SF0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C30 | C34 | sing | 1.52Å | 1.54Å | |
| C30 | N18 | sing | 1.46Å | 1.47Å | |
| C30 | O08 | sing | 1.43Å | 1.41Å | |
| C31 | C32 | sing | 1.54Å | 1.52Å | |
| C32 | C35 | sing | 1.64Å | 1.60Å | |
| C32 | C68 | sing | 1.56Å | 1.56Å | |
| C32 | N17 | sing | 1.49Å | 1.49Å | |
| C33 | N18 | sing | 1.36Å | 1.37Å | Aromatic |
| C33 | N21 | doub | 1.31Å | 1.33Å | Aromatic |
| C34 | C37 | sing | 1.54Å | 1.54Å | |
| C34 | O07 | sing | 1.42Å | 1.41Å | |
| C35 | C36 | sing | 1.55Å | 1.54Å | |
| C35 | C38 | sing | 1.58Å | 1.57Å | |
| C35 | C69 | sing | 1.58Å | 1.56Å | |
| C37 | C41 | sing | 1.53Å | 1.53Å | |
| C37 | O03 | sing | 1.42Å | 1.43Å | |
| C38 | C40 | sing | 1.53Å | 1.52Å | |
| C38 | C71 | sing | 1.56Å | 1.55Å | |
| C39 | C42 | doub | 1.38Å | 1.39Å | Aromatic |
| C39 | C52 | sing | 1.39Å | 1.38Å | Aromatic |
| C40 | C43 | sing | 1.43Å | 1.46Å | |
| C40 | N17 | doub | 1.31Å | 1.31Å | |
| C41 | C44 | sing | 1.51Å | 1.51Å | |
| C41 | O08 | sing | 1.44Å | 1.44Å | |
| C42 | C45 | sing | 1.43Å | 1.42Å | Aromatic |
| C42 | C55 | sing | 1.52Å | 1.52Å | |
| C43 | C46 | doub | 1.45Å | 1.38Å | |
| C43 | C74 | sing | 1.53Å | 1.52Å | |
| C44 | O09 | sing | 1.42Å | 1.42Å | |
| C45 | C47 | doub | 1.39Å | 1.38Å | Aromatic |
| C45 | C57 | sing | 1.51Å | 1.51Å | |
| C46 | C48 | sing | 1.56Å | 1.55Å | |
| C46 | N19 | sing | 1.40Å | 1.40Å | |
| C47 | C50 | sing | 1.39Å | 1.39Å | Aromatic |
| C48 | C49 | sing | 1.55Å | 1.54Å | |
| C48 | C51 | sing | 1.58Å | 1.56Å | |
| C48 | C75 | sing | 1.58Å | 1.54Å | |
| C50 | C52 | doub | 1.40Å | 1.40Å | Aromatic |
| C50 | N18 | sing | 1.38Å | 1.37Å | Aromatic |
| C51 | C53 | sing | 1.52Å | 1.51Å | |
| C51 | C77 | sing | 1.56Å | 1.54Å | |
| C52 | N21 | sing | 1.39Å | 1.40Å | Aromatic |
| C53 | C54 | sing | 1.39Å | 1.40Å | |
| C53 | N19 | doub | 1.35Å | 1.35Å | |
| C54 | C56 | doub | 1.39Å | 1.39Å | |
| C56 | C58 | sing | 1.53Å | 1.52Å | |
| C56 | N20 | sing | 1.36Å | 1.34Å | |
| C58 | C59 | sing | 1.55Å | 1.54Å | |
| C58 | C60 | sing | 1.55Å | 1.52Å | |
| C58 | C61 | sing | 1.56Å | 1.57Å | |
| C61 | C62 | sing | 1.54Å | 1.54Å | |
| C61 | C80 | sing | 1.56Å | 1.54Å | |
| C62 | C63 | doub | 1.45Å | 1.38Å | |
| C62 | N20 | sing | 1.38Å | 1.39Å | |
| C63 | C64 | sing | 1.47Å | 1.47Å | |
| C63 | C83 | sing | 1.53Å | 1.53Å | |
| C64 | C65 | sing | 1.56Å | 1.54Å | |
| C64 | N22 | doub | 1.31Å | 1.30Å | |
| C65 | C66 | sing | 1.56Å | 1.55Å | |
| C65 | C67 | sing | 1.59Å | 1.58Å | |
| C65 | C84 | sing | 1.56Å | 1.54Å | |
| C67 | C68 | sing | 1.56Å | 1.53Å | |
| C67 | C90 | sing | 1.56Å | 1.53Å | |
| C68 | N22 | sing | 1.49Å | 1.50Å | |
| C69 | C70 | sing | 1.53Å | 1.51Å | |
| C70 | N23 | sing | 1.33Å | 1.32Å | |
| C70 | O10 | doub | 1.24Å | 1.25Å | |
| C71 | C72 | sing | 1.54Å | 1.54Å | |
| C72 | C73 | sing | 1.52Å | 1.49Å | |
| C73 | N24 | sing | 1.33Å | 1.32Å | |
| C73 | O11 | doub | 1.24Å | 1.23Å | |
| C75 | C76 | sing | 1.52Å | 1.52Å | |
| C76 | N25 | sing | 1.33Å | 1.34Å | |
| C76 | O12 | doub | 1.24Å | 1.21Å | |
| C77 | C78 | sing | 1.54Å | 1.53Å | |
| C78 | C79 | sing | 1.52Å | 1.49Å | |
| C79 | N26 | sing | 1.33Å | 1.32Å | |
| C79 | O13 | doub | 1.24Å | 1.24Å | |
| C80 | C81 | sing | 1.54Å | 1.54Å | |
| C81 | C82 | sing | 1.52Å | 1.50Å | |
| C82 | N27 | sing | 1.33Å | 1.32Å | |
| C82 | O14 | doub | 1.24Å | 1.22Å | |
| C84 | C85 | sing | 1.54Å | 1.51Å | |
| C85 | C86 | sing | 1.51Å | 1.51Å | |
| C86 | N28 | sing | 1.35Å | 1.32Å | |
| C86 | O15 | doub | 1.24Å | 1.23Å | |
| C87 | C88 | sing | 1.53Å | 1.52Å | |
| C87 | N28 | sing | 1.46Å | 1.46Å | |
| C88 | C89 | sing | 1.51Å | 1.51Å | |
| C88 | O04 | sing | 1.46Å | 1.47Å | |
| C90 | C91 | sing | 1.52Å | 1.59Å | |
| C91 | N29 | sing | 1.33Å | 1.23Å | |
| C91 | O16 | doub | 1.24Å | 1.27Å | |
| N17 | RH01 | sing | 1.99Å | 1.96Å | |
| N19 | RH01 | sing | 2.01Å | 2.00Å | |
| N20 | RH01 | sing | 2.00Å | 1.99Å | |
| N22 | RH01 | sing | 2.00Å | 1.96Å | |
| O03 | P02 | sing | 1.58Å | 1.61Å | |
| O04 | P02 | sing | 1.59Å | 1.60Å | |
| O05 | P02 | doub | 1.48Å | 1.47Å | |
| O06 | P02 | sing | 1.52Å | 1.49Å | |
| C30 | H301 | sing | 0.99Å | 1.10Å | |
| C31 | H312 | sing | 0.97Å | 1.10Å | |
| C31 | H311 | sing | 0.97Å | 1.10Å | |
| C31 | H313 | sing | 0.98Å | 1.10Å | |
| C33 | H331 | sing | 0.94Å | 1.08Å | |
| C34 | H341 | sing | 0.99Å | 1.10Å | |
| C36 | H361 | sing | 0.97Å | 1.10Å | |
| C36 | H362 | sing | 0.97Å | 1.10Å | |
| C36 | H363 | sing | 0.97Å | 1.10Å | |
| C37 | H371 | sing | 0.99Å | 1.10Å | |
| C38 | H381 | sing | 0.98Å | 1.10Å | |
| C39 | H391 | sing | 0.94Å | 1.08Å | |
| C41 | H411 | sing | 0.99Å | 1.10Å | |
| C44 | H442 | sing | 0.98Å | 1.10Å | |
| C44 | H441 | sing | 0.98Å | 1.10Å | |
| C47 | H471 | sing | 0.95Å | 1.08Å | |
| C49 | H491 | sing | 0.97Å | 1.10Å | |
| C49 | H493 | sing | 0.98Å | 1.10Å | |
| C49 | H492 | sing | 0.98Å | 1.10Å | |
| C51 | H511 | sing | 0.99Å | 1.10Å | |
| C54 | H541 | sing | 0.94Å | 1.08Å | |
| C55 | H551 | sing | 0.97Å | 1.10Å | |
| C55 | H552 | sing | 0.97Å | 1.10Å | |
| C55 | H553 | sing | 0.97Å | 1.10Å | |
| C57 | H572 | sing | 0.97Å | 1.10Å | |
| C57 | H573 | sing | 0.97Å | 1.10Å | |
| C57 | H571 | sing | 0.97Å | 1.10Å | |
| C59 | H592 | sing | 0.98Å | 1.10Å | |
| C59 | H591 | sing | 0.98Å | 1.10Å | |
| C59 | H593 | sing | 0.98Å | 1.10Å | |
| C60 | H603 | sing | 0.98Å | 1.10Å | |
| C60 | H601 | sing | 0.98Å | 1.10Å | |
| C60 | H602 | sing | 0.98Å | 1.10Å | |
| C61 | H611 | sing | 0.99Å | 1.10Å | |
| C66 | H661 | sing | 0.98Å | 1.10Å | |
| C66 | H663 | sing | 0.98Å | 1.10Å | |
| C66 | H662 | sing | 0.96Å | 1.10Å | |
| C67 | H671 | sing | 0.99Å | 1.10Å | |
| C68 | H681 | sing | 0.99Å | 1.10Å | |
| C69 | H691 | sing | 0.99Å | 1.10Å | |
| C69 | H692 | sing | 0.99Å | 1.10Å | |
| C71 | H711 | sing | 0.98Å | 1.10Å | |
| C71 | H712 | sing | 0.99Å | 1.10Å | |
| C72 | H721 | sing | 0.97Å | 1.10Å | |
| C72 | H722 | sing | 0.97Å | 1.10Å | |
| C74 | H742 | sing | 0.97Å | 1.10Å | |
| C74 | H741 | sing | 0.97Å | 1.10Å | |
| C74 | H743 | sing | 0.97Å | 1.10Å | |
| C75 | H751 | sing | 0.97Å | 1.10Å | |
| C75 | H752 | sing | 0.97Å | 1.10Å | |
| C77 | H771 | sing | 0.98Å | 1.10Å | |
| C77 | H772 | sing | 0.98Å | 1.10Å | |
| C78 | H782 | sing | 0.97Å | 1.10Å | |
| C78 | H781 | sing | 0.97Å | 1.10Å | |
| C80 | H801 | sing | 0.98Å | 1.10Å | |
| C80 | H802 | sing | 0.98Å | 1.10Å | |
| C81 | H811 | sing | 0.97Å | 1.10Å | |
| C81 | H812 | sing | 0.97Å | 1.10Å | |
| C83 | H832 | sing | 0.97Å | 1.10Å | |
| C83 | H831 | sing | 0.97Å | 1.10Å | |
| C83 | H833 | sing | 0.97Å | 1.10Å | |
| C84 | H842 | sing | 0.98Å | 1.10Å | |
| C84 | H841 | sing | 0.98Å | 1.10Å | |
| C85 | H851 | sing | 0.97Å | 1.10Å | |
| C85 | H852 | sing | 0.97Å | 1.10Å | |
| C87 | H872 | sing | 0.99Å | 1.10Å | |
| C87 | H871 | sing | 0.99Å | 1.10Å | |
| C88 | H881 | sing | 0.99Å | 1.10Å | |
| C89 | H893 | sing | 0.97Å | 1.10Å | |
