A1EMN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | doub | 1.39Å | 1.40Å | Aromatic |
| C02 | C03 | sing | 1.36Å | 1.40Å | Aromatic |
| C03 | C04 | doub | 1.40Å | 1.41Å | Aromatic |
| C04 | C05 | sing | 1.42Å | 1.37Å | Aromatic |
| C05 | C06 | doub | 1.40Å | 1.43Å | Aromatic |
| C06 | C01 | sing | 1.36Å | 1.38Å | Aromatic |
| C04 | C07 | sing | 1.41Å | 1.44Å | Aromatic |
| C07 | C08 | doub | 1.38Å | 1.41Å | Aromatic |
| C08 | C09 | sing | 1.39Å | 1.42Å | Aromatic |
| C09 | C10 | doub | 1.38Å | 1.40Å | Aromatic |
| C10 | C05 | sing | 1.41Å | 1.44Å | Aromatic |
| C10 | N11 | sing | 1.40Å | 1.49Å | |
| C07 | N12 | sing | 1.40Å | 1.51Å | |
| N12 | S13 | sing | 1.66Å | 1.76Å | |
| N11 | S14 | sing | 1.66Å | 1.75Å | |
| S14 | C15 | sing | 1.76Å | 1.85Å | |
| S13 | C16 | sing | 1.76Å | 1.81Å | |
| S13 | O17 | doub | 1.42Å | 1.47Å | |
| S13 | O18 | doub | 1.42Å | 1.47Å | |
| S14 | O19 | doub | 1.42Å | 1.46Å | |
| S14 | O20 | doub | 1.42Å | 1.46Å | |
| C15 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.40Å | Aromatic |
| C22 | C23 | doub | 1.39Å | 1.39Å | Aromatic |
| C23 | C24 | sing | 1.39Å | 1.40Å | Aromatic |
| C24 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.40Å | Aromatic |
| C27 | C28 | doub | 1.39Å | 1.39Å | Aromatic |
| C28 | C29 | sing | 1.39Å | 1.39Å | Aromatic |
| C29 | C30 | doub | 1.38Å | 1.39Å | Aromatic |
| C30 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | O31 | sing | 1.36Å | 1.41Å | |
| O31 | C32 | sing | 1.43Å | 1.40Å | |
| C28 | N33 | sing | 1.40Å | 1.49Å | |
| N33 | C34 | sing | 1.35Å | 1.46Å | |
| C34 | C35 | sing | 1.51Å | 1.53Å | |
| C34 | O36 | doub | 1.21Å | 1.18Å | |
| C35 | C37 | sing | 1.53Å | 1.53Å | |
| C37 | C38 | sing | 1.53Å | 1.53Å | |
| C39 | N40 | sing | 1.35Å | 1.44Å | |
| N40 | C41 | sing | 1.40Å | 1.45Å | |
| N11 | C42 | sing | 1.46Å | 1.48Å | |
| C42 | C43 | sing | 1.51Å | 1.55Å | |
| C43 | N44 | sing | 1.35Å | 1.44Å | |
| C43 | O45 | doub | 1.21Å | 1.19Å | |
| N12 | C46 | sing | 1.46Å | 1.47Å | |
| C46 | C47 | sing | 1.51Å | 1.53Å | |
| C47 | N48 | sing | 1.35Å | 1.46Å | |
| C47 | O49 | doub | 1.21Å | 1.19Å | |
| C39 | O50 | doub | 1.21Å | 1.18Å | |
| C41 | C51 | doub | 1.39Å | 1.39Å | Aromatic |
| C51 | C52 | sing | 1.38Å | 1.39Å | Aromatic |
| C52 | C53 | doub | 1.38Å | 1.40Å | Aromatic |
| C53 | C54 | sing | 1.38Å | 1.38Å | Aromatic |
| C54 | C55 | doub | 1.38Å | 1.39Å | Aromatic |
| C55 | C41 | sing | 1.39Å | 1.39Å | Aromatic |
| C53 | S56 | sing | 1.76Å | 1.84Å | |
| S56 | N57 | sing | 1.66Å | 1.72Å | |
| S56 | O58 | doub | 1.42Å | 1.47Å | |
| S56 | O59 | doub | 1.42Å | 1.47Å | |
| N57 | C60 | sing | 1.40Å | 1.50Å | |
| C60 | C61 | doub | 1.41Å | 1.44Å | Aromatic |
| C61 | C62 | sing | 1.42Å | 1.38Å | Aromatic |
| C62 | C63 | doub | 1.41Å | 1.45Å | Aromatic |
| C63 | C64 | sing | 1.38Å | 1.39Å | Aromatic |
| C64 | C65 | doub | 1.39Å | 1.42Å | Aromatic |
| C65 | C60 | sing | 1.38Å | 1.40Å | Aromatic |
| C61 | C66 | sing | 1.40Å | 1.43Å | Aromatic |
| C66 | C67 | doub | 1.36Å | 1.40Å | Aromatic |
| C67 | C68 | sing | 1.39Å | 1.42Å | Aromatic |
| C68 | C69 | doub | 1.36Å | 1.40Å | Aromatic |
| C69 | C62 | sing | 1.40Å | 1.43Å | Aromatic |
| C63 | N70 | sing | 1.40Å | 1.51Å | |
| N70 | S71 | sing | 1.66Å | 1.72Å | |
| S71 | C72 | sing | 1.76Å | 1.85Å | |
| S71 | O73 | doub | 1.42Å | 1.46Å | |
| S71 | O74 | doub | 1.42Å | 1.47Å | |
| C72 | C75 | doub | 1.38Å | 1.40Å | Aromatic |
| C75 | C76 | sing | 1.38Å | 1.39Å | Aromatic |
| C76 | C77 | doub | 1.39Å | 1.39Å | Aromatic |
| C77 | C78 | sing | 1.39Å | 1.40Å | Aromatic |
