174.3° | 174.3° |
| N55 | C54 | H541 | H542 | 118.0° | 118.0° |
| C54 | N55 | C56 | H562 | 61.9° | 61.9° |
| C54 | N55 | C56 | H561 | 57.3° | 57.3° |
| C54 | N55 | C60 | H602 | 53.9° | 53.9° |
| C54 | N55 | C60 | H601 | 65.2° | 65.3° |
| O04 | C03 | C02 | C40 | 179.9° | 179.9° |
| O04 | C03 | C02 | C01 | 0.0° | 0.0° |
| C03 | C02 | C40 | C01 | 179.9° | 179.9° |
| C03 | C02 | C40 | O41 | 179.9° | 179.9° |
| C03 | C02 | C01 | H011 | 90.0° | 90.0° |
| C03 | C02 | C01 | H013 | 150.0° | 150.0° |
| C03 | C02 | C01 | H012 | 30.0° | 30.0° |
| C22 | C21 | C20 | C28 | 54.2° | 54.2° |
| C22 | C21 | C20 | H211 | 180.0° | 180.0° |
| C22 | C21 | C20 | C18 | 66.2° | 66.2° |
| C22 | C21 | C20 | H201 | 173.4° | 173.4° |
| C21 | C22 | C23 | H231 | 62.3° | 62.3° |
| O08 | C09 | C10 | H091 | 180.0° | 180.0° |
| O08 | C09 | C10 | C11 | 178.8° | 178.8° |
| O08 | C09 | C10 | H101 | 1.2° | 1.2° |
| C28 | C20 | C21 | C18 | 120.4° | 120.4° |
| C28 | C20 | C21 | H201 | 119.2° | 119.2° |
| C28 | C20 | C18 | H201 | 120.0° | 119.9° |
| C28 | C20 | C18 | C17 | 59.4° | 59.4° |
| C28 | C20 | C18 | O19 | 179.7° | 179.7° |
| C28 | C20 | C18 | H181 | 60.0° | 60.0° |
| C28 | C20 | C21 | H211 | 125.8° | 125.7° |
| C20 | C28 | H283 | H282 | 120.0° | 120.0° |
| C20 | C28 | H283 | H281 | 120.0° | 120.0° |
| C20 | C28 | H282 | H281 | 120.0° | 120.0° |
| C30 | C14 | C13 | C12 | 77.3° | 77.3° |
| C30 | C14 | C13 | C15 | 120.3° | 120.3° |
| C30 | C14 | C13 | H141 | 120.4° | 120.4° |
| C30 | C14 | C15 | H141 | 121.2° | 121.2° |
| C30 | C14 | C13 | O31 | 43.9° | 43.9° |
| C30 | C14 | C15 | C17 | 52.8° | 52.8° |
| C30 | C14 | C15 | O16 | 172.8° | 172.8° |
| C30 | C14 | C13 | H131 | 163.2° | 163.2° |
| C30 | C14 | C15 | H151 | 67.4° | 67.4° |
| C14 | C30 | H303 | H302 | 120.0° | 120.0° |
| C14 | C30 | H303 | H301 | 120.0° | 120.0° |
| C14 | C30 | H302 | H301 | 120.0° | 120.0° |
| N55 | C56 | C57 | H562 | 120.4° | 120.4° |
| N55 | C56 | C57 | H561 | 120.4° | 120.4° |
| N55 | C56 | C57 | O58 | 5.2° | 5.2° |
| C56 | N55 | C60 | C59 | 48.9° | 48.9° |
| C56 | N55 | C54 | H541 | 119.7° | 119.7° |
| C56 | N55 | C54 | H542 | 121.6° | 121.6° |
| N55 | C56 | H562 | H561 | 118.8° | 118.8° |
| N55 | C56 | C57 | H571 | 115.2° | 115.2° |
| N55 | C56 | C57 | H572 | 125.6° | 125.6° |
| C56 | N55 | C60 | H602 | 71.6° | 71.6° |
| C56 | N55 | C60 | H601 | 169.3° | 169.3° |
| C57 | C56 | N55 | C60 | 55.4° | 55.4° |
| C56 | C57 | O58 | H571 | 120.4° | 120.4° |
| C56 | C57 | O58 | H572 | 120.4° | 120.4° |
| C56 | C57 | O58 | C59 | 51.0° | 51.0° |
| C57 | C56 | H562 | H561 | 118.9° | 118.9° |
| C56 | C57 | H571 | H572 | 118.8° | 118.8° |