| C89 | H892 | sing | 0.97Å | 1.10Å | |
| C89 | H891 | sing | 0.97Å | 1.10Å | |
| C90 | H901 | sing | 0.98Å | 1.10Å | |
| C90 | H902 | sing | 0.97Å | 1.10Å | |
| N23 | H232 | sing | 0.89Å | 1.00Å | |
| N23 | H231 | sing | 0.89Å | 1.00Å | |
| N24 | H242 | sing | 0.89Å | 1.00Å | |
| N24 | H241 | sing | 0.89Å | 1.00Å | |
| N25 | H252 | sing | 0.89Å | 1.00Å | |
| N25 | H251 | sing | 0.89Å | 1.00Å | |
| N26 | H262 | sing | 0.89Å | 1.00Å | |
| N26 | H261 | sing | 0.89Å | 1.00Å | |
| N27 | H271 | sing | 0.89Å | 1.00Å | |
| N27 | H272 | sing | 0.89Å | 1.00Å | |
| N28 | H281 | sing | 0.88Å | 1.00Å | |
| N29 | H291 | sing | 0.89Å | 1.00Å | |
| N29 | H292 | sing | 0.89Å | 1.00Å | |
| O06 | H1 | sing | 0.89Å | 0.95Å | |
| O07 | H071 | sing | 0.84Å | 0.95Å | |
| O09 | H091 | sing | 0.85Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C34 | C30 | N18 | 109.3° | 114.5° |
| C34 | C30 | O08 | 107.2° | 106.8° |
| C30 | C34 | C37 | 101.8° | 102.0° |
| C30 | C34 | O07 | 106.9° | 112.1° |
| C34 | C30 | H301 | 108.3° | 108.9° |
| C30 | C34 | H341 | 110.8° | 109.7° |
| N18 | C30 | O08 | 112.7° | 109.4° |
| C30 | N18 | C33 | 128.3° | 127.6° |
| C30 | N18 | C50 | 124.8° | 126.0° |
| N18 | C30 | H301 | 109.1° | 108.7° |
| C30 | O08 | C41 | 112.0° | 111.0° |
| O08 | C30 | H301 | 110.0° | 108.4° |
| C31 | C32 | C35 | 114.8° | 118.6° |
| C31 | C32 | C68 | 109.2° | 109.1° |
| C31 | C32 | N17 | 106.9° | 101.4° |
| C32 | C31 | H312 | 109.5° | 110.7° |
| C32 | C31 | H311 | 109.4° | 110.3° |
| C32 | C31 | H313 | 109.5° | 110.0° |
| C35 | C32 | C68 | 117.8° | 122.5° |
| C35 | C32 | N17 | 101.7° | 97.4° |
| C32 | C35 | C36 | 113.9° | 111.5° |
| C32 | C35 | C38 | 101.7° | 102.3° |
| C32 | C35 | C69 | 110.1° | 114.2° |
| C68 | C32 | N17 | 105.1° | 102.9° |
| C32 | C68 | C67 | 121.4° | 123.0° |
| C32 | C68 | N22 | 109.2° | 110.4° |
| C32 | C68 | H681 | 108.0° | 106.8° |
| C32 | N17 | C40 | 113.7° | 120.1° |
| C32 | N17 | RH01 | 117.3° | 109.3° |
| N18 | C33 | N21 | 112.6° | 113.4° |
| C33 | N18 | C50 | 106.8° | 106.3° |
| N18 | C33 | H331 | 123.7° | 122.7° |
| C33 | N21 | C52 | 105.4° | 105.4° |
| N21 | C33 | H331 | 123.7° | 124.0° |
| C37 | C34 | O07 | 113.2° | 113.4° |
| C34 | C37 | C41 | 103.8° | 103.1° |
| C34 | C37 | O03 | 111.7° | 112.5° |
| C37 | C34 | H341 | 110.7° | 108.9° |
| C34 | C37 | H371 | 110.6° | 110.0° |
| O07 | C34 | H341 | 112.8° | 110.4° |
| C34 | O07 | H071 | 109.5° | 110.5° |
| C36 | C35 | C38 | 113.7° | 114.7° |
| C36 | C35 | C69 | 108.2° | 107.7° |
| C35 | C36 | H361 | 109.5° | 109.7° |
| C35 | C36 | H362 | 109.5° | 110.6° |
| C35 | C36 | H363 | 109.4° | 110.1° |
| C38 | C35 | C69 | 109.0° | 106.5° |
| C35 | C38 | C40 | 103.7° | 103.1° |
| C35 | C38 | C71 | 118.7° | 123.3° |
| C35 | C38 | H381 | 106.4° | 107.1° |
| C35 | C69 | C70 | 116.4° | 120.0° |
| C35 | C69 | H691 | 107.7° | 108.1° |
| C35 | C69 | H692 | 107.7° | 108.0° |
| C41 | C37 | O03 | 107.3° | 108.9° |
| C37 | C41 | C44 | 117.9° | 116.3° |
| C37 | C41 | O08 | 102.4° | 105.1° |
| C41 | C37 | H371 | 110.8° | 111.8° |
| C37 | C41 | H411 | 108.0° | 109.0° |
| C37 | O03 | P02 | 127.4° | 124.2° |
| O03 | C37 | H371 | 112.3° | 110.4° |
| C40 | C38 | C71 | 113.9° | 109.9° |
| C38 | C40 | C43 | 125.3° | 129.1° |
| C38 | C40 | N17 | 110.8° | 106.8° |
| C40 | C38 | H381 | 106.8° | 105.8° |
| C38 | C71 | C72 | 110.3° | 117.0° |
| C71 | C38 | H381 | 106.6° | 106.5° |
| C38 | C71 | H711 | 109.3° | 109.1° |
| C38 | C71 | H712 | 109.3° | 108.2° |
| C42 | C39 | C52 | 118.9° | 119.8° |
| C39 | C42 | C45 | 120.6° | 119.9° |
| C39 | C42 | C55 | 119.2° | 118.4° |
| C42 | C39 | H391 | 120.6° | 120.1° |
| C39 | C52 | C50 | 120.2° | 120.3° |
| C39 | C52 | N21 | 131.3° | 130.9° |
| C52 | C39 | H391 | 120.5° | 120.1° |
| C43 | C40 | N17 | 123.6° | 123.9° |
| C40 | C43 | C46 | 123.9° | 122.9° |
| C40 | C43 | C74 | 114.8° | 116.7° |
| C40 | N17 | RH01 | 128.8° | 130.5° |
| C44 | C41 | O08 | 110.8° | 108.9° |
| C41 | C44 | O09 | 111.2° | 111.0° |
| C44 | C41 | H411 | 108.2° | 108.5° |
| C41 | C44 | H442 | 109.0° | 109.6° |
| C41 | C44 | H441 | 109.0° | 109.6° |
| O08 | C41 | H411 | 109.1° | 108.8° |
| C45 | C42 | C55 | 120.3° | 121.7° |
| C42 | C45 | C47 | 120.9° | 120.0° |
| C42 | C45 | C57 | 121.5° | 121.6° |
| C42 | C55 | H551 | 109.5° | 110.0° |
| C42 | C55 | H552 | 109.5° | 110.2° |
| C42 | C55 | H553 | 109.5° | 109.8° |
| C46 | C43 | C74 | 121.2° | 120.4° |
| C43 | C46 | C48 | 126.2° | 131.1° |
| C43 | C46 | N19 | 124.3° | 119.9° |
| C43 | C74 | H742 | 109.5° | 109.9° |
| C43 | C74 | H741 | 109.5° | 109.4° |
| C43 | C74 | H743 | 109.5° | 110.5° |
| O09 | C44 | H442 | 109.0° | 109.2° |
| O09 | C44 | H441 | 109.0° | 109.2° |
| C44 | O09 | H091 | 109.5° | 109.0° |
| C47 | C45 | C57 | 117.6° | 118.4° |
| C45 | C47 | C50 | 117.5° | 119.3° |
| C45 | C47 | H471 | 121.2° | 119.9° |
| C45 | C57 | H572 | 109.5° | 110.2° |
| C45 | C57 | H573 | 109.4° | 110.0° |
| C45 | C57 | H571 | 109.5° | 109.8° |
| C48 | C46 | N19 | 106.0° | 108.9° |
| C46 | C48 | C49 | 108.4° | 112.4° |
| C46 | C48 | C51 | 101.0° | 103.1° |
| C46 | C48 | C75 | 113.9° | 112.3° |
| C46 | N19 | C53 | 112.2° | 110.7° |
| C46 | N19 | RH01 | 125.5° | 129.8° |
| C47 | C50 | C52 | 122.0° | 120.7° |
| C47 | C50 | N18 | 131.3° | 133.2° |
| C50 | C47 | H471 | 121.3° | 120.8° |
| C49 | C48 | C51 | 112.7° | 113.3° |
| C49 | C48 | C75 | 111.3° | 109.2° |
| C48 | C49 | H491 | 109.5° | 110.2° |
| C48 | C49 | H493 | 109.5° | 109.7° |
| C48 | C49 | H492 | 109.5° | 110.1° |
| C51 | C48 | C75 | 109.2° | 106.3° |
| C48 | C51 | C53 | 100.9° | 100.8° |
| C48 | C51 | C77 | 118.7° | 121.8° |
| C48 | C51 | H511 | 107.6° | 110.1° |
| C48 | C75 | C76 | 114.7° | 118.7° |
| C48 | C75 | H751 | 108.1° | 108.1° |
| C48 | C75 | H752 | 108.2° | 108.6° |
| C52 | C50 | N18 | 106.7° | 106.1° |
| C50 | C52 | N21 | 108.5° | 108.7° |
| C53 | C51 | C77 | 112.8° | 110.5° |
| C51 | C53 | C54 | 124.4° | 121.1° |
| C51 | C53 | N19 | 109.9° | 112.9° |
| C53 | C51 | H511 | 108.3° | 104.4° |
| C51 | C77 | C78 | 116.5° | 115.0° |
| C77 | C51 | H511 | 107.9° | 107.8° |
| C51 | C77 | H771 | 107.7° | 110.0° |
| C51 | C77 | H772 | 107.7° | 108.9° |
| C54 | C53 | N19 | 125.7° | 126.0° |
| C53 | C54 | C56 | 128.7° | 131.5° |
| C53 | C54 | H541 | 115.6° | 113.5° |
| C53 | N19 | RH01 | 121.6° | 119.0° |
| C54 | C56 | C58 | 123.4° | 124.3° |
| C54 | C56 | N20 | 124.4° | 122.9° |
| C56 | C54 | H541 | 115.7° | 114.9° |
| C58 | C56 | N20 | 112.2° | 112.6° |
| C56 | C58 | C59 | 109.3° | 113.4° |
| C56 | C58 | C60 | 110.4° | 109.2° |
| C56 | C58 | C61 | 102.5° | 97.9° |
| C56 | N20 | C62 | 112.3° | 109.8° |
| C56 | N20 | RH01 | 122.6° | 121.5° |
| C59 | C58 | C60 | 108.2° | 108.4° |
| C59 | C58 | C61 | 108.5° | 116.0° |
| C58 | C59 | H592 | 109.5° | 110.1° |
| C58 | C59 | H591 | 109.4° | 109.6° |
| C58 | C59 | H593 | 109.5° | 109.8° |
| C60 | C58 | C61 | 117.6° | 111.6° |