| C78 | C79 | doub | 1.38Å | 1.40Å | Aromatic |
| C79 | C72 | sing | 1.38Å | 1.39Å | Aromatic |
| C77 | O80 | sing | 1.36Å | 1.40Å | |
| O80 | C81 | sing | 1.43Å | 1.40Å | |
| N70 | C82 | sing | 1.46Å | 1.46Å | |
| C82 | C83 | sing | 1.51Å | 1.53Å | |
| C83 | N84 | sing | 1.35Å | 1.46Å | |
| C83 | O85 | doub | 1.21Å | 1.21Å | |
| N57 | C86 | sing | 1.46Å | 1.46Å | |
| C86 | C87 | sing | 1.51Å | 1.53Å | |
| C87 | N88 | sing | 1.35Å | 1.46Å | |
| C87 | O89 | doub | 1.21Å | 1.18Å | |
| C38 | C39 | sing | 1.51Å | 1.54Å | |
| C21 | H211 | sing | 1.08Å | 1.08Å | |
| C22 | H221 | sing | 1.08Å | 1.08Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| C26 | H261 | sing | 1.08Å | 1.08Å | |
| C01 | H011 | sing | 1.08Å | 1.08Å | |
| C02 | H021 | sing | 1.08Å | 1.08Å | |
| C03 | H031 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C08 | H081 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C25 | H251 | sing | 1.08Å | 1.08Å | |
| C27 | H271 | sing | 1.08Å | 1.08Å | |
| C29 | H291 | sing | 1.08Å | 1.08Å | |
| C30 | H301 | sing | 1.08Å | 1.08Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C32 | H323 | sing | 1.09Å | 1.10Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C37 | H372 | sing | 1.09Å | 1.10Å | |
| C38 | H382 | sing | 1.09Å | 1.10Å | |
| C38 | H381 | sing | 1.09Å | 1.10Å | |
| C42 | H422 | sing | 1.09Å | 1.10Å | |
| C42 | H421 | sing | 1.09Å | 1.10Å | |
| C46 | H462 | sing | 1.09Å | 1.10Å | |
| C46 | H461 | sing | 1.09Å | 1.10Å | |
| C51 | H511 | sing | 1.08Å | 1.08Å | |
| C52 | H521 | sing | 1.08Å | 1.08Å | |
| C54 | H541 | sing | 1.08Å | 1.08Å | |
| C55 | H551 | sing | 1.08Å | 1.08Å | |
| C64 | H641 | sing | 1.08Å | 1.08Å | |
| C65 | H651 | sing | 1.08Å | 1.08Å | |
| C66 | H661 | sing | 1.08Å | 1.08Å | |
| C67 | H671 | sing | 1.08Å | 1.08Å | |
| C68 | H681 | sing | 1.08Å | 1.08Å | |
| C69 | H691 | sing | 1.08Å | 1.08Å | |
| C75 | H751 | sing | 1.08Å | 1.08Å | |
| C76 | H761 | sing | 1.08Å | 1.08Å | |
| C78 | H781 | sing | 1.08Å | 1.08Å | |
| C79 | H791 | sing | 1.08Å | 1.08Å | |
| C81 | H813 | sing | 1.09Å | 1.10Å | |
| C81 | H811 | sing | 1.09Å | 1.10Å | |
| C81 | H812 | sing | 1.09Å | 1.10Å | |
| C82 | H821 | sing | 1.09Å | 1.10Å | |
| C82 | H822 | sing | 1.09Å | 1.10Å | |
| C86 | H862 | sing | 1.09Å | 1.10Å | |
| C86 | H861 | sing | 1.09Å | 1.10Å | |
| N33 | H331 | sing | 0.97Å | 1.00Å | |
| N40 | H401 | sing | 0.97Å | 1.00Å | |
| N44 | H442 | sing | 0.97Å | 1.00Å | |
| N44 | H441 | sing | 0.97Å | 1.00Å | |
| N48 | H481 | sing | 0.97Å | 1.00Å | |
| N48 | H482 | sing | 0.97Å | 1.00Å | |
| N84 | H841 | sing | 0.97Å | 1.00Å | |
| N84 | H842 | sing | 0.97Å | 1.00Å | |
| N88 | H881 | sing | 0.97Å | 1.00Å | |
| N88 | H882 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C03 | 120.2° | 121.0° |
| C02 | C01 | C06 | 119.6° | 120.9° |
| C02 | C01 | H011 | 120.2° | 119.5° |
| C01 | C02 | H021 | 119.9° | 119.6° |
| C02 | C03 | C04 | 120.5° | 119.7° |
| C03 | C02 | H021 | 119.9° | 119.5° |
| C02 | C03 | H031 | 119.7° | 120.2° |
| C03 | C04 | C05 | 119.1° | 119.3° |
| C03 | C04 | C07 | 120.4° | 121.2° |
| C04 | C03 | H031 | 119.7° | 120.1° |
| C04 | C05 | C06 | 120.3° | 119.4° |
| C05 | C04 | C07 | 120.5° | 119.5° |
| C04 | C05 | C10 | 120.4° | 119.4° |
| C05 | C06 | C01 | 120.3° | 119.7° |
| C06 | C05 | C10 | 119.4° | 121.2° |
| C05 | C06 | H061 | 119.9° | 120.1° |
| C06 | C01 | H011 | 120.2° | 119.6° |
| C01 | C06 | H061 | 119.8° | 120.2° |
| C04 | C07 | C08 | 119.2° | 119.7° |
| C04 | C07 | N12 | 118.8° | 120.2° |
| C07 | C08 | C09 | 120.3° | 120.8° |
| C08 | C07 | N12 | 122.0° | 120.1° |