| N55 | C60 | C59 | H602 | 120.5° | 120.5° |
| N55 | C60 | C59 | H601 | 120.4° | 120.5° |
| N55 | C60 | C59 | O58 | 7.0° | 7.0° |
| C60 | N55 | C54 | H541 | 4.4° | 4.4° |
| C60 | N55 | C54 | H542 | 114.2° | 114.3° |
| C60 | N55 | C56 | H562 | 175.7° | 175.7° |
| C60 | N55 | C56 | H561 | 65.0° | 65.0° |
| N55 | C60 | C59 | H591 | 113.3° | 113.3° |
| N55 | C60 | C59 | H592 | 127.4° | 127.4° |
| N55 | C60 | H602 | H601 | 118.6° | 118.7° |
| C09 | C10 | C11 | C12 | 94.9° | 94.9° |
| C09 | C10 | C11 | H101 | 180.0° | 180.0° |
| C09 | C10 | C11 | O36 | 144.5° | 144.5° |
| C09 | C10 | C11 | H111 | 25.5° | 25.5° |
| C40 | C02 | C01 | H011 | 89.9° | 89.9° |
| C40 | C02 | C01 | H013 | 30.0° | 30.0° |
| C40 | C02 | C01 | H012 | 150.0° | 150.0° |
| C02 | C40 | O41 | H411 | 180.0° | 180.0° |
| O41 | C40 | C02 | C01 | 0.2° | 0.2° |
| C02 | C01 | H011 | H013 | 120.0° | 120.0° |
| C02 | C01 | H011 | H012 | 120.0° | 120.0° |
| C02 | C01 | H013 | H012 | 120.0° | 120.0° |
| C21 | C20 | C18 | H201 | 120.3° | 120.3° |
| C21 | C20 | C18 | C17 | 179.1° | 179.1° |
| C21 | C20 | C18 | O19 | 60.6° | 60.6° |
| C21 | C20 | C18 | H181 | 59.8° | 59.8° |
| C20 | C21 | C22 | H221 | 0.3° | 0.3° |
| C21 | C20 | C28 | H283 | 180.0° | 180.0° |
| C21 | C20 | C28 | H282 | 60.0° | 60.0° |
| C21 | C20 | C28 | H281 | 60.0° | 60.0° |
| C57 | O58 | C59 | C60 | 57.6° | 57.6° |
| O58 | C57 | C56 | H562 | 125.6° | 125.6° |
| O58 | C57 | C56 | H561 | 115.1° | 115.1° |
| O58 | C57 | H571 | H572 | 118.7° | 118.7° |
| C57 | O58 | C59 | H591 | 62.8° | 62.8° |
| C57 | O58 | C59 | H592 | 177.9° | 177.9° |
| C35 | C12 | C11 | C13 | 119.2° | 119.2° |
| C35 | C12 | C11 | H121 | 122.2° | 122.2° |
| C35 | C12 | C13 | H121 | 120.2° | 120.2° |
| C35 | C12 | C11 | C10 | 53.4° | 53.4° |
| C35 | C12 | C13 | C14 | 63.9° | 63.9° |
| C35 | C12 | C11 | O36 | 66.9° | 66.9° |
| C35 | C12 | C13 | O31 | 175.5° | 175.5° |
| C35 | C12 | C11 | H111 | 173.9° | 173.9° |
| C35 | C12 | C13 | H131 | 55.6° | 55.6° |
| C12 | C35 | H352 | H353 | 120.0° | 120.0° |
| C12 | C35 | H352 | H351 | 120.0° | 120.0° |
| C12 | C35 | H353 | H351 | 120.0° | 120.0° |
| C11 | C12 | C13 | H121 | 118.6° | 118.6° |
| C12 | C11 | C10 | O36 | 120.6° | 120.6° |
| C12 | C11 | C10 | H111 | 120.4° | 120.4° |
| C11 | C12 | C13 | C14 | 174.9° | 174.9° |
| C12 | C11 | O36 | H111 | 117.8° | 117.8° |
| C11 | C12 | C13 | O31 | 54.3° | 54.3° |
| C12 | C11 | O36 | C37 | 176.4° | 176.4° |
| C12 | C11 | C10 | H101 | 85.1° | 85.1° |
| C11 | C12 | C13 | H131 | 65.6° | 65.6° |
| C11 | C12 | C35 | H352 | 180.0° | 180.0° |
| C11 | C12 | C35 | H353 | 60.0° | 60.0° |
| C11 | C12 | C35 | H351 | 60.0° | 60.0° |