| C58 | C60 | H603 | 109.5° | 109.9° |
| C58 | C60 | H601 | 109.4° | 109.8° |
| C58 | C60 | H602 | 109.4° | 109.8° |
| C58 | C61 | C62 | 103.9° | 103.3° |
| C58 | C61 | C80 | 117.0° | 123.1° |
| C58 | C61 | H611 | 108.1° | 107.1° |
| C62 | C61 | C80 | 110.5° | 109.3° |
| C61 | C62 | C63 | 124.7° | 129.5° |
| C61 | C62 | N20 | 108.9° | 107.4° |
| C62 | C61 | H611 | 108.5° | 107.0° |
| C61 | C80 | C81 | 116.7° | 121.7° |
| C80 | C61 | H611 | 108.4° | 106.2° |
| C61 | C80 | H801 | 107.7° | 106.8° |
| C61 | C80 | H802 | 107.6° | 107.5° |
| C63 | C62 | N20 | 125.9° | 123.1° |
| C62 | C63 | C64 | 125.5° | 123.6° |
| C62 | C63 | C83 | 117.4° | 117.6° |
| C62 | N20 | RH01 | 124.6° | 128.5° |
| C64 | C63 | C83 | 116.2° | 118.7° |
| C63 | C64 | C65 | 127.7° | 133.8° |
| C63 | C64 | N22 | 120.6° | 120.8° |
| C63 | C83 | H832 | 109.5° | 111.2° |
| C63 | C83 | H831 | 109.5° | 109.8° |
| C63 | C83 | H833 | 109.4° | 109.5° |
| C65 | C64 | N22 | 110.2° | 105.4° |
| C64 | C65 | C66 | 108.2° | 106.0° |
| C64 | C65 | C67 | 101.4° | 105.6° |
| C64 | C65 | C84 | 114.6° | 115.3° |
| C64 | N22 | C68 | 111.9° | 120.7° |
| C64 | N22 | RH01 | 132.1° | 134.5° |
| C66 | C65 | C67 | 115.9° | 112.7° |
| C66 | C65 | C84 | 107.5° | 108.7° |
| C65 | C66 | H661 | 109.5° | 110.6° |
| C65 | C66 | H663 | 109.4° | 109.8° |
| C65 | C66 | H662 | 109.5° | 110.0° |
| C67 | C65 | C84 | 109.4° | 108.6° |
| C65 | C67 | C68 | 103.7° | 105.0° |
| C65 | C67 | C90 | 117.7° | 117.7° |
| C65 | C67 | H671 | 105.3° | 106.9° |
| C65 | C84 | C85 | 115.0° | 118.5° |
| C65 | C84 | H842 | 108.1° | 108.4° |
| C65 | C84 | H841 | 108.1° | 108.5° |
| C68 | C67 | C90 | 117.5° | 118.7° |
| C67 | C68 | N22 | 100.5° | 101.2° |
| C68 | C67 | H671 | 105.8° | 102.3° |
| C67 | C68 | H681 | 108.4° | 107.0° |
| C67 | C90 | C91 | 111.6° | 118.1° |
| C90 | C67 | H671 | 105.7° | 104.6° |
| C67 | C90 | H901 | 108.9° | 108.6° |
| C67 | C90 | H902 | 108.9° | 109.1° |
| C68 | N22 | RH01 | 114.9° | 104.7° |
| N22 | C68 | H681 | 108.7° | 107.6° |
| C69 | C70 | N23 | 118.6° | 119.5° |
| C69 | C70 | O10 | 120.5° | 119.6° |
| C70 | C69 | H691 | 107.7° | 107.3° |
| C70 | C69 | H692 | 107.7° | 106.4° |
| N23 | C70 | O10 | 121.0° | 120.8° |
| C70 | N23 | H232 | 120.0° | 119.9° |
| C70 | N23 | H231 | 120.0° | 120.7° |
| C71 | C72 | C73 | 115.0° | 114.1° |
| C72 | C71 | H711 | 109.3° | 108.0° |
| C72 | C71 | H712 | 109.3° | 107.4° |
| C71 | C72 | H721 | 108.1° | 108.9° |
| C71 | C72 | H722 | 108.1° | 108.5° |
| C72 | C73 | N24 | 117.1° | 118.6° |
| C72 | C73 | O11 | 121.4° | 119.6° |
| C73 | C72 | H721 | 108.1° | 108.9° |
| C73 | C72 | H722 | 108.1° | 108.6° |
| N24 | C73 | O11 | 121.5° | 121.8° |
| C73 | N24 | H242 | 120.0° | 119.3° |
| C73 | N24 | H241 | 120.0° | 121.8° |
| C75 | C76 | N25 | 114.6° | 119.5° |
| C75 | C76 | O12 | 122.5° | 119.3° |
| C76 | C75 | H751 | 108.1° | 107.0° |
| C76 | C75 | H752 | 108.2° | 107.8° |
| N25 | C76 | O12 | 122.9° | 121.2° |
| C76 | N25 | H252 | 120.0° | 119.9° |
| C76 | N25 | H251 | 120.0° | 120.9° |
| C77 | C78 | C79 | 118.0° | 114.1° |
| C78 | C77 | H771 | 107.7° | 108.6° |
| C78 | C77 | H772 | 107.7° | 107.4° |
| C77 | C78 | H782 | 107.3° | 108.7° |
| C77 | C78 | H781 | 107.3° | 108.9° |
| C78 | C79 | N26 | 118.7° | 118.4° |
| C78 | C79 | O13 | 119.8° | 119.7° |
| C79 | C78 | H782 | 107.3° | 108.6° |
| C79 | C78 | H781 | 107.3° | 108.6° |
| N26 | C79 | O13 | 121.6° | 122.0° |
| C79 | N26 | H262 | 120.0° | 119.2° |
| C79 | N26 | H261 | 120.0° | 121.8° |
| C80 | C81 | C82 | 115.6° | 114.5° |
| C81 | C80 | H801 | 107.6° | 107.0° |
| C81 | C80 | H802 | 107.6° | 107.0° |
| C80 | C81 | H811 | 107.9° | 108.3° |
| C80 | C81 | H812 | 107.9° | 109.1° |
| C81 | C82 | N27 | 115.2° | 118.9° |
| C81 | C82 | O14 | 123.3° | 119.6° |
| C82 | C81 | H811 | 107.9° | 108.3° |
| C82 | C81 | H812 | 108.0° | 109.0° |
| N27 | C82 | O14 | 121.6° | 121.6° |
| C82 | N27 | H271 | 120.0° | 119.3° |
| C82 | N27 | H272 | 120.0° | 121.8° |
| C84 | C85 | C86 | 110.8° | 111.3° |
| C85 | C84 | H842 | 108.0° | 107.4° |
| C85 | C84 | H841 | 108.1° | 107.1° |
| C84 | C85 | H851 | 109.1° | 109.5° |
| C84 | C85 | H852 | 109.1° | 109.9° |
| C85 | C86 | N28 | 115.9° | 118.0° |
| C85 | C86 | O15 | 120.5° | 119.2° |
| C86 | C85 | H851 | 109.1° | 109.0° |
| C86 | C85 | H852 | 109.2° | 109.5° |
| N28 | C86 | O15 | 123.6° | 122.8° |
| C86 | N28 | C87 | 122.6° | 125.8° |
| C86 | N28 | H281 | 118.7° | 117.1° |
| C88 | C87 | N28 | 111.8° | 112.1° |
| C87 | C88 | C89 | 109.2° | 115.2° |
| C87 | C88 | O04 | 106.9° | 108.3° |
| C88 | C87 | H872 | 108.9° | 109.6° |
| C88 | C87 | H871 | 108.9° | 109.1° |
| C87 | C88 | H881 | 109.6° | 106.2° |
| N28 | C87 | H872 | 108.9° | 108.9° |
| N28 | C87 | H871 | 108.9° | 109.3° |
| C87 | N28 | H281 | 118.7° | 117.2° |
| C89 | C88 | O04 | 111.1° | 108.4° |
| C89 | C88 | H881 | 109.8° | 108.9° |
| C88 | C89 | H893 | 109.5° | 109.4° |
| C88 | C89 | H892 | 109.4° | 109.6° |
| C88 | C89 | H891 | 109.5° | 109.6° |
| C88 | O04 | P02 | 122.6° | 121.8° |
| O04 | C88 | H881 | 110.2° | 109.7° |
| C90 | C91 | N29 | 118.7° | 118.2° |
| C90 | C91 | O16 | 118.1° | 120.2° |
| C91 | C90 | H901 | 109.0° | 108.1° |
| C91 | C90 | H902 | 109.0° | 105.9° |
| N29 | C91 | O16 | 123.2° | 121.5° |
| C91 | N29 | H291 | 120.0° | 119.9° |
| C91 | N29 | H292 | 120.0° | 121.0° |
| N17 | RH01 | N19 | 90.0° | 87.8° |
| N17 | RH01 | N20 | 173.2° | 171.4° |
| N17 | RH01 | N22 | 82.7° | 87.3° |
| N19 | RH01 | N20 | 96.0° | 98.2° |
| N19 | RH01 | N22 | 171.8° | 172.0° |
| N20 | RH01 | N22 | 91.1° | 87.4° |
| O03 | P02 | O04 | 101.9° | 102.0° |
| O03 | P02 | O05 | 109.2° | 115.2° |
| O03 | P02 | O06 | 108.8° | 105.1° |
| O04 | P02 | O05 | 108.7° | 113.0° |
| O04 | P02 | O06 | 111.1° | 109.1° |
| O05 | P02 | O06 | 116.2° | 111.7° |
| P02 | O06 | H1 | 109.5° | 113.9° |
| H312 | C31 | H311 | 109.5° | 108.1° |
| H312 | C31 | H313 | 109.5° | 108.9° |
| H311 | C31 | H313 | 109.5° | 108.7° |
| H361 | C36 | H362 | 109.5° | 108.7° |
| H361 | C36 | H363 | 109.4° | 109.3° |
| H362 | C36 | H363 | 109.5° | 108.5° |
| H442 | C44 | H441 | 109.5° | 108.3° |
| H491 | C49 | H493 | 109.5° | 108.7° |
| H491 | C49 | H492 | 109.5° | 108.5° |
| H493 | C49 | H492 | 109.4° | 109.6° |
| H551 | C55 | H552 | 109.5° | 108.6° |
| H551 | C55 | H553 | 109.4° | 109.5° |
| H552 | C55 | H553 | 109.5° | 108.7° |
| H572 | C57 | H573 | 109.5° | 108.5° |
| H572 | C57 | H571 | 109.5° | 108.8° |
| H573 | C57 | H571 | 109.5° | 109.6° |
| H592 | C59 | H591 | 109.5° | 108.7° |
| H592 | C59 | H593 | 109.5° | 109.4° |
| H591 | C59 | H593 | 109.5° | 109.3° |
| H603 | C60 | H601 | 109.5° | 109.2° |
| H603 | C60 | H602 | 109.5° | 109.3° |
| H601 | C60 | H602 | 109.5° | 108.8° |
| H661 | C66 | H663 | 109.5° | 109.4° |
| H661 | C66 | H662 | 109.5° | 108.3° |
| H663 | C66 | H662 | 109.5° | 108.7° |
| H691 | C69 | H692 | 109.4° | 106.3° |
| H711 | C71 | H712 | 109.5° | 106.7° |