| C07 | C08 | H081 | 119.9° | 119.6° |
| C08 | C09 | C10 | 120.0° | 120.9° |
| C09 | C08 | H081 | 119.8° | 119.6° |
| C08 | C09 | H091 | 120.0° | 119.6° |
| C09 | C10 | C05 | 119.7° | 119.7° |
| C09 | C10 | N11 | 124.0° | 120.2° |
| C10 | C09 | H091 | 120.0° | 119.6° |
| C05 | C10 | N11 | 116.2° | 120.1° |
| C10 | N11 | S14 | 114.8° | 120.0° |
| C10 | N11 | C42 | 120.4° | 120.0° |
| C07 | N12 | S13 | 118.7° | 120.0° |
| C07 | N12 | C46 | 121.0° | 120.0° |
| N12 | S13 | C16 | 112.6° | 107.3° |
| N12 | S13 | O17 | 112.0° | 106.4° |
| N12 | S13 | O18 | 112.2° | 106.4° |
| S13 | N12 | C46 | 120.2° | 120.0° |
| N11 | S14 | C15 | 114.7° | 107.2° |
| N11 | S14 | O19 | 112.2° | 106.4° |
| N11 | S14 | O20 | 109.1° | 106.4° |
| S14 | N11 | C42 | 124.2° | 120.0° |
| C15 | S14 | O19 | 112.9° | 106.4° |
| C15 | S14 | O20 | 106.1° | 106.4° |
| S14 | C15 | C21 | 119.4° | 119.9° |
| S14 | C15 | C25 | 120.7° | 119.9° |
| C16 | S13 | O17 | 105.2° | 106.4° |
| C16 | S13 | O18 | 112.3° | 106.4° |
| S13 | C16 | C26 | 121.8° | 119.9° |
| S13 | C16 | C30 | 117.1° | 119.9° |
| O17 | S13 | O18 | 102.0° | 123.1° |
| O19 | S14 | O20 | 100.6° | 123.1° |
| C15 | C21 | C22 | 119.8° | 120.0° |
| C21 | C15 | C25 | 119.8° | 120.1° |
| C15 | C21 | H211 | 120.1° | 120.0° |
| C21 | C22 | C23 | 120.4° | 120.0° |
| C22 | C21 | H211 | 120.1° | 120.0° |
| C21 | C22 | H221 | 119.8° | 120.0° |
| C22 | C23 | C24 | 119.5° | 119.9° |
| C22 | C23 | O31 | 121.4° | 120.1° |
| C23 | C22 | H221 | 119.8° | 120.0° |
| C23 | C24 | C25 | 120.2° | 119.9° |
| C24 | C23 | O31 | 119.1° | 120.0° |
| C23 | C24 | H241 | 119.9° | 120.0° |
| C24 | C25 | C15 | 120.2° | 120.0° |
| C25 | C24 | H241 | 119.9° | 120.0° |
| C24 | C25 | H251 | 119.9° | 120.0° |
| C15 | C25 | H251 | 119.9° | 120.0° |
| C16 | C26 | C27 | 119.3° | 120.1° |
| C26 | C16 | C30 | 121.1° | 120.2° |
| C16 | C26 | H261 | 120.4° | 119.9° |
| C26 | C27 | C28 | 119.8° | 119.9° |
| C27 | C26 | H261 | 120.3° | 120.0° |
| C26 | C27 | H271 | 120.1° | 120.1° |
| C27 | C28 | C29 | 120.3° | 119.8° |
| C27 | C28 | N33 | 122.4° | 120.1° |
| C28 | C27 | H271 | 120.1° | 120.0° |
| C28 | C29 | C30 | 120.2° | 119.9° |
| C29 | C28 | N33 | 117.4° | 120.1° |
| C28 | C29 | H291 | 119.9° | 120.0° |
| C29 | C30 | C16 | 119.4° | 120.0° |
| C30 | C29 | H291 | 119.9° | 120.1° |
| C29 | C30 | H301 | 120.3° | 119.9° |
| C16 | C30 | H301 | 120.3° | 120.0° |
| C23 | O31 | C32 | 115.3° | 117.0° |
| O31 | C32 | H321 | 109.5° | 109.5° |
| O31 | C32 | H322 | 109.5° | 109.4° |
| O31 | C32 | H323 | 109.5° | 109.5° |
| C28 | N33 | C34 | 122.1° | 120.0° |
| C28 | N33 | H331 | 119.0° | 120.0° |
| N33 | C34 | C35 | 119.9° | 120.0° |
| N33 | C34 | O36 | 121.3° | 120.0° |
| C34 | N33 | H331 | 118.9° | 120.0° |
| C35 | C34 | O36 | 118.8° | 120.0° |
| C34 | C35 | C37 | 107.5° | 109.5° |
| C34 | C35 | H351 | 110.0° | 109.5° |
| C34 | C35 | H352 | 110.0° | 109.5° |
| C35 | C37 | C38 | 113.2° | 109.5° |
| C37 | C35 | H351 | 110.0° | 109.5° |
| C37 | C35 | H352 | 110.0° | 109.4° |
| C35 | C37 | H371 | 108.5° | 109.4° |
| C35 | C37 | H372 | 108.6° | 109.4° |
| C37 | C38 | C39 | 112.5° | 109.4° |
| C38 | C37 | H371 | 108.5° | 109.5° |
| C38 | C37 | H372 | 108.5° | 109.6° |
| C37 | C38 | H382 | 108.7° | 109.5° |
| C37 | C38 | H381 | 108.7° | 109.5° |
| C39 | N40 | C41 | 119.3° | 120.0° |
| N40 | C39 | O50 | 118.5° | 120.0° |
| N40 | C39 | C38 | 117.7° | 120.0° |
| C39 | N40 | H401 | 120.4° | 120.0° |
| N40 | C41 | C51 | 119.4° | 120.1° |
| N40 | C41 | C55 | 119.1° | 120.1° |
| C41 | N40 | H401 | 120.4° | 120.0° |