| C13 | C12 | C11 | C10 | 172.6° | 172.6° |
| C12 | C13 | C14 | O31 | 121.2° | 121.2° |
| C12 | C13 | C14 | H131 | 119.5° | 119.5° |
| C12 | C13 | C14 | C15 | 162.4° | 162.4° |
| C13 | C12 | C11 | O36 | 52.3° | 52.3° |
| C12 | C13 | O31 | H131 | 118.6° | 118.6° |
| C12 | C13 | O31 | C32 | 119.7° | 119.7° |
| C13 | C12 | C11 | H111 | 66.9° | 66.9° |
| C12 | C13 | C14 | H141 | 43.1° | 43.1° |
| C13 | C12 | C35 | H352 | 61.5° | 61.5° |
| C13 | C12 | C35 | H353 | 178.5° | 178.6° |
| C13 | C12 | C35 | H351 | 58.5° | 58.5° |
| C20 | C18 | C17 | O19 | 120.4° | 120.4° |
| C20 | C18 | C17 | H181 | 119.3° | 119.3° |
| C20 | C18 | O19 | H181 | 119.3° | 119.3° |
| C20 | C18 | C17 | C15 | 173.2° | 173.2° |
| C20 | C18 | C17 | C29 | 54.5° | 54.5° |
| C20 | C18 | C17 | H171 | 66.0° | 66.0° |
| C18 | C20 | C21 | H211 | 113.8° | 113.8° |
| C18 | C20 | C28 | H283 | 59.2° | 59.2° |
| C18 | C20 | C28 | H282 | 60.8° | 60.8° |
| C18 | C20 | C28 | H281 | 179.2° | 179.2° |
| C20 | C18 | O19 | H191 | 180.0° | 180.0° |
| C10 | C11 | O36 | H111 | 117.8° | 117.8° |
| C10 | C11 | O36 | C37 | 59.2° | 59.2° |
| C11 | C10 | C09 | H091 | 1.2° | 1.2° |
| C10 | C11 | C12 | H121 | 68.7° | 68.7° |
| C13 | C14 | C15 | H141 | 119.2° | 119.2° |
| C14 | C13 | O31 | H131 | 118.0° | 118.0° |
| C14 | C13 | O31 | C32 | 116.9° | 116.9° |
| C13 | C14 | C15 | C17 | 172.4° | 172.4° |
| C13 | C14 | C15 | O16 | 67.6° | 67.6° |
| C14 | C13 | C12 | H121 | 56.2° | 56.2° |
| C13 | C14 | C15 | H151 | 52.2° | 52.2° |
| C13 | C14 | C30 | H303 | 180.0° | 180.0° |
| C13 | C14 | C30 | H302 | 60.0° | 60.0° |
| C13 | C14 | C30 | H301 | 60.0° | 60.0° |
| C14 | C15 | C17 | C18 | 62.5° | 62.5° |
| C15 | C14 | C13 | O31 | 76.4° | 76.4° |
| C14 | C15 | C17 | O16 | 120.7° | 120.7° |
| C14 | C15 | C17 | H151 | 120.3° | 120.3° |
| C14 | C15 | C17 | C29 | 177.3° | 177.3° |
| C14 | C15 | O16 | H151 | 118.8° | 118.8° |
| C15 | C14 | C13 | H131 | 42.9° | 42.9° |
| C14 | C15 | C17 | H171 | 58.4° | 58.4° |
| C15 | C14 | C30 | H303 | 61.4° | 61.4° |
| C15 | C14 | C30 | H302 | 58.6° | 58.6° |
| C15 | C14 | C30 | H301 | 178.6° | 178.6° |
| C14 | C15 | O16 | H161 | 180.0° | 180.0° |
| C17 | C18 | O19 | H181 | 119.3° | 119.3° |
| C18 | C17 | C15 | C29 | 120.2° | 120.2° |
| C18 | C17 | C15 | H171 | 120.9° | 120.9° |
| C18 | C17 | C29 | H171 | 120.6° | 120.6° |
| C18 | C17 | C15 | O16 | 58.2° | 58.2° |
| C18 | C17 | C15 | H151 | 177.2° | 177.2° |
| C17 | C18 | C20 | H201 | 60.6° | 60.5° |
| C18 | C17 | C29 | H292 | 180.0° | 180.0° |
| C18 | C17 | C29 | H293 | 60.0° | 60.0° |
| C18 | C17 | C29 | H291 | 60.0° | 60.0° |
| C17 | C18 | O19 | H191 | 58.6° | 58.5° |