| H721 | C72 | H722 | 109.5° | 107.6° |
| H742 | C74 | H741 | 109.5° | 109.4° |
| H742 | C74 | H743 | 109.4° | 108.3° |
| H741 | C74 | H743 | 109.5° | 109.3° |
| H751 | C75 | H752 | 109.5° | 106.0° |
| H771 | C77 | H772 | 109.5° | 106.6° |
| H782 | C78 | H781 | 109.5° | 107.8° |
| H801 | C80 | H802 | 109.5° | 105.8° |
| H811 | C81 | H812 | 109.5° | 107.4° |
| H832 | C83 | H831 | 109.5° | 108.3° |
| H832 | C83 | H833 | 109.4° | 108.6° |
| H831 | C83 | H833 | 109.5° | 109.4° |
| H842 | C84 | H841 | 109.5° | 106.3° |
| H851 | C85 | H852 | 109.5° | 107.6° |
| H872 | C87 | H871 | 109.5° | 107.8° |
| H893 | C89 | H892 | 109.5° | 109.4° |
| H893 | C89 | H891 | 109.5° | 109.4° |
| H892 | C89 | H891 | 109.5° | 109.4° |
| H901 | C90 | H902 | 109.5° | 106.3° |
| H232 | N23 | H231 | 120.0° | 119.3° |
| H242 | N24 | H241 | 120.0° | 118.9° |
| H252 | N25 | H251 | 120.0° | 119.2° |
| H262 | N26 | H261 | 120.0° | 119.0° |
| H271 | N27 | H272 | 120.0° | 118.8° |
| H291 | N29 | H292 | 120.0° | 119.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C34 | C30 | N18 | O08 | 119.2° | 119.8° |
| C34 | C30 | N18 | H301 | 118.2° | 122.0° |
| C34 | C30 | O08 | H301 | 117.5° | 117.2° |
| C34 | C30 | N18 | C33 | 65.7° | 93.9° |
| C30 | C34 | C37 | O07 | 114.4° | 120.7° |
| C30 | C34 | C37 | H341 | 117.8° | 115.9° |
| C30 | C34 | O07 | H341 | 122.0° | 122.7° |
| C30 | C34 | C37 | C41 | 31.0° | 34.2° |
| C30 | C34 | C37 | O03 | 84.3° | 151.3° |
| C34 | C30 | O08 | C41 | 7.2° | 9.5° |
| C34 | C30 | N18 | C50 | 112.0° | 85.4° |
| C30 | C34 | C37 | H371 | 149.8° | 85.2° |
| C30 | C34 | O07 | H071 | 180.0° | 170.9° |
| N18 | C30 | O08 | H301 | 122.1° | 118.4° |
| C30 | N18 | C33 | C50 | 178.0° | 179.4° |
| C30 | N18 | C33 | N21 | 178.5° | 179.8° |
| N18 | C30 | C34 | C37 | 107.0° | 148.6° |
| N18 | C30 | C34 | O07 | 12.0° | 27.0° |
| N18 | C30 | O08 | C41 | 127.5° | 133.9° |
| C30 | N18 | C50 | C47 | 1.9° | 0.3° |
| C30 | N18 | C50 | C52 | 178.7° | 179.6° |
| C30 | N18 | C33 | H331 | 1.5° | 0.5° |
| N18 | C30 | C34 | H341 | 135.3° | 96.1° |
| O08 | C30 | N18 | C33 | 53.5° | 25.9° |
| O08 | C30 | C34 | C37 | 15.6° | 27.4° |
| O08 | C30 | C34 | O07 | 134.6° | 94.2° |
| C30 | O08 | C41 | C37 | 27.0° | 12.8° |
| C30 | O08 | C41 | C44 | 99.7° | 138.1° |
| O08 | C30 | N18 | C50 | 128.8° | 154.8° |
| O08 | C30 | C34 | H341 | 102.2° | 142.7° |
| C30 | O08 | C41 | H411 | 141.3° | 103.8° |
| C31 | C32 | C35 | C68 | 130.8° | 142.1° |
| C31 | C32 | C35 | N17 | 115.0° | 107.4° |
| C31 | C32 | C68 | N17 | 114.4° | 107.1° |
| C31 | C32 | C35 | C36 | 35.6° | 43.6° |
| C31 | C32 | C35 | C38 | 87.2° | 79.4° |
| C31 | C32 | C35 | C69 | 157.4° | 166.1° |
| C31 | C32 | N17 | C40 | 97.9° | 104.2° |
| C31 | C32 | C68 | C67 | 36.1° | 67.7° |
| C31 | C32 | C68 | N22 | 79.9° | 51.6° |
| C31 | C32 | N17 | RH01 | 86.8° | 71.7° |
| C32 | C31 | H312 | H311 | 120.0° | 120.9° |
| C32 | C31 | H312 | H313 | 120.0° | 121.1° |
| C32 | C31 | H311 | H313 | 120.0° | 120.7° |
| C31 | C32 | C68 | H681 | 162.0° | 168.3° |
| C35 | C32 | C68 | N17 | 112.3° | 107.7° |
| C32 | C35 | C36 | C38 | 115.9° | 115.6° |
| C32 | C35 | C36 | C69 | 122.8° | 126.1° |
| C32 | C35 | C38 | C69 | 116.3° | 120.1° |
| C32 | C35 | C38 | C40 | 24.6° | 31.0° |
| C32 | C35 | C38 | C71 | 102.8° | 93.8° |
| C35 | C32 | N17 | C40 | 22.8° | 17.1° |
| C35 | C32 | C68 | C67 | 97.2° | 77.6° |
| C35 | C32 | C68 | N22 | 146.8° | 163.2° |
| C32 | C35 | C69 | C70 | 171.5° | 176.6° |
| C35 | C32 | N17 | RH01 | 152.5° | 167.0° |
| C35 | C32 | C31 | H312 | 180.0° | 161.9° |
| C35 | C32 | C31 | H311 | 60.0° | 42.3° |
| C35 | C32 | C31 | H313 | 60.0° | 77.6° |
| C32 | C35 | C36 | H361 | 180.0° | 63.3° |
| C32 | C35 | C36 | H362 | 60.0° | 56.5° |
| C32 | C35 | C36 | H363 | 60.0° | 176.4° |
| C32 | C35 | C38 | H381 | 137.1° | 142.4° |
| C35 | C32 | C68 | H681 | 28.7° | 46.5° |
| C32 | C35 | C69 | H691 | 67.5° | 53.1° |
| C32 | C35 | C69 | H692 | 50.5° | 61.5° |
| C68 | C32 | C35 | C36 | 95.2° | 98.5° |
| C68 | C32 | C35 | C38 | 142.1° | 138.5° |
| C68 | C32 | C35 | C69 | 26.6° | 23.9° |
| C68 | C32 | N17 | C40 | 146.1° | 143.0° |
| C32 | C68 | N22 | C64 | 162.8° | 139.9° |
| C32 | C68 | C67 | C65 | 153.4° | 136.5° |
| C32 | C68 | C67 | N22 | 120.3° | 123.5° |
| C32 | C68 | C67 | H681 | 125.8° | 124.0° |
| C32 | C68 | C67 | C90 | 74.8° | 89.5° |
| C32 | C68 | N22 | H681 | 117.6° | 116.2° |
| C68 | C32 | N17 | RH01 | 29.2° | 41.1° |
| C32 | C68 | N22 | RH01 | 27.9° | 41.6° |
| C68 | C32 | C31 | H312 | 45.2° | 51.3° |
| C68 | C32 | C31 | H311 | 74.8° | 170.9° |
| C68 | C32 | C31 | H313 | 165.2° | 69.2° |
| C32 | C68 | C67 | H671 | 42.9° | 25.0° |
| N17 | C32 | C35 | C36 | 150.6° | 151.0° |
| N17 | C32 | C35 | C38 | 27.8° | 28.0° |
| N17 | C32 | C35 | C69 | 87.6° | 86.6° |
| C32 | N17 | C40 | C38 | 6.9° | 2.6° |
| C32 | N17 | C40 | C43 | 167.1° | 173.0° |
| C32 | N17 | C40 | RH01 | 174.6° | 174.9° |
| N17 | C32 | C68 | C67 | 150.5° | 174.7° |
| N17 | C32 | C68 | N22 | 34.5° | 55.5° |
| C32 | N17 | RH01 | N19 | 163.8° | 169.5° |
| C32 | N17 | RH01 | N20 | 12.0° | 34.5° |
| C32 | N17 | RH01 | N22 | 12.3° | 16.8° |
| N17 | C32 | C31 | H312 | 68.1° | 56.8° |
| N17 | C32 | C31 | H311 | 171.9° | 62.8° |
| N17 | C32 | C31 | H313 | 52.0° | 177.3° |
| N17 | C32 | C68 | H681 | 83.6° | 61.2° |
| N18 | C33 | N21 | H331 | 180.0° | 179.7° |
| C33 | N18 | C50 | C47 | 179.9° | 179.8° |
| C33 | N18 | C50 | C52 | 0.6° | 0.2° |
| N18 | C33 | N21 | C52 | 0.2° | 0.3° |
| C33 | N18 | C30 | H301 | 176.1° | 144.1° |
| C33 | N21 | C52 | C39 | 179.9° | 179.9° |
| C33 | N21 | C52 | C50 | 0.2° | 0.2° |
| N21 | C33 | N18 | C50 | 0.5° | 0.3° |
| C37 | C34 | O07 | H341 | 126.7° | 122.5° |
| C34 | C37 | C41 | O03 | 118.4° | 119.6° |
| C34 | C37 | C41 | H371 | 118.7° | 118.1° |
| C34 | C37 | O03 | H371 | 124.9° | 123.3° |
| C34 | C37 | C41 | C44 | 86.4° | 149.9° |
| C34 | C37 | C41 | O08 | 35.5° | 29.5° |
| C34 | C37 | O03 | P02 | 114.6° | 93.3° |
| C37 | C34 | C30 | H301 | 134.3° | 89.5° |
| C34 | C37 | C41 | H411 | 150.6° | 87.0° |
| C37 | C34 | O07 | H071 | 68.8° | 74.2° |
| O07 | C34 | C37 | C41 | 145.4° | 86.5° |
| O07 | C34 | C37 | O03 | 30.1° | 30.6° |
| O07 | C34 | C30 | H301 | 106.7° | 148.9° |
| O07 | C34 | C37 | H371 | 95.8° | 154.1° |
| C36 | C35 | C38 | C69 | 120.8° | 119.0° |
| C36 | C35 | C38 | C40 | 147.5° | 151.9° |
| C36 | C35 | C38 | C71 | 20.0° | 27.0° |
| C36 | C35 | C69 | C70 | 63.4° | 59.0° |
| C35 | C36 | H361 | H362 | 120.0° | 121.0° |
| C35 | C36 | H361 | H363 | 120.0° | 120.7° |
| C35 | C36 | H362 | H363 | 120.0° | 120.8° |
| C36 | C35 | C38 | H381 | 100.0° | 96.8° |
| C36 | C35 | C69 | H691 | 57.6° | 177.6° |
| C36 | C35 | C69 | H692 | 175.6° | 63.0° |
| C35 | C38 | C40 | C71 | 130.4° | 133.1° |
| C35 | C38 | C40 | H381 | 112.1° | 112.3° |
| C35 | C38 | C71 | H381 | 119.9° | 124.1° |
| C35 | C38 | C40 | C43 | 173.5° | 153.3° |
| C35 | C38 | C40 | N17 | 12.5° | 22.0° |