| N11 | C42 | C43 | 124.0° | 109.5° |
| N11 | C42 | H422 | 105.7° | 109.5° |
| N11 | C42 | H421 | 105.7° | 109.5° |
| C42 | C43 | N44 | 125.0° | 120.0° |
| C42 | C43 | O45 | 116.7° | 120.0° |
| C43 | C42 | H422 | 105.7° | 109.4° |
| C43 | C42 | H421 | 105.7° | 109.4° |
| N44 | C43 | O45 | 118.3° | 120.0° |
| C43 | N44 | H442 | 120.0° | 119.9° |
| C43 | N44 | H441 | 120.0° | 120.1° |
| N12 | C46 | C47 | 115.9° | 109.5° |
| N12 | C46 | H462 | 107.8° | 109.5° |
| N12 | C46 | H461 | 107.8° | 109.5° |
| C46 | C47 | N48 | 122.0° | 120.0° |
| C46 | C47 | O49 | 118.7° | 120.0° |
| C47 | C46 | H462 | 107.8° | 109.4° |
| C47 | C46 | H461 | 107.8° | 109.5° |
| N48 | C47 | O49 | 119.3° | 120.0° |
| C47 | N48 | H481 | 120.0° | 120.0° |
| C47 | N48 | H482 | 120.0° | 120.0° |
| O50 | C39 | C38 | 123.8° | 120.0° |
| C41 | C51 | C52 | 119.1° | 119.9° |
| C51 | C41 | C55 | 121.5° | 119.8° |
| C41 | C51 | H511 | 120.5° | 120.0° |
| C51 | C52 | C53 | 119.6° | 120.1° |
| C52 | C51 | H511 | 120.5° | 120.0° |
| C51 | C52 | H521 | 120.2° | 120.0° |
| C52 | C53 | C54 | 120.9° | 120.1° |
| C52 | C53 | S56 | 119.1° | 120.0° |
| C53 | C52 | H521 | 120.2° | 119.9° |
| C53 | C54 | C55 | 119.5° | 120.1° |
| C54 | C53 | S56 | 120.0° | 119.9° |
| C53 | C54 | H541 | 120.3° | 119.9° |
| C54 | C55 | C41 | 119.4° | 119.9° |
| C55 | C54 | H541 | 120.3° | 120.0° |
| C54 | C55 | H551 | 120.3° | 120.1° |
| C41 | C55 | H551 | 120.3° | 120.0° |
| C53 | S56 | N57 | 100.3° | 107.2° |
| C53 | S56 | O58 | 114.6° | 106.4° |
| C53 | S56 | O59 | 111.9° | 106.4° |
| N57 | S56 | O58 | 113.6° | 106.4° |
| N57 | S56 | O59 | 115.5° | 106.4° |
| S56 | N57 | C60 | 117.4° | 120.0° |
| S56 | N57 | C86 | 117.1° | 120.0° |
| O58 | S56 | O59 | 101.6° | 123.2° |
| N57 | C60 | C61 | 124.6° | 120.2° |
| N57 | C60 | C65 | 117.1° | 120.1° |
| C60 | N57 | C86 | 125.2° | 120.0° |
| C60 | C61 | C62 | 121.2° | 119.4° |
| C61 | C60 | C65 | 118.2° | 119.7° |
| C60 | C61 | C66 | 118.3° | 121.1° |
| C61 | C62 | C63 | 120.4° | 119.5° |
| C62 | C61 | C66 | 120.5° | 119.4° |
| C61 | C62 | C69 | 120.7° | 119.4° |
| C62 | C63 | C64 | 118.1° | 119.7° |
| C63 | C62 | C69 | 118.8° | 121.1° |
| C62 | C63 | N70 | 125.4° | 120.2° |
| C63 | C64 | C65 | 121.3° | 120.9° |
| C64 | C63 | N70 | 116.5° | 120.1° |
| C63 | C64 | H641 | 119.4° | 119.5° |
| C64 | C65 | C60 | 120.8° | 120.8° |
| C65 | C64 | H641 | 119.4° | 119.6° |
| C64 | C65 | H651 | 119.6° | 119.6° |
| C60 | C65 | H651 | 119.6° | 119.6° |
| C61 | C66 | C67 | 118.8° | 119.6° |
| C61 | C66 | H661 | 120.6° | 120.2° |
| C66 | C67 | C68 | 120.8° | 120.9° |
| C67 | C66 | H661 | 120.6° | 120.1° |
| C66 | C67 | H671 | 119.6° | 119.6° |
| C67 | C68 | C69 | 120.4° | 121.0° |
| C68 | C67 | H671 | 119.6° | 119.5° |
| C67 | C68 | H681 | 119.8° | 119.5° |
| C68 | C69 | C62 | 118.8° | 119.7° |
| C69 | C68 | H681 | 119.8° | 119.5° |
| C68 | C69 | H691 | 120.6° | 120.2° |
| C62 | C69 | H691 | 120.6° | 120.1° |
| C63 | N70 | S71 | 118.7° | 120.0° |
| C63 | N70 | C82 | 126.3° | 120.0° |
| N70 | S71 | C72 | 104.9° | 107.2° |
| N70 | S71 | O73 | 111.1° | 106.4° |
| N70 | S71 | O74 | 112.8° | 106.4° |
| S71 | N70 | C82 | 114.9° | 120.0° |
| C72 | S71 | O73 | 112.8° | 106.4° |
| C72 | S71 | O74 | 113.5° | 106.4° |
| S71 | C72 | C75 | 120.9° | 119.9° |
| S71 | C72 | C79 | 119.2° | 119.9° |
| O73 | S71 | O74 | 102.0° | 123.2° |
| C72 | C75 | C76 | 119.6° | 120.0° |
| C75 | C72 | C79 | 119.9° | 120.2° |
| C72 | C75 | H751 | 120.2° | 120.0° |
| C75 | C76 | C77 | 120.4° | 120.0° |
| C76 | C75 | H751 | 120.2° | 120.0° |
| C75 | C76 | H761 | 119.8° | 120.0° |