| O19 | C18 | C17 | C15 | 52.8° | 52.8° |
| O19 | C18 | C17 | C29 | 65.9° | 65.9° |
| O19 | C18 | C17 | H171 | 173.6° | 173.6° |
| O19 | C18 | C20 | H201 | 59.7° | 59.7° |
| C60 | C59 | O58 | H591 | 120.4° | 120.4° |
| C60 | C59 | O58 | H592 | 120.4° | 120.4° |
| C60 | C59 | H591 | H592 | 118.9° | 118.9° |
| C59 | C60 | H602 | H601 | 118.7° | 118.6° |
| C59 | O58 | C57 | H571 | 171.4° | 171.4° |
| C59 | O58 | C57 | H572 | 69.4° | 69.4° |
| O58 | C59 | H591 | H592 | 118.9° | 118.9° |
| O58 | C59 | C60 | H602 | 127.5° | 127.5° |
| O58 | C59 | C60 | H601 | 113.4° | 113.4° |
| O36 | C11 | C10 | H101 | 35.4° | 35.4° |
| O36 | C11 | C12 | H121 | 170.9° | 170.9° |
| C11 | O36 | C37 | H371 | 180.0° | 180.0° |
| C11 | O36 | C37 | H373 | 60.0° | 60.0° |
| C11 | O36 | C37 | H372 | 60.0° | 60.0° |
| C13 | O31 | C32 | C33 | 141.7° | 141.7° |
| C13 | O31 | C32 | O34 | 38.8° | 38.8° |
| O31 | C13 | C12 | H121 | 64.3° | 64.3° |
| O31 | C13 | C14 | H141 | 164.2° | 164.2° |
| O31 | C32 | C33 | O34 | 179.5° | 179.5° |
| C32 | O31 | C13 | H131 | 1.1° | 1.1° |
| O31 | C32 | C33 | H331 | 179.5° | 179.5° |
| O31 | C32 | C33 | H333 | 59.5° | 59.5° |
| O31 | C32 | C33 | H332 | 60.5° | 60.5° |
| C15 | C17 | C29 | H171 | 118.9° | 118.9° |
| C17 | C15 | O16 | H151 | 117.9° | 117.9° |
| C17 | C15 | C14 | H141 | 68.4° | 68.4° |
| C15 | C17 | C18 | H181 | 67.5° | 67.5° |
| C15 | C17 | C29 | H292 | 59.5° | 59.5° |
| C15 | C17 | C29 | H293 | 179.4° | 179.4° |
| C15 | C17 | C29 | H291 | 60.6° | 60.6° |
| C17 | C15 | O16 | H161 | 56.7° | 56.7° |
| C29 | C17 | C15 | O16 | 62.0° | 62.0° |
| C29 | C17 | C15 | H151 | 57.0° | 57.0° |
| C29 | C17 | C18 | H181 | 173.8° | 173.8° |
| C17 | C29 | H292 | H293 | 120.0° | 120.0° |
| C17 | C29 | H292 | H291 | 120.0° | 120.0° |
| C17 | C29 | H293 | H291 | 120.0° | 120.0° |
| O16 | C15 | C14 | H141 | 51.6° | 51.6° |
| O16 | C15 | C17 | H171 | 179.1° | 179.1° |
| C32 | C33 | H331 | H333 | 120.0° | 120.0° |
| C32 | C33 | H331 | H332 | 120.0° | 120.0° |
| C32 | C33 | H333 | H332 | 120.0° | 120.0° |
| O34 | C32 | C33 | H331 | 0.0° | 0.0° |
| O34 | C32 | C33 | H333 | 120.0° | 120.0° |
| O34 | C32 | C33 | H332 | 120.0° | 120.0° |
| C37 | O36 | C11 | H111 | 58.6° | 58.6° |
| O36 | C37 | H371 | H373 | 120.0° | 120.0° |
| O36 | C37 | H371 | H372 | 120.0° | 120.0° |
| O36 | C37 | H373 | H372 | 120.0° | 120.0° |
| H011 | C01 | H013 | H012 | 120.0° | 120.0° |
| H091 | C09 | C10 | H101 | 178.8° | 178.8° |
| H101 | C10 | C11 | H111 | 154.5° | 154.5° |
| H111 | C11 | C12 | H121 | 51.8° | 51.8° |
| H121 | C12 | C13 | H131 | 175.8° | 175.8° |
| H121 | C12 | C35 | H352 | 58.3° | 58.3° |