| C38 | C35 | C69 | C70 | 60.8° | 64.5° |
| C35 | C38 | C71 | C72 | 93.7° | 94.7° |
| C38 | C35 | C36 | H361 | 64.1° | 178.9° |
| C38 | C35 | C36 | H362 | 55.9° | 59.1° |
| C38 | C35 | C36 | H363 | 175.9° | 60.8° |
| C38 | C35 | C69 | H691 | 178.2° | 58.9° |
| C38 | C35 | C69 | H692 | 60.3° | 173.5° |
| C35 | C38 | C71 | H711 | 146.2° | 28.2° |
| C35 | C38 | C71 | H712 | 26.4° | 143.9° |
| C69 | C35 | C38 | C40 | 91.7° | 89.1° |
| C69 | C35 | C38 | C71 | 140.9° | 146.0° |
| C35 | C69 | C70 | H691 | 121.0° | 123.8° |
| C35 | C69 | C70 | H692 | 121.0° | 122.7° |
| C35 | C69 | C70 | N23 | 94.9° | 90.6° |
| C35 | C69 | C70 | O10 | 85.6° | 92.9° |
| C69 | C35 | C36 | H361 | 57.2° | 62.8° |
| C69 | C35 | C36 | H362 | 177.2° | 177.4° |
| C69 | C35 | C36 | H363 | 62.8° | 57.5° |
| C69 | C35 | C38 | H381 | 20.8° | 22.2° |
| C35 | C69 | H691 | H692 | 116.9° | 115.7° |
| C41 | C37 | O03 | H371 | 122.0° | 123.2° |
| C37 | C41 | C44 | O08 | 117.5° | 118.4° |
| C37 | C41 | C44 | H411 | 122.9° | 123.3° |
| C37 | C41 | O08 | H411 | 114.3° | 116.7° |
| C37 | C41 | C44 | O09 | 19.4° | 179.5° |
| C41 | C37 | O03 | P02 | 132.3° | 153.1° |
| C41 | C37 | C34 | H341 | 86.8° | 150.1° |
| C37 | C41 | C44 | H442 | 100.9° | 59.9° |
| C37 | C41 | C44 | H441 | 139.7° | 58.8° |
| O03 | C37 | C41 | C44 | 155.1° | 90.5° |
| O03 | C37 | C41 | O08 | 83.0° | 149.1° |
| C37 | O03 | P02 | O04 | 12.6° | 80.3° |
| C37 | O03 | P02 | O05 | 127.5° | 42.4° |
| C37 | O03 | P02 | O06 | 104.8° | 165.8° |
| O03 | C37 | C34 | H341 | 157.9° | 92.8° |
| O03 | C37 | C41 | H411 | 32.2° | 32.5° |
| C40 | C38 | C71 | H381 | 117.6° | 114.2° |
| C38 | C40 | C43 | N17 | 173.2° | 174.6° |
| C38 | C40 | C43 | C46 | 171.6° | 158.6° |
| C38 | C40 | C43 | C74 | 12.7° | 18.7° |
| C40 | C38 | C71 | C72 | 143.8° | 143.5° |
| C38 | C40 | N17 | RH01 | 167.7° | 172.4° |
| C40 | C38 | C71 | H711 | 23.7° | 93.6° |
| C40 | C38 | C71 | H712 | 96.1° | 22.1° |
| C71 | C38 | C40 | C43 | 56.0° | 73.6° |
| C71 | C38 | C40 | N17 | 117.9° | 111.1° |
| C38 | C71 | C72 | H711 | 120.1° | 123.5° |
| C38 | C71 | C72 | H712 | 120.1° | 121.8° |
| C38 | C71 | C72 | C73 | 170.1° | 75.0° |
| C38 | C71 | H711 | H712 | 119.7° | 116.7° |
| C38 | C71 | C72 | H721 | 69.1° | 46.9° |
| C38 | C71 | C72 | H722 | 49.3° | 163.8° |
| C42 | C39 | C52 | H391 | 180.0° | 179.8° |
| C39 | C42 | C45 | C55 | 179.8° | 179.4° |
| C39 | C42 | C45 | C47 | 0.2° | 0.4° |
| C39 | C42 | C45 | C57 | 179.9° | 179.9° |
| C42 | C39 | C52 | C50 | 0.1° | 0.1° |
| C42 | C39 | C52 | N21 | 180.0° | 179.8° |
| C39 | C42 | C55 | H551 | 90.1° | 123.4° |
| C39 | C42 | C55 | H552 | 149.9° | 3.6° |
| C39 | C42 | C55 | H553 | 29.9° | 116.0° |
| C52 | C39 | C42 | C45 | 0.2° | 0.4° |
| C52 | C39 | C42 | C55 | 180.0° | 179.8° |
| C39 | C52 | C50 | C47 | 0.1° | 0.1° |
| C39 | C52 | C50 | N21 | 179.9° | 180.0° |
| C39 | C52 | C50 | N18 | 179.6° | 180.0° |
| C40 | C43 | C46 | C74 | 175.4° | 177.2° |
| C40 | C43 | C46 | C48 | 166.1° | 167.4° |
| C40 | C43 | C46 | N19 | 10.3° | 17.3° |
| C43 | C40 | N17 | RH01 | 18.3° | 12.0° |
| C43 | C40 | C38 | H381 | 61.4° | 41.0° |
| C40 | C43 | C74 | H742 | 180.0° | 39.4° |
| C40 | C43 | C74 | H741 | 60.0° | 80.8° |
| C40 | C43 | C74 | H743 | 60.0° | 158.9° |
| N17 | C40 | C43 | C46 | 1.6° | 26.8° |
| N17 | C40 | C43 | C74 | 174.1° | 155.9° |
| C40 | N17 | RH01 | N19 | 21.8° | 5.9° |
| C40 | N17 | RH01 | N20 | 173.5° | 140.9° |
| C40 | N17 | RH01 | N22 | 162.1° | 167.8° |
| N17 | C40 | C38 | H381 | 124.7° | 134.3° |
| C44 | C41 | O08 | H411 | 119.1° | 118.1° |
| C41 | C44 | O09 | H442 | 120.3° | 120.9° |
| C41 | C44 | O09 | H441 | 120.3° | 121.0° |
| C44 | C41 | C37 | H371 | 32.2° | 31.8° |
| C41 | C44 | H442 | H441 | 119.2° | 119.5° |
| C41 | C44 | O09 | H091 | 180.0° | 179.9° |
| O08 | C41 | C44 | O09 | 136.9° | 62.1° |
| C41 | O08 | C30 | H301 | 110.4° | 107.7° |
| O08 | C41 | C37 | H371 | 154.1° | 88.6° |
| O08 | C41 | C44 | H442 | 16.6° | 58.5° |
| O08 | C41 | C44 | H441 | 102.8° | 177.2° |
| C42 | C45 | C47 | C57 | 179.7° | 179.7° |
| C42 | C45 | C47 | C50 | 0.2° | 0.2° |
| C45 | C42 | C39 | H391 | 179.9° | 179.8° |
| C42 | C45 | C47 | H471 | 179.8° | 179.8° |
| C45 | C42 | C55 | H551 | 90.1° | 57.2° |
| C45 | C42 | C55 | H552 | 29.9° | 177.0° |
| C45 | C42 | C55 | H553 | 149.9° | 63.4° |
| C42 | C45 | C57 | H572 | 89.8° | 176.4° |
| C42 | C45 | C57 | H573 | 150.1° | 56.8° |
| C42 | C45 | C57 | H571 | 30.2° | 63.9° |
| C55 | C42 | C45 | C47 | 180.0° | 179.8° |
| C55 | C42 | C45 | C57 | 0.2° | 0.5° |
| C55 | C42 | C39 | H391 | 0.0° | 0.4° |
| C42 | C55 | H551 | H552 | 120.0° | 120.7° |
| C42 | C55 | H551 | H553 | 120.0° | 120.7° |
| C42 | C55 | H552 | H553 | 120.0° | 120.3° |
| C43 | C46 | C48 | N19 | 159.3° | 175.6° |
| C43 | C46 | C48 | C49 | 56.0° | 49.8° |
| C43 | C46 | C48 | C51 | 174.6° | 172.2° |
| C43 | C46 | C48 | C75 | 68.4° | 73.8° |
| C43 | C46 | N19 | C53 | 170.7° | 177.1° |
| C43 | C46 | N19 | RH01 | 0.6° | 5.6° |
| C46 | C43 | C74 | H742 | 4.2° | 143.2° |
| C46 | C43 | C74 | H741 | 124.2° | 96.6° |
| C46 | C43 | C74 | H743 | 115.8° | 23.7° |
| C74 | C43 | C46 | C48 | 9.3° | 9.8° |
| C74 | C43 | C46 | N19 | 165.1° | 165.5° |
| C43 | C74 | H742 | H741 | 120.0° | 120.1° |
| C43 | C74 | H742 | H743 | 120.0° | 120.9° |
| C43 | C74 | H741 | H743 | 120.0° | 121.1° |
| O09 | C44 | C41 | H411 | 103.5° | 56.2° |
| O09 | C44 | H442 | H441 | 119.2° | 118.8° |
| C45 | C47 | C50 | H471 | 180.0° | 180.0° |
| C45 | C47 | C50 | C52 | 0.1° | 0.1° |
| C45 | C47 | C50 | N18 | 179.5° | 180.0° |
| C47 | C45 | C57 | H572 | 89.9° | 3.4° |
| C47 | C45 | C57 | H573 | 30.1° | 122.9° |
| C47 | C45 | C57 | H571 | 150.1° | 116.4° |
| C57 | C45 | C47 | C50 | 179.9° | 179.9° |
| C57 | C45 | C47 | H471 | 0.1° | 0.1° |
| C45 | C57 | H572 | H573 | 120.0° | 120.4° |
| C45 | C57 | H572 | H571 | 120.0° | 120.4° |
| C45 | C57 | H573 | H571 | 120.0° | 120.8° |
| C46 | C48 | C49 | C51 | 110.9° | 116.4° |
| C46 | C48 | C49 | C75 | 126.0° | 125.2° |
| C46 | C48 | C51 | C75 | 120.3° | 118.3° |
| C46 | C48 | C51 | C53 | 30.2° | 17.1° |
| C46 | C48 | C51 | C77 | 93.6° | 105.5° |
| C48 | C46 | N19 | C53 | 10.9° | 0.9° |
| C46 | C48 | C75 | C76 | 171.2° | 39.0° |
| C48 | C46 | N19 | RH01 | 159.3° | 170.7° |
| C46 | C48 | C49 | H491 | 180.0° | 75.1° |
| C46 | C48 | C49 | H493 | 60.0° | 44.6° |
| C46 | C48 | C49 | H492 | 60.0° | 165.3° |
| C46 | C48 | C51 | H511 | 143.5° | 127.0° |
| C46 | C48 | C75 | H751 | 50.5° | 83.0° |
| C46 | C48 | C75 | H752 | 68.0° | 162.5° |
| N19 | C46 | C48 | C49 | 144.6° | 134.6° |
| N19 | C46 | C48 | C51 | 26.0° | 12.2° |
| N19 | C46 | C48 | C75 | 90.9° | 101.9° |
| C46 | N19 | C53 | C51 | 10.3° | 11.8° |
| C46 | N19 | C53 | C54 | 167.1° | 166.6° |
| C46 | N19 | C53 | RH01 | 170.6° | 172.6° |
| C46 | N19 | RH01 | N17 | 12.7° | 14.4° |
| C46 | N19 | RH01 | N20 | 170.6° | 171.7° |