| C76 | C77 | C78 | 120.1° | 119.9° |
| C76 | C77 | O80 | 119.8° | 120.0° |
| C77 | C76 | H761 | 119.8° | 120.0° |
| C77 | C78 | C79 | 119.6° | 119.9° |
| C78 | C77 | O80 | 120.1° | 120.1° |
| C77 | C78 | H781 | 120.2° | 120.1° |
| C78 | C79 | C72 | 120.4° | 120.1° |
| C79 | C78 | H781 | 120.2° | 120.0° |
| C78 | C79 | H791 | 119.8° | 119.9° |
| C72 | C79 | H791 | 119.8° | 120.0° |
| C77 | O80 | C81 | 111.7° | 117.0° |
| O80 | C81 | H813 | 109.5° | 109.5° |
| O80 | C81 | H811 | 109.5° | 109.4° |
| O80 | C81 | H812 | 109.4° | 109.5° |
| N70 | C82 | C83 | 119.6° | 109.4° |
| N70 | C82 | H821 | 106.9° | 109.5° |
| N70 | C82 | H822 | 106.9° | 109.5° |
| C82 | C83 | N84 | 117.3° | 120.0° |
| C82 | C83 | O85 | 123.1° | 120.0° |
| C83 | C82 | H821 | 106.9° | 109.4° |
| C83 | C82 | H822 | 106.9° | 109.4° |
| N84 | C83 | O85 | 119.6° | 120.0° |
| C83 | N84 | H841 | 120.0° | 120.0° |
| C83 | N84 | H842 | 120.0° | 120.0° |
| N57 | C86 | C87 | 115.2° | 109.5° |
| N57 | C86 | H862 | 108.0° | 109.5° |
| N57 | C86 | H861 | 108.0° | 109.5° |
| C86 | C87 | N88 | 117.1° | 120.0° |
| C86 | C87 | O89 | 121.8° | 120.0° |
| C87 | C86 | H862 | 108.0° | 109.5° |
| C87 | C86 | H861 | 108.0° | 109.5° |
| N88 | C87 | O89 | 121.1° | 120.0° |
| C87 | N88 | H881 | 120.0° | 120.0° |
| C87 | N88 | H882 | 120.0° | 120.0° |
| C39 | C38 | H382 | 108.7° | 109.5° |
| C39 | C38 | H381 | 108.7° | 109.4° |
| H321 | C32 | H322 | 109.5° | 109.5° |
| H321 | C32 | H323 | 109.4° | 109.5° |
| H322 | C32 | H323 | 109.5° | 109.5° |
| H351 | C35 | H352 | 109.5° | 109.4° |
| H371 | C37 | H372 | 109.5° | 109.5° |
| H382 | C38 | H381 | 109.5° | 109.6° |
| H422 | C42 | H421 | 109.5° | 109.5° |
| H462 | C46 | H461 | 109.5° | 109.5° |
| H813 | C81 | H811 | 109.5° | 109.5° |
| H813 | C81 | H812 | 109.5° | 109.5° |
| H811 | C81 | H812 | 109.5° | 109.5° |
| H821 | C82 | H822 | 109.4° | 109.5° |
| H862 | C86 | H861 | 109.5° | 109.5° |
| H442 | N44 | H441 | 120.0° | 120.0° |
| H481 | N48 | H482 | 120.0° | 120.0° |
| H841 | N84 | H842 | 120.0° | 120.0° |
| H881 | N88 | H882 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C03 | H021 | 180.0° | 179.5° |
| C01 | C02 | C03 | C04 | 0.4° | 0.5° |
| C02 | C01 | C06 | C05 | 0.0° | 0.3° |
| C02 | C01 | C06 | H011 | 180.0° | 180.0° |
| C01 | C02 | C03 | H031 | 179.6° | 179.7° |
| C02 | C01 | C06 | H061 | 179.9° | 180.0° |
| C02 | C03 | C04 | H031 | 180.0° | 179.8° |
| C02 | C03 | C04 | C05 | 0.3° | 0.3° |
| C03 | C02 | C01 | C06 | 0.3° | 0.6° |
| C02 | C03 | C04 | C07 | 179.7° | 179.7° |
| C03 | C02 | C01 | H011 | 179.7° | 179.4° |
| C03 | C04 | C05 | C07 | 180.0° | 180.0° |
| C03 | C04 | C05 | C06 | 0.0° | 0.0° |
| C03 | C04 | C07 | C08 | 179.6° | 180.0° |
| C03 | C04 | C05 | C10 | 179.7° | 180.0° |
| C03 | C04 | C07 | N12 | 0.8° | 0.0° |
| C04 | C03 | C02 | H021 | 179.6° | 180.0° |
| C04 | C05 | C06 | C10 | 179.7° | 179.9° |
| C04 | C05 | C06 | C01 | 0.2° | 0.0° |
| C05 | C04 | C07 | C08 | 0.3° | 0.0° |
| C04 | C05 | C10 | C09 | 1.2° | 0.0° |
| C04 | C05 | C10 | N11 | 178.4° | 180.0° |
| C05 | C04 | C07 | N12 | 179.2° | 180.0° |
| C05 | C04 | C03 | H031 | 179.7° | 180.0° |
| C04 | C05 | C06 | H061 | 179.8° | 179.8° |
| C05 | C06 | C01 | H061 | 180.0° | 179.7° |
| C06 | C05 | C04 | C07 | 179.9° | 180.0° |
| C06 | C05 | C10 | C09 | 179.1° | 180.0° |
| C06 | C05 | C10 | N11 | 1.9° | 0.1° |
| C05 | C06 | C01 | H011 | 180.0° | 179.7° |
| C01 | C06 | C05 | C10 | 179.5° | 180.0° |
| C06 | C01 | C02 | H021 | 179.7° | 180.0° |
| C04 | C07 | C08 | N12 | 178.8° | 180.0° |
| C04 | C07 | C08 | C09 | 0.1° | 0.0° |