| H121 | C12 | C35 | H353 | 61.8° | 61.7° |
| H121 | C12 | C35 | H351 | 178.3° | 178.3° |
| H131 | C13 | C14 | H141 | 76.5° | 76.5° |
| H141 | C14 | C15 | H151 | 171.4° | 171.4° |
| H141 | C14 | C30 | H303 | 59.8° | 59.8° |
| H141 | C14 | C30 | H302 | 179.8° | 179.8° |
| H141 | C14 | C30 | H301 | 60.2° | 60.2° |
| H151 | C15 | C17 | H171 | 61.9° | 61.9° |
| H151 | C15 | O16 | H161 | 61.2° | 61.2° |
| H171 | C17 | C18 | H181 | 53.3° | 53.3° |
| H171 | C17 | C29 | H292 | 59.4° | 59.4° |
| H171 | C17 | C29 | H293 | 60.6° | 60.6° |
| H171 | C17 | C29 | H291 | 179.4° | 179.4° |
| H181 | C18 | C20 | H201 | 179.9° | 179.9° |
| H181 | C18 | O19 | H191 | 60.7° | 60.7° |
| H201 | C20 | C21 | H211 | 6.5° | 6.5° |
| H201 | C20 | C28 | H283 | 60.8° | 60.8° |
| H201 | C20 | C28 | H282 | 179.2° | 179.2° |
| H201 | C20 | C28 | H281 | 59.2° | 59.2° |
| H211 | C21 | C22 | H221 | 179.7° | 179.8° |
| H221 | C22 | C23 | H231 | 117.6° | 117.6° |
| H273 | C27 | H271 | H272 | 120.0° | 120.0° |
| H283 | C28 | H282 | H281 | 120.0° | 120.0° |
| H292 | C29 | H293 | H291 | 120.0° | 120.0° |
| H303 | C30 | H302 | H301 | 119.9° | 119.9° |
| H331 | C33 | H333 | H332 | 120.0° | 120.0° |
| H352 | C35 | H353 | H351 | 120.0° | 120.0° |
| H371 | C37 | H373 | H372 | 120.0° | 120.0° |
| H382 | C38 | H383 | H381 | 120.0° | 120.0° |
| H511 | C51 | C52 | H521 | 0.2° | 0.2° |
| H562 | C56 | C57 | H571 | 5.2° | 5.2° |
| H562 | C56 | C57 | H572 | 114.0° | 114.0° |
| H561 | C56 | C57 | H571 | 124.5° | 124.5° |
| H561 | C56 | C57 | H572 | 5.3° | 5.3° |
| H591 | C59 | C60 | H602 | 7.1° | 7.1° |
| H591 | C59 | C60 | H601 | 126.2° | 126.2° |
| H592 | C59 | C60 | H602 | 112.1° | 112.1° |
| H592 | C59 | C60 | H601 | 7.0° | 6.9° |
| H611 | C61 | C62 | H621 | 0.0° | 0.0° |
| H662 | C66 | C67 | H672 | 56.6° | 56.7° |
| H662 | C66 | C67 | H671 | 175.5° | 175.5° |
| H661 | C66 | C67 | H672 | 62.7° | 62.6° |
| H661 | C66 | C67 | H671 | 56.2° | 56.2° |
| H691 | C69 | C70 | H701 | 51.6° | 51.6° |
| H692 | C69 | C70 | H701 | 171.5° | 171.5° |
| H701 | C70 | C71 | H711 | 60.3° | 60.3° |
| H701 | C70 | C71 | H712 | 59.7° | 59.7° |
| H701 | C70 | C71 | H713 | 179.7° | 179.7° |
| H701 | C70 | C72 | H721 | 59.9° | 59.9° |
| H701 | C70 | C72 | H723 | 179.9° | 179.9° |
| H701 | C70 | C72 | H722 | 60.0° | 60.0° |
| H711 | C71 | H712 | H713 | 120.0° | 120.0° |
| H721 | C72 | H723 | H722 | 120.0° | 120.0° |
| H731 | C73 | C74 | H742 | 55.5° | 55.5° |
| H731 | C73 | C74 | H741 | 175.0° | 175.0° |
| H732 | C73 | C74 | H742 | 63.2° | 63.2° |
| H732 | C73 | C74 | H741 | 56.3° | 56.3° |
| H1 | C79 | N80 | H801 | 161.9° | 161.9° |
| H1 | C79 | C78 | H2 | 179.7° | 179.7° |