| C46 | N19 | RH01 | N22 | 40.7° | 37.7° |
| C47 | C50 | C52 | N18 | 179.5° | 180.0° |
| C47 | C50 | C52 | N21 | 180.0° | 180.0° |
| C49 | C48 | C51 | C75 | 124.3° | 120.0° |
| C49 | C48 | C51 | C53 | 145.6° | 138.9° |
| C49 | C48 | C51 | C77 | 21.8° | 16.3° |
| C49 | C48 | C75 | C76 | 48.4° | 164.3° |
| C48 | C49 | H491 | H493 | 120.0° | 120.2° |
| C48 | C49 | H491 | H492 | 120.0° | 120.6° |
| C48 | C49 | H493 | H492 | 120.0° | 121.0° |
| C49 | C48 | C51 | H511 | 101.0° | 111.3° |
| C49 | C48 | C75 | H751 | 72.4° | 42.4° |
| C49 | C48 | C75 | H752 | 169.2° | 72.2° |
| C48 | C51 | C53 | C77 | 127.7° | 130.1° |
| C48 | C51 | C53 | H511 | 112.9° | 114.2° |
| C48 | C51 | C77 | H511 | 122.7° | 128.6° |
| C48 | C51 | C53 | C54 | 151.2° | 159.9° |
| C48 | C51 | C53 | N19 | 26.3° | 18.6° |
| C51 | C48 | C75 | C76 | 76.6° | 73.1° |
| C48 | C51 | C77 | C78 | 175.6° | 101.4° |
| C51 | C48 | C49 | H491 | 69.1° | 168.5° |
| C51 | C48 | C49 | H493 | 51.0° | 71.9° |
| C51 | C48 | C49 | H492 | 170.9° | 48.8° |
| C51 | C48 | C75 | H751 | 162.6° | 165.0° |
| C51 | C48 | C75 | H752 | 44.1° | 50.4° |
| C48 | C51 | C77 | H771 | 54.5° | 21.5° |
| C48 | C51 | C77 | H772 | 63.4° | 138.0° |
| C75 | C48 | C51 | C53 | 90.2° | 101.1° |
| C75 | C48 | C51 | C77 | 146.1° | 136.3° |
| C48 | C75 | C76 | H751 | 120.8° | 122.5° |
| C48 | C75 | C76 | H752 | 120.8° | 123.9° |
| C48 | C75 | C76 | N25 | 78.1° | 94.2° |
| C48 | C75 | C76 | O12 | 102.2° | 87.0° |
| C75 | C48 | C49 | H491 | 54.0° | 50.1° |
| C75 | C48 | C49 | H493 | 174.1° | 169.8° |
| C75 | C48 | C49 | H492 | 66.0° | 69.5° |
| C75 | C48 | C51 | H511 | 23.2° | 8.7° |
| C48 | C75 | H751 | H752 | 117.6° | 116.3° |
| C50 | C52 | C39 | H391 | 179.9° | 180.0° |
| C52 | C50 | C47 | H471 | 179.9° | 180.0° |
| N18 | C50 | C52 | N21 | 0.5° | 0.0° |
| C50 | N18 | C30 | H301 | 6.2° | 36.6° |
| C50 | N18 | C33 | H331 | 179.5° | 180.0° |
| N18 | C50 | C47 | H471 | 0.5° | 0.0° |
| C53 | C51 | C77 | H511 | 119.6° | 113.5° |
| C51 | C53 | C54 | N19 | 177.0° | 178.3° |
| C51 | C53 | C54 | C56 | 178.5° | 168.5° |
| C53 | C51 | C77 | C78 | 57.9° | 140.7° |
| C51 | C53 | N19 | RH01 | 179.1° | 175.6° |
| C51 | C53 | C54 | H541 | 1.6° | 15.7° |
| C53 | C51 | C77 | H771 | 63.1° | 96.4° |
| C53 | C51 | C77 | H772 | 178.9° | 20.1° |
| C77 | C51 | C53 | C54 | 81.1° | 70.0° |
| C77 | C51 | C53 | N19 | 101.5° | 111.5° |
| C51 | C77 | C78 | H771 | 121.0° | 123.6° |
| C51 | C77 | C78 | H772 | 121.0° | 121.4° |
| C51 | C77 | C78 | C79 | 178.1° | 174.4° |
| C51 | C77 | H771 | H772 | 116.8° | 117.9° |
| C51 | C77 | C78 | H782 | 56.9° | 64.2° |
| C51 | C77 | C78 | H781 | 60.7° | 53.0° |
| C52 | N21 | C33 | H331 | 179.8° | 180.0° |
| N21 | C52 | C39 | H391 | 0.0° | 0.0° |
| C53 | C54 | C56 | H541 | 180.0° | 175.8° |
| C53 | C54 | C56 | C58 | 173.7° | 173.9° |
| C53 | C54 | C56 | N20 | 8.3° | 10.4° |
| C54 | C53 | N19 | RH01 | 3.5° | 6.0° |
| C54 | C53 | C51 | H511 | 38.3° | 45.7° |
| N19 | C53 | C54 | C56 | 1.4° | 13.2° |
| C53 | N19 | RH01 | N17 | 178.0° | 174.6° |
| C53 | N19 | RH01 | N20 | 1.2° | 0.7° |
| C53 | N19 | RH01 | N22 | 150.0° | 133.3° |
| N19 | C53 | C51 | H511 | 139.1° | 132.8° |
| N19 | C53 | C54 | H541 | 178.6° | 162.6° |
| C54 | C56 | C58 | N20 | 178.2° | 176.2° |
| C54 | C56 | C58 | C59 | 71.4° | 37.7° |
| C54 | C56 | C58 | C60 | 47.5° | 83.2° |
| C54 | C56 | C58 | C61 | 173.6° | 160.6° |
| C54 | C56 | N20 | C62 | 174.0° | 176.3° |
| C54 | C56 | N20 | RH01 | 13.7° | 1.5° |
| C56 | C58 | C59 | C60 | 120.3° | 121.4° |
| C56 | C58 | C59 | C61 | 111.0° | 112.2° |
| C56 | C58 | C60 | C61 | 117.1° | 107.1° |
| C56 | C58 | C61 | C62 | 3.3° | 28.2° |
| C56 | C58 | C61 | C80 | 118.8° | 95.8° |
| C58 | C56 | N20 | C62 | 4.2° | 7.4° |
| C58 | C56 | N20 | RH01 | 168.1° | 177.7° |
| C58 | C56 | C54 | H541 | 6.3° | 10.3° |
| C56 | C58 | C59 | H592 | 180.0° | 72.5° |
| C56 | C58 | C59 | H591 | 60.0° | 46.9° |
| C56 | C58 | C59 | H593 | 60.0° | 167.0° |
| C56 | C58 | C60 | H603 | 180.0° | 172.6° |
| C56 | C58 | C60 | H601 | 60.0° | 52.4° |
| C56 | C58 | C60 | H602 | 60.0° | 67.2° |
| C56 | C58 | C61 | H611 | 118.4° | 140.9° |
| N20 | C56 | C58 | C59 | 110.4° | 146.1° |
| N20 | C56 | C58 | C60 | 130.7° | 92.9° |
| N20 | C56 | C58 | C61 | 4.6° | 23.2° |
| C56 | N20 | C62 | C61 | 1.7° | 12.8° |
| C56 | N20 | C62 | C63 | 173.2° | 166.4° |
| C56 | N20 | C62 | RH01 | 172.1° | 174.4° |
| C56 | N20 | RH01 | N17 | 160.9° | 137.3° |
| C56 | N20 | RH01 | N19 | 9.4° | 2.8° |
| C56 | N20 | RH01 | N22 | 174.9° | 171.4° |
| N20 | C56 | C54 | H541 | 171.6° | 165.5° |
| C59 | C58 | C60 | C61 | 123.3° | 128.9° |
| C59 | C58 | C61 | C62 | 112.3° | 149.2° |
| C59 | C58 | C61 | C80 | 125.6° | 25.2° |
| C58 | C59 | H592 | H591 | 120.0° | 120.0° |
| C58 | C59 | H592 | H593 | 120.0° | 120.7° |
| C58 | C59 | H591 | H593 | 120.0° | 120.3° |
| C59 | C58 | C60 | H603 | 60.4° | 63.4° |
| C59 | C58 | C60 | H601 | 179.6° | 176.4° |
| C59 | C58 | C60 | H602 | 59.6° | 56.8° |
| C59 | C58 | C61 | H611 | 2.9° | 98.1° |
| C60 | C58 | C61 | C62 | 124.6° | 86.1° |
| C60 | C58 | C61 | C80 | 2.5° | 150.0° |
| C60 | C58 | C59 | H592 | 59.7° | 48.9° |
| C60 | C58 | C59 | H591 | 60.3° | 168.3° |
| C60 | C58 | C59 | H593 | 179.7° | 71.6° |
| C58 | C60 | H603 | H601 | 120.0° | 120.6° |
| C58 | C60 | H603 | H602 | 120.0° | 120.5° |
| C58 | C60 | H601 | H602 | 120.0° | 120.2° |
| C60 | C58 | C61 | H611 | 120.3° | 26.7° |
| C58 | C61 | C62 | C80 | 126.4° | 132.6° |
| C58 | C61 | C62 | H611 | 114.9° | 112.8° |
| C58 | C61 | C80 | H611 | 122.6° | 123.7° |
| C58 | C61 | C62 | C63 | 170.4° | 152.0° |
| C58 | C61 | C62 | N20 | 1.2° | 27.1° |
| C58 | C61 | C80 | C81 | 77.8° | 63.8° |
| C61 | C58 | C59 | H592 | 69.0° | 175.3° |
| C61 | C58 | C59 | H591 | 171.0° | 65.3° |
| C61 | C58 | C59 | H593 | 51.0° | 54.8° |
| C61 | C58 | C60 | H603 | 62.9° | 65.5° |
| C61 | C58 | C60 | H601 | 57.1° | 54.7° |
| C61 | C58 | C60 | H602 | 177.1° | 174.2° |
| C58 | C61 | C80 | H801 | 43.2° | 173.1° |
| C58 | C61 | C80 | H802 | 161.2° | 60.0° |
| C62 | C61 | C80 | H611 | 118.8° | 115.1° |
| C61 | C62 | C63 | N20 | 170.2° | 179.0° |
| C61 | C62 | C63 | C64 | 171.0° | 171.5° |
| C61 | C62 | C63 | C83 | 2.9° | 10.0° |
| C62 | C61 | C80 | C81 | 40.9° | 57.4° |
| C61 | C62 | N20 | RH01 | 170.4° | 161.6° |
| C62 | C61 | C80 | H801 | 161.9° | 65.6° |
| C62 | C61 | C80 | H802 | 80.2° | 178.8° |
| C80 | C61 | C62 | C63 | 63.3° | 75.4° |
| C80 | C61 | C62 | N20 | 125.1° | 105.5° |
| C61 | C80 | C81 | H801 | 121.0° | 123.0° |
| C61 | C80 | C81 | H802 | 121.0° | 124.0° |
| C61 | C80 | C81 | C82 | 167.5° | 113.5° |
| C61 | C80 | H801 | H802 | 116.7° | 114.4° |
| C61 | C80 | C81 | H811 | 71.6° | 125.6° |
| C61 | C80 | C81 | H812 | 46.6° | 9.0° |
| C62 | C63 | C64 | C83 | 168.2° | 178.4° |
| C62 | C63 | C64 | C65 | 166.4° | 176.3° |
| C62 | C63 | C64 | N22 | 1.8° | 0.5° |
| C63 | C62 | N20 | RH01 | 1.1° | 19.2° |