| C07 | C04 | C05 | C10 | 0.4° | 0.0° |
| C04 | C07 | N12 | S13 | 97.6° | 85.0° |
| C04 | C07 | N12 | C46 | 77.3° | 95.0° |
| C07 | C04 | C03 | H031 | 0.2° | 0.0° |
| C04 | C07 | C08 | H081 | 179.8° | 180.0° |
| C07 | C08 | C09 | H081 | 180.0° | 180.0° |
| C07 | C08 | C09 | C10 | 0.7° | 0.0° |
| C08 | C07 | N12 | S13 | 81.2° | 95.1° |
| C08 | C07 | N12 | C46 | 103.8° | 85.0° |
| C07 | C08 | C09 | H091 | 179.3° | 180.0° |
| C08 | C09 | C10 | H091 | 180.0° | 180.0° |
| C08 | C09 | C10 | C05 | 1.4° | 0.0° |
| C08 | C09 | C10 | N11 | 178.3° | 179.9° |
| C09 | C08 | C07 | N12 | 179.0° | 180.0° |
| C09 | C10 | C05 | N11 | 177.2° | 179.9° |
| C09 | C10 | N11 | S14 | 78.7° | 93.3° |
| C09 | C10 | N11 | C42 | 110.0° | 86.8° |
| C10 | C09 | C08 | H081 | 179.3° | 180.0° |
| C05 | C10 | N11 | S14 | 98.4° | 86.8° |
| C05 | C10 | N11 | C42 | 73.0° | 93.2° |
| C10 | C05 | C06 | H061 | 0.5° | 0.3° |
| C05 | C10 | C09 | H091 | 178.6° | 180.0° |
| C10 | N11 | S14 | C42 | 171.0° | 180.0° |
| C10 | N11 | S14 | C15 | 67.6° | 90.0° |
| C10 | N11 | S14 | O19 | 161.8° | 156.4° |
| C10 | N11 | S14 | O20 | 51.2° | 23.5° |
| C10 | N11 | C42 | C43 | 104.5° | 83.9° |
| N11 | C10 | C09 | H091 | 1.7° | 0.0° |
| C10 | N11 | C42 | H422 | 17.5° | 36.1° |
| C10 | N11 | C42 | H421 | 133.5° | 156.2° |
| C07 | N12 | S13 | C46 | 175.0° | 179.9° |
| C07 | N12 | S13 | C16 | 63.5° | 90.0° |
| C07 | N12 | S13 | O17 | 54.8° | 156.5° |
| C07 | N12 | S13 | O18 | 168.7° | 23.6° |
| C07 | N12 | C46 | C47 | 58.5° | 85.1° |
| N12 | C07 | C08 | H081 | 1.0° | 0.0° |
| C07 | N12 | C46 | H462 | 179.4° | 155.0° |
| C07 | N12 | C46 | H461 | 62.5° | 35.0° |
| N12 | S13 | C16 | O17 | 122.2° | 113.5° |
| N12 | S13 | C16 | O18 | 127.7° | 113.5° |
| N12 | S13 | O17 | O18 | 120.1° | 122.9° |
| N12 | S13 | C16 | C26 | 83.2° | 90.0° |
| N12 | S13 | C16 | C30 | 96.9° | 89.7° |
| S13 | N12 | C46 | C47 | 126.6° | 95.0° |
| S13 | N12 | C46 | H462 | 5.7° | 24.9° |
| S13 | N12 | C46 | H461 | 112.4° | 145.0° |
| N11 | S14 | C15 | O19 | 130.3° | 113.6° |
| N11 | S14 | C15 | O20 | 120.5° | 113.5° |
| N11 | S14 | O19 | O20 | 115.9° | 123.0° |
| N11 | S14 | C15 | C21 | 103.5° | 90.0° |
| N11 | S14 | C15 | C25 | 77.4° | 89.7° |
| S14 | N11 | C42 | C43 | 85.0° | 96.1° |
| S14 | N11 | C42 | H422 | 153.0° | 143.9° |
| S14 | N11 | C42 | H421 | 37.0° | 23.8° |
| C15 | S14 | O19 | O20 | 112.6° | 122.9° |
| S14 | C15 | C21 | C25 | 179.0° | 179.8° |
| S14 | C15 | C21 | C22 | 179.9° | 179.8° |
| S14 | C15 | C25 | C24 | 179.9° | 179.8° |
| C15 | S14 | N11 | C42 | 121.4° | 90.0° |
| S14 | C15 | C21 | H211 | 0.1° | 0.2° |
| S14 | C15 | C25 | H251 | 0.1° | 0.3° |
| C16 | S13 | O17 | O18 | 117.3° | 123.0° |
| S13 | C16 | C26 | C30 | 179.9° | 179.7° |
| S13 | C16 | C26 | C27 | 179.5° | 179.7° |
| S13 | C16 | C30 | C29 | 179.4° | 179.7° |
| C16 | S13 | N12 | C46 | 121.5° | 90.0° |
| S13 | C16 | C26 | H261 | 0.5° | 0.3° |
| S13 | C16 | C30 | H301 | 0.6° | 0.3° |
| O17 | S13 | C16 | C26 | 154.6° | 156.5° |
| O17 | S13 | C16 | C30 | 25.3° | 23.8° |
| O17 | S13 | N12 | C46 | 120.2° | 23.6° |
| O18 | S13 | C16 | C26 | 44.5° | 23.5° |
| O18 | S13 | C16 | C30 | 135.3° | 156.7° |
| O18 | S13 | N12 | C46 | 6.3° | 156.5° |
| O19 | S14 | C15 | C21 | 126.2° | 23.5° |
| O19 | S14 | C15 | C25 | 52.8° | 156.7° |
| O19 | S14 | N11 | C42 | 9.3° | 23.6° |
| O20 | S14 | C15 | C21 | 17.0° | 156.4° |
| O20 | S14 | C15 | C25 | 162.0° | 23.8° |
| O20 | S14 | N11 | C42 | 119.8° | 156.5° |
| C15 | C21 | C22 | H211 | 180.0° | 180.0° |
| C15 | C21 | C22 | C23 | 0.3° | 0.0° |
| C21 | C15 | C25 | C24 | 0.9° | 0.0° |
| C15 | C21 | C22 | H221 | 179.7° | 180.0° |
| C21 | C15 | C25 | H251 | 179.1° | 180.0° |
| C21 | C22 | C23 | H221 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 0.2° | 0.0° |
| C22 | C21 | C15 | C25 | 0.8° | 0.0° |
| C21 | C22 | C23 | O31 | 179.5° | 180.0° |
| C22 | C23 | C24 | O31 | 179.3° | 180.0° |
| C22 | C23 | C24 | C25 | 0.2° | 0.0° |
| C22 | C23 | O31 | C32 | 75.4° | 180.0° |
| C23 | C22 | C21 | H211 | 179.7° | 180.0° |
| C22 | C23 | C24 | H241 | 179.8° | 180.0° |
| C23 | C24 | C25 | H241 | 180.0° | 180.0° |
| C23 | C24 | C25 | C15 | 0.3° | 0.0° |
| C24 | C23 | O31 | C32 | 105.3° | 0.0° |
| C24 | C23 | C22 | H221 | 179.8° | 180.0° |
| C23 | C24 | C25 | H251 | 179.7° | 180.0° |
| C24 | C25 | C15 | H251 | 180.0° | 180.0° |
| C25 | C24 | C23 | O31 | 179.5° | 180.0° |
| C25 | C15 | C21 | H211 | 179.1° | 180.0° |
| C15 | C25 | C24 | H241 | 179.7° | 180.0° |
| C16 | C26 | C27 | H261 | 180.0° | 180.0° |
| C16 | C26 | C27 | C28 | 0.5° | 0.0° |
| C26 | C16 | C30 | C29 | 0.7° | 0.0° |
| C16 | C26 | C27 | H271 | 179.5° | 180.0° |
| C26 | C16 | C30 | H301 | 179.3° | 180.0° |
| C26 | C27 | C28 | H271 | 180.0° | 180.0° |
| C26 | C27 | C28 | C29 | 0.4° | 0.0° |
| C27 | C26 | C16 | C30 | 0.7° | 0.0° |
| C26 | C27 | C28 | N33 | 179.7° | 180.0° |
| C27 | C28 | C29 | N33 | 179.3° | 180.0° |
| C27 | C28 | C29 | C30 | 0.5° | 0.1° |
| C27 | C28 | N33 | C34 | 13.5° | 144.7° |
| C28 | C27 | C26 | H261 | 179.5° | 180.0° |
| C27 | C28 | C29 | H291 | 179.5° | 179.9° |
| C27 | C28 | N33 | H331 | 166.5° | 35.3° |
| C28 | C29 | C30 | H291 | 180.0° | 179.9° |
| C28 | C29 | C30 | C16 | 0.6° | 0.1° |
| C29 | C28 | N33 | C34 | 167.2° | 35.3° |
| C29 | C28 | C27 | H271 | 179.6° | 180.0° |
| C28 | C29 | C30 | H301 | 179.4° | 180.0° |
| C29 | C28 | N33 | H331 | 12.8° | 144.7° |
| C29 | C30 | C16 | H301 | 180.0° | 179.9° |
| C30 | C29 | C28 | N33 | 179.8° | 180.0° |
| C30 | C16 | C26 | H261 | 179.4° | 180.0° |
| C16 | C30 | C29 | H291 | 179.4° | 179.9° |
| O31 | C23 | C22 | H221 | 0.5° | 0.0° |
| O31 | C23 | C24 | H241 | 0.5° | 0.0° |
| C23 | O31 | C32 | H321 | 180.0° | 60.0° |
| C23 | O31 | C32 | H322 | 60.0° | 180.0° |
| C23 | O31 | C32 | H323 | 60.0° | 60.1° |
| O31 | C32 | H321 | H322 | 120.0° | 120.0° |
| O31 | C32 | H321 | H323 | 120.0° | 120.0° |
| O31 | C32 | H322 | H323 | 120.0° | 120.0° |
| C28 | N33 | C34 | H331 | 180.0° | 180.0° |
| C28 | N33 | C34 | C35 | 179.8° | 175.3° |
| C28 | N33 | C34 | O36 | 0.9° | 4.9° |
| N33 | C28 | C27 | H271 | 0.3° | 0.0° |
| N33 | C28 | C29 | H291 | 0.2° | 0.1° |
| N33 | C34 | C35 | O36 | 178.9° | 179.8° |
| N33 | C34 | C35 | C37 | 143.3° | 179.8° |
| N33 | C34 | C35 | H351 | 97.0° | 60.2° |
| N33 | C34 | C35 | H352 | 23.6° | 59.8° |
| C34 | C35 | C37 | H351 | 119.7° | 120.1° |
| C34 | C35 | C37 | H352 | 119.7° | 120.0° |
| C34 | C35 | C37 | C38 | 178.4° | 180.0° |
| C34 | C35 | H351 | H352 | 120.9° | 120.0° |
| C34 | C35 | C37 | H371 | 57.9° | 60.0° |
| C34 | C35 | C37 | H372 | 61.0° | 60.0° |
| C35 | C34 | N33 | H331 | 0.2° | 4.7° |
| O36 | C34 | C35 | C37 | 35.6° | 0.1° |
| O36 | C34 | C35 | H351 | 84.1° | 120.0° |
| O36 | C34 | C35 | H352 | 155.3° | 120.1° |
| O36 | C34 | N33 | H331 | 179.0° | 175.1° |
| C35 | C37 | C38 | H371 | 120.5° | 119.9° |
| C35 | C37 | C38 | H372 | 120.6° | 120.0° |
| C35 | C37 | C38 | C39 | 56.7° | 180.0° |
| C37 | C35 | H351 | H352 | 120.9° | 119.9° |
| C35 | C37 | H371 | H372 | 118.3° | 119.9° |
| C35 | C37 | C38 | H382 | 63.8° | 60.0° |
| C35 | C37 | C38 | H381 | 177.1° | 60.1° |
| C37 | C38 | C39 | N40 | 177.7° | 180.0° |