| C63 | C62 | C61 | H611 | 55.5° | 39.2° |
| C62 | C63 | C83 | H832 | 180.0° | 7.7° |
| C62 | C63 | C83 | H831 | 60.0° | 127.5° |
| C62 | C63 | C83 | H833 | 60.0° | 112.4° |
| N20 | C62 | C63 | C64 | 0.7° | 9.5° |
| N20 | C62 | C63 | C83 | 167.3° | 168.9° |
| C62 | N20 | RH01 | N17 | 27.7° | 36.6° |
| C62 | N20 | RH01 | N19 | 179.3° | 171.0° |
| C62 | N20 | RH01 | N22 | 3.5° | 14.7° |
| N20 | C62 | C61 | H611 | 116.1° | 139.9° |
| C63 | C64 | C65 | N22 | 165.8° | 177.2° |
| C63 | C64 | C65 | C66 | 75.0° | 67.1° |
| C63 | C64 | C65 | C67 | 162.7° | 173.2° |
| C63 | C64 | C65 | C84 | 44.9° | 53.3° |
| C63 | C64 | N22 | C68 | 173.4° | 178.6° |
| C63 | C64 | N22 | RH01 | 6.6° | 0.7° |
| C64 | C63 | C83 | H832 | 10.8° | 173.8° |
| C64 | C63 | C83 | H831 | 130.8° | 54.0° |
| C64 | C63 | C83 | H833 | 109.2° | 66.2° |
| C83 | C63 | C64 | C65 | 25.4° | 2.1° |
| C83 | C63 | C64 | N22 | 170.0° | 179.0° |
| C63 | C83 | H832 | H831 | 120.0° | 120.7° |
| C63 | C83 | H832 | H833 | 120.0° | 120.6° |
| C63 | C83 | H831 | H833 | 120.0° | 120.3° |
| C64 | C65 | C66 | C67 | 113.0° | 115.0° |
| C64 | C65 | C66 | C84 | 124.3° | 124.5° |
| C64 | C65 | C67 | C84 | 121.4° | 124.2° |
| C64 | C65 | C67 | C68 | 23.3° | 14.3° |
| C64 | C65 | C67 | C90 | 154.9° | 148.8° |
| C65 | C64 | N22 | C68 | 19.6° | 0.9° |
| C64 | C65 | C84 | C85 | 54.7° | 41.0° |
| C65 | C64 | N22 | RH01 | 173.6° | 176.9° |
| C64 | C65 | C66 | H661 | 180.0° | 173.4° |
| C64 | C65 | C66 | H663 | 60.0° | 65.8° |
| C64 | C65 | C66 | H662 | 60.0° | 53.8° |
| C64 | C65 | C67 | H671 | 87.6° | 93.9° |
| C64 | C65 | C84 | H842 | 66.1° | 163.7° |
| C64 | C65 | C84 | H841 | 175.4° | 81.3° |
| N22 | C64 | C65 | C66 | 119.2° | 110.1° |
| N22 | C64 | C65 | C67 | 3.2° | 9.6° |
| N22 | C64 | C65 | C84 | 120.9° | 129.5° |
| C64 | N22 | C68 | C67 | 34.1° | 8.2° |
| C64 | N22 | C68 | RH01 | 169.3° | 178.4° |
| C64 | N22 | RH01 | N17 | 176.2° | 168.1° |
| C64 | N22 | RH01 | N19 | 155.5° | 139.7° |
| C64 | N22 | RH01 | N20 | 6.6° | 5.2° |
| C64 | N22 | C68 | H681 | 79.6° | 103.8° |
| C66 | C65 | C67 | C84 | 121.7° | 120.5° |
| C66 | C65 | C67 | C68 | 93.6° | 101.0° |
| C66 | C65 | C67 | C90 | 38.0° | 33.6° |
| C66 | C65 | C84 | C85 | 175.0° | 159.8° |
| C65 | C66 | H661 | H663 | 120.0° | 121.1° |
| C65 | C66 | H661 | H662 | 120.0° | 120.7° |
| C65 | C66 | H663 | H662 | 120.0° | 120.4° |
| C66 | C65 | C67 | H671 | 155.5° | 150.8° |
| C66 | C65 | C84 | H842 | 54.2° | 77.5° |
| C66 | C65 | C84 | H841 | 64.2° | 37.5° |
| C65 | C67 | C68 | C90 | 131.8° | 134.1° |
| C65 | C67 | C68 | H671 | 110.5° | 111.5° |
| C65 | C67 | C90 | H671 | 117.2° | 118.5° |
| C65 | C67 | C68 | N22 | 33.1° | 13.0° |
| C67 | C65 | C84 | C85 | 58.4° | 77.3° |
| C65 | C67 | C90 | C91 | 72.1° | 129.9° |
| C67 | C65 | C66 | H661 | 67.0° | 71.5° |
| C67 | C65 | C66 | H663 | 173.0° | 49.2° |
| C67 | C65 | C66 | H662 | 53.0° | 168.8° |
| C65 | C67 | C68 | H681 | 80.8° | 99.5° |
| C67 | C65 | C84 | H842 | 179.2° | 45.4° |
| C67 | C65 | C84 | H841 | 62.4° | 160.4° |
| C65 | C67 | C90 | H901 | 48.2° | 106.6° |
| C65 | C67 | C90 | H902 | 167.6° | 9.0° |
| C84 | C65 | C67 | C68 | 144.7° | 138.5° |
| C84 | C65 | C67 | C90 | 83.6° | 86.9° |
| C65 | C84 | C85 | H842 | 120.8° | 123.1° |
| C65 | C84 | C85 | H841 | 120.8° | 123.0° |
| C65 | C84 | C85 | C86 | 156.4° | 174.5° |
| C84 | C65 | C66 | H661 | 55.7° | 48.9° |
| C84 | C65 | C66 | H663 | 64.3° | 169.7° |
| C84 | C65 | C66 | H662 | 175.7° | 70.7° |
| C84 | C65 | C67 | H671 | 33.8° | 30.3° |
| C65 | C84 | H842 | H841 | 117.5° | 116.5° |
| C65 | C84 | C85 | H851 | 83.4° | 65.0° |
| C65 | C84 | C85 | H852 | 36.2° | 53.1° |
| C68 | C67 | C90 | H671 | 117.7° | 113.2° |
| C67 | C68 | N22 | H681 | 113.7° | 112.0° |
| C68 | C67 | C90 | C91 | 162.8° | 101.7° |
| C67 | C68 | N22 | RH01 | 156.7° | 173.4° |
| C68 | C67 | C90 | H901 | 76.9° | 21.8° |
| C68 | C67 | C90 | H902 | 42.5° | 137.3° |
| C90 | C67 | C68 | N22 | 164.9° | 147.1° |
| C67 | C90 | C91 | H901 | 120.3° | 123.7° |
| C67 | C90 | C91 | H902 | 120.3° | 122.6° |
| C67 | C90 | C91 | N29 | 127.9° | 62.3° |
| C67 | C90 | C91 | O16 | 52.5° | 121.1° |
| C90 | C67 | C68 | H681 | 51.0° | 34.6° |
| C67 | C90 | H901 | H902 | 119.0° | 117.3° |
| C68 | N22 | RH01 | N17 | 9.6° | 13.8° |
| C68 | N22 | RH01 | N19 | 37.9° | 38.4° |
| C68 | N22 | RH01 | N20 | 173.2° | 172.9° |
| N22 | C68 | C67 | H671 | 77.4° | 98.5° |
| C69 | C70 | N23 | O10 | 179.5° | 176.5° |
| C70 | C69 | H691 | H692 | 116.8° | 113.5° |
| C69 | C70 | N23 | H232 | 179.5° | 179.5° |
| C69 | C70 | N23 | H231 | 0.5° | 0.9° |
| N23 | C70 | C69 | H691 | 144.1° | 145.6° |
| N23 | C70 | C69 | H692 | 26.1° | 32.2° |
| C70 | N23 | H232 | H231 | 180.0° | 179.6° |
| O10 | C70 | C69 | H691 | 35.5° | 30.9° |
| O10 | C70 | C69 | H692 | 153.4° | 144.4° |
| O10 | C70 | N23 | H232 | 0.0° | 4.1° |
| O10 | C70 | N23 | H231 | 180.0° | 175.5° |
| C71 | C72 | C73 | H721 | 120.8° | 121.9° |
| C71 | C72 | C73 | H722 | 120.8° | 121.2° |
| C71 | C72 | C73 | N24 | 147.9° | 91.1° |
| C71 | C72 | C73 | O11 | 31.3° | 89.0° |
| C72 | C71 | C38 | H381 | 26.3° | 29.4° |
| C72 | C71 | H711 | H712 | 119.6° | 115.2° |
| C71 | C72 | H721 | H722 | 117.5° | 117.5° |
| C72 | C73 | N24 | O11 | 179.2° | 179.9° |
| C73 | C72 | C71 | H711 | 49.9° | 161.5° |
| C73 | C72 | C71 | H712 | 69.8° | 46.8° |
| C73 | C72 | H721 | H722 | 117.5° | 117.6° |
| C72 | C73 | N24 | H242 | 179.2° | 179.9° |
| C72 | C73 | N24 | H241 | 0.8° | 0.3° |
| N24 | C73 | C72 | H721 | 27.1° | 30.8° |
| N24 | C73 | C72 | H722 | 91.3° | 147.7° |
| C73 | N24 | H242 | H241 | 180.0° | 179.8° |
| O11 | C73 | C72 | H721 | 152.1° | 149.1° |
| O11 | C73 | C72 | H722 | 89.5° | 32.2° |
| O11 | C73 | N24 | H242 | 0.0° | 0.0° |
| O11 | C73 | N24 | H241 | 180.0° | 179.8° |
| C75 | C76 | N25 | O12 | 179.6° | 178.8° |
| C76 | C75 | H751 | H752 | 117.6° | 114.9° |
| C75 | C76 | N25 | H252 | 179.6° | 178.5° |
| C75 | C76 | N25 | H251 | 0.3° | 2.7° |
| N25 | C76 | C75 | H751 | 161.1° | 28.3° |
| N25 | C76 | C75 | H752 | 42.7° | 141.9° |
| C76 | N25 | H252 | H251 | 180.0° | 178.8° |
| O12 | C76 | C75 | H751 | 18.5° | 150.5° |
| O12 | C76 | C75 | H752 | 137.0° | 36.9° |
| O12 | C76 | N25 | H252 | 0.0° | 2.8° |
| O12 | C76 | N25 | H251 | 180.0° | 176.0° |
| C77 | C78 | C79 | H782 | 121.2° | 121.4° |
| C77 | C78 | C79 | H781 | 121.2° | 121.6° |
| C77 | C78 | C79 | N26 | 36.0° | 86.7° |
| C77 | C78 | C79 | O13 | 145.0° | 93.7° |
| C78 | C77 | C51 | H511 | 61.7° | 27.2° |
| C78 | C77 | H771 | H772 | 116.8° | 115.5° |
| C77 | C78 | H782 | H781 | 116.1° | 117.9° |
| C78 | C79 | N26 | O13 | 179.1° | 179.6° |
| C79 | C78 | C77 | H771 | 60.9° | 50.8° |
| C79 | C78 | C77 | H772 | 57.1° | 64.2° |
| C79 | C78 | H782 | H781 | 116.2° | 117.5° |
| C78 | C79 | N26 | H262 | 179.0° | 179.9° |
| C78 | C79 | N26 | H261 | 0.9° | 0.2° |
| N26 | C79 | C78 | H782 | 157.2° | 34.7° |
| N26 | C79 | C78 | H781 | 85.2° | 151.6° |
| C79 | N26 | H262 | H261 | 180.0° | 179.9° |
| O13 | C79 | C78 | H782 | 23.7° | 144.9° |
| O13 | C79 | C78 | H781 | 93.8° | 28.0° |
| O13 | C79 | N26 | H262 | 0.0° | 0.3° |
| O13 | C79 | N26 | H261 | 180.0° | 179.8° |
| C80 | C81 | C82 | H811 | 120.9° | 120.9° |
| C80 | C81 | C82 | H812 | 120.9° | 122.6° |
| C80 | C81 | C82 | N27 | 53.7° | 111.9° |
| C80 | C81 | C82 | O14 | 126.0° | 68.6° |
| C81 | C80 | C61 | H611 | 159.7° | 172.5° |
| C81 | C80 | H801 | H802 | 116.7° | 113.9° |
| C80 | C81 | H811 | H812 | 117.2° | 117.7° |
| C81 | C82 | N27 | O14 | 179.7° | 179.5° |
| C82 | C81 | C80 | H801 | 46.5° | 9.5° |
| C82 | C81 | C80 | H802 | 71.4° | 122.5° |
| C82 | C81 | H811 | H812 | 117.3° | 117.5° |
| C81 | C82 | N27 | H271 | 179.8° | 178.4° |
| C81 | C82 | N27 | H272 | 0.3° | 2.8° |
| N27 | C82 | C81 | H811 | 174.6° | 127.2° |
| N27 | C82 | C81 | H812 | 67.1° | 10.6° |
| C82 | N27 | H271 | H272 | 180.0° | 178.8° |
| O14 | C82 | C81 | H811 | 5.1° | 52.3° |
| O14 | C82 | C81 | H812 | 113.1° | 168.8° |
| O14 | C82 | N27 | H271 | 0.0° | 2.1° |
| O14 | C82 | N27 | H272 | 180.0° | 176.7° |
| C84 | C85 | C86 | H851 | 120.2° | 120.8° |
| C84 | C85 | C86 | H852 | 120.2° | 121.7° |
| C84 | C85 | C86 | N28 | 97.1° | 91.0° |
| C84 | C85 | C86 | O15 | 83.2° | 89.1° |
| C85 | C84 | H842 | H841 | 117.5° | 114.3° |
| C84 | C85 | H851 | H852 | 119.4° | 119.4° |
| C85 | C86 | N28 | O15 | 179.6° | 179.9° |
| C85 | C86 | N28 | C87 | 153.5° | 173.5° |
| C86 | C85 | C84 | H842 | 35.6° | 51.4° |
| C86 | C85 | C84 | H841 | 82.8° | 62.5° |
| C86 | C85 | H851 | H852 | 119.4° | 118.6° |
| C85 | C86 | N28 | H281 | 26.6° | 6.6° |
| C86 | N28 | C87 | C88 | 135.9° | 90.5° |
| C86 | N28 | C87 | H281 | 180.0° | 179.9° |
| N28 | C86 | C85 | H851 | 23.0° | 148.1° |
| N28 | C86 | C85 | H852 | 142.7° | 30.7° |
| C86 | N28 | C87 | H872 | 15.6° | 148.1° |
| C86 | N28 | C87 | H871 | 103.7° | 30.6° |
| O15 | C86 | N28 | C87 | 26.2° | 6.6° |
| O15 | C86 | C85 | H851 | 156.6° | 31.8° |
| O15 | C86 | C85 | H852 | 37.0° | 149.2° |
| O15 | C86 | N28 | H281 | 153.8° | 173.3° |
| C88 | C87 | N28 | H872 | 120.4° | 121.4° |
| C88 | C87 | N28 | H871 | 120.3° | 121.1° |
| C87 | C88 | C89 | O04 | 117.7° | 121.5° |
| C87 | C88 | C89 | H881 | 120.1° | 119.2° |
| C87 | C88 | O04 | H881 | 119.0° | 115.5° |
| C87 | C88 | O04 | P02 | 164.4° | 120.5° |
| C88 | C87 | H872 | H871 | 118.9° | 118.6° |
| C87 | C88 | C89 | H893 | 180.0° | 180.0° |
| C87 | C88 | C89 | H892 | 60.0° | 60.0° |
| C87 | C88 | C89 | H891 | 60.0° | 60.1° |
| C88 | C87 | N28 | H281 | 44.1° | 89.7° |
| N28 | C87 | C88 | C89 | 56.5° | 83.1° |
| N28 | C87 | C88 | O04 | 63.8° | 155.4° |
| N28 | C87 | H872 | H871 | 118.9° | 118.4° |
| N28 | C87 | C88 | H881 | 176.8° | 37.6° |
| C89 | C88 | O04 | H881 | 121.9° | 118.8° |
| C89 | C88 | O04 | P02 | 76.5° | 113.8° |
| C89 | C88 | C87 | H872 | 63.9° | 37.9° |
| C89 | C88 | C87 | H871 | 176.9° | 155.7° |
| C88 | C89 | H893 | H892 | 120.0° | 120.1° |
| C88 | C89 | H893 | H891 | 120.0° | 120.1° |
| C88 | C89 | H892 | H891 | 120.0° | 120.2° |
| C88 | O04 | P02 | O03 | 69.1° | 168.7° |
| C88 | O04 | P02 | O05 | 46.2° | 67.1° |
| C88 | O04 | P02 | O06 | 175.3° | 57.8° |
| O04 | C88 | C87 | H872 | 175.9° | 83.6° |
| O04 | C88 | C87 | H871 | 56.6° | 34.2° |
| O04 | C88 | C89 | H893 | 62.3° | 58.5° |
| O04 | C88 | C89 | H892 | 177.6° | 61.5° |
| O04 | C88 | C89 | H891 | 57.6° | 178.4° |
| C90 | C91 | N29 | O16 | 179.5° | 176.6° |
| C91 | C90 | C67 | H671 | 45.1° | 11.5° |
| C91 | C90 | H901 | H902 | 119.1° | 113.4° |
| C90 | C91 | N29 | H291 | 179.5° | 178.0° |
| C90 | C91 | N29 | H292 | 0.4° | 3.7° |
| N29 | C91 | C90 | H901 | 7.6° | 174.0° |
| N29 | C91 | C90 | H902 | 111.8° | 60.4° |
| C91 | N29 | H291 | H292 | 180.0° | 178.4° |
| O16 | C91 | C90 | H901 | 172.8° | 2.6° |
| O16 | C91 | C90 | H902 | 67.8° | 116.3° |
| O16 | C91 | N29 | H291 | 0.0° | 5.4° |
| O16 | C91 | N29 | H292 | 180.0° | 172.9° |
| N17 | RH01 | N19 | N20 | 176.8° | 173.9° |
| N17 | RH01 | N19 | N22 | 28.0° | 52.1° |
| N17 | RH01 | N20 | N22 | 24.2° | 51.3° |
| N19 | RH01 | N20 | N22 | 175.7° | 174.2° |
| RH01 | N22 | C68 | H681 | 89.7° | 74.6° |
| O03 | P02 | O04 | O05 | 115.2° | 124.2° |
| O03 | P02 | O04 | O06 | 115.7° | 110.9° |
| O03 | P02 | O05 | O06 | 123.4° | 119.8° |
| P02 | O03 | C37 | H371 | 10.3° | 30.0° |
| O03 | P02 | O06 | H1 | 123.7° | 172.0° |
| O04 | P02 | O05 | O06 | 126.2° | 123.5° |
| P02 | O04 | C88 | H881 | 45.4° | 5.0° |
| O04 | P02 | O06 | H1 | 124.9° | 79.2° |
| O05 | P02 | O06 | H1 | 0.0° | 46.4° |
| H301 | C30 | C34 | H341 | 16.5° | 25.8° |
| H312 | C31 | H311 | H313 | 120.0° | 118.1° |
| H341 | C34 | C37 | H371 | 32.0° | 30.7° |
| H341 | C34 | O07 | H071 | 58.0° | 48.3° |
| H361 | C36 | H362 | H363 | 120.0° | 118.7° |
| H371 | C37 | C41 | H411 | 90.7° | 154.8° |
| H381 | C38 | C71 | H711 | 93.8° | 152.3° |
| H381 | C38 | C71 | H712 | 146.4° | 92.0° |
| H411 | C41 | C44 | H442 | 136.3° | 176.8° |
| H411 | C41 | C44 | H441 | 16.8° | 64.5° |
| H442 | C44 | O09 | H091 | 59.7° | 59.2° |
| H441 | C44 | O09 | H091 | 59.8° | 59.0° |
| H491 | C49 | H493 | H492 | 120.0° | 118.5° |
| H511 | C51 | C77 | H771 | 177.3° | 150.1° |
| H511 | C51 | C77 | H772 | 59.3° | 93.4° |
| H551 | C55 | H552 | H553 | 120.0° | 119.1° |
| H572 | C57 | H573 | H571 | 120.0° | 118.6° |
| H592 | C59 | H591 | H593 | 120.0° | 119.3° |
| H603 | C60 | H601 | H602 | 120.0° | 119.2° |
| H611 | C61 | C80 | H801 | 79.3° | 49.4° |
| H611 | C61 | C80 | H802 | 38.6° | 63.7° |
| H661 | C66 | H663 | H662 | 120.0° | 118.0° |
| H671 | C67 | C68 | H681 | 168.6° | 149.0° |
| H671 | C67 | C90 | H901 | 165.4° | 135.0° |
| H671 | C67 | C90 | H902 | 75.2° | 109.5° |
| H711 | C71 | C72 | H721 | 170.8° | 76.6° |
| H711 | C71 | C72 | H722 | 70.9° | 40.3° |
| H712 | C71 | C72 | H721 | 51.0° | 168.7° |
| H712 | C71 | C72 | H722 | 169.4° | 74.4° |
| H742 | C74 | H741 | H743 | 120.0° | 118.5° |
| H771 | C77 | C78 | H782 | 177.9° | 172.2° |
| H771 | C77 | C78 | H781 | 60.3° | 70.7° |
| H772 | C77 | C78 | H782 | 64.2° | 57.2° |
| H772 | C77 | C78 | H781 | 178.3° | 174.4° |
| H801 | C80 | C81 | H811 | 167.4° | 111.4° |
| H801 | C80 | C81 | H812 | 74.4° | 131.9° |
| H802 | C80 | C81 | H811 | 49.5° | 1.6° |
| H802 | C80 | C81 | H812 | 167.7° | 115.0° |
| H832 | C83 | H831 | H833 | 120.0° | 118.2° |
| H842 | C84 | C85 | H851 | 155.8° | 171.9° |
| H842 | C84 | C85 | H852 | 84.6° | 70.1° |
| H841 | C84 | C85 | H851 | 37.4° | 58.1° |
| H841 | C84 | C85 | H852 | 157.0° | 176.1° |
| H872 | C87 | C88 | H881 | 56.4° | 158.6° |
| H872 | C87 | N28 | H281 | 164.4° | 31.7° |
| H871 | C87 | C88 | H881 | 62.9° | 83.6° |
| H871 | C87 | N28 | H281 | 76.3° | 149.2° |
| H881 | C88 | C89 | H893 | 59.9° | 60.9° |
| H881 | C88 | C89 | H892 | 60.2° | 179.2° |
| H881 | C88 | C89 | H891 | 179.9° | 59.1° |
| H893 | C89 | H892 | H891 | 120.0° | 119.8° |