| C37 | C38 | C39 | O50 | 2.5° | 0.1° |
| C37 | C38 | C39 | H382 | 120.5° | 120.0° |
| C37 | C38 | C39 | H381 | 120.4° | 119.9° |
| C38 | C37 | C35 | H351 | 61.9° | 60.0° |
| C38 | C37 | C35 | H352 | 58.8° | 59.9° |
| C38 | C37 | H371 | H372 | 118.3° | 120.1° |
| C37 | C38 | H382 | H381 | 118.6° | 120.1° |
| C39 | N40 | C41 | H401 | 180.0° | 179.9° |
| N40 | C39 | O50 | C38 | 179.9° | 179.9° |
| C39 | N40 | C41 | C51 | 82.6° | 33.9° |
| C39 | N40 | C41 | C55 | 98.1° | 146.1° |
| N40 | C39 | C38 | H382 | 61.9° | 60.0° |
| N40 | C39 | C38 | H381 | 57.2° | 60.1° |
| C41 | N40 | C39 | O50 | 0.2° | 5.6° |
| N40 | C41 | C51 | C55 | 179.3° | 180.0° |
| N40 | C41 | C51 | C52 | 179.1° | 180.0° |
| N40 | C41 | C55 | C54 | 179.2° | 180.0° |
| C41 | N40 | C39 | C38 | 179.7° | 174.5° |
| N40 | C41 | C51 | H511 | 0.8° | 0.1° |
| N40 | C41 | C55 | H551 | 0.7° | 0.0° |
| N11 | C42 | C43 | H422 | 122.0° | 120.1° |
| N11 | C42 | C43 | H421 | 122.0° | 120.0° |
| N11 | C42 | C43 | N44 | 1.0° | 174.1° |
| N11 | C42 | C43 | O45 | 179.3° | 5.8° |
| N11 | C42 | H422 | H421 | 113.5° | 120.1° |
| C42 | C43 | N44 | O45 | 179.7° | 179.9° |
| C43 | C42 | H422 | H421 | 113.5° | 119.9° |
| C42 | C43 | N44 | H442 | 179.7° | 0.1° |
| C42 | C43 | N44 | H441 | 0.3° | 180.0° |
| N44 | C43 | C42 | H422 | 123.0° | 54.0° |
| N44 | C43 | C42 | H421 | 121.0° | 65.9° |
| C43 | N44 | H442 | H441 | 180.0° | 180.0° |
| O45 | C43 | C42 | H422 | 57.3° | 125.9° |
| O45 | C43 | C42 | H421 | 58.7° | 114.2° |
| O45 | C43 | N44 | H442 | 0.0° | 180.0° |
| O45 | C43 | N44 | H441 | 180.0° | 0.1° |
| N12 | C46 | C47 | H462 | 120.9° | 120.0° |
| N12 | C46 | C47 | H461 | 121.0° | 120.0° |
| N12 | C46 | C47 | N48 | 47.4° | 180.0° |
| N12 | C46 | C47 | O49 | 133.9° | 0.0° |
| N12 | C46 | H462 | H461 | 117.1° | 120.0° |
| C46 | C47 | N48 | O49 | 178.7° | 180.0° |
| C47 | C46 | H462 | H461 | 117.1° | 120.0° |
| C46 | C47 | N48 | H481 | 178.7° | 0.0° |
| C46 | C47 | N48 | H482 | 1.3° | 180.0° |
| N48 | C47 | C46 | H462 | 168.3° | 60.0° |
| N48 | C47 | C46 | H461 | 73.6° | 60.0° |
| C47 | N48 | H481 | H482 | 180.0° | 180.0° |
| O49 | C47 | C46 | H462 | 13.0° | 120.0° |
| O49 | C47 | C46 | H461 | 105.1° | 120.0° |
| O49 | C47 | N48 | H481 | 0.0° | 180.0° |
| O49 | C47 | N48 | H482 | 180.0° | 0.0° |
| O50 | C39 | C38 | H382 | 118.0° | 119.9° |
| O50 | C39 | C38 | H381 | 122.9° | 120.0° |
| O50 | C39 | N40 | H401 | 179.8° | 174.4° |
| C41 | C51 | C52 | H511 | 180.0° | 179.9° |
| C41 | C51 | C52 | C53 | 0.5° | 0.0° |
| C51 | C41 | C55 | C54 | 0.1° | 0.0° |
| C41 | C51 | C52 | H521 | 179.5° | 180.0° |
| C51 | C41 | C55 | H551 | 180.0° | 180.0° |
| C51 | C41 | N40 | H401 | 97.4° | 146.0° |
| C51 | C52 | C53 | H521 | 180.0° | 179.9° |
| C51 | C52 | C53 | C54 | 1.3° | 0.0° |
| C52 | C51 | C41 | C55 | 0.2° | 0.1° |
| C51 | C52 | C53 | S56 | 179.5° | 179.7° |
| C52 | C53 | C54 | S56 | 178.2° | 179.7° |
| C52 | C53 | C54 | C55 | 1.4° | 0.0° |
| C52 | C53 | S56 | N57 | 78.9° | 89.7° |
| C52 | C53 | S56 | O58 | 159.1° | 156.7° |
| C52 | C53 | S56 | O59 | 44.1° | 23.8° |
| C53 | C52 | C51 | H511 | 179.5° | 179.9° |
| C52 | C53 | C54 | H541 | 178.6° | 179.7° |
| C53 | C54 | C55 | H541 | 180.0° | 179.8° |
| C53 | C54 | C55 | C41 | 0.7° | 0.0° |
| C54 | C53 | S56 | N57 | 99.4° | 90.0° |
| C54 | C53 | S56 | O58 | 22.7° | 23.6° |
| C54 | C53 | S56 | O59 | 137.7° | 156.5° |
| C54 | C53 | C52 | H521 | 178.8° | 179.9° |
| C53 | C54 | C55 | H551 | 179.3° | 180.0° |
| C54 | C55 | C41 | H551 | 180.0° | 180.0° |
| C55 | C54 | C53 | S56 | 179.6° | 179.7° |
| C55 | C41 | C51 | H511 | 179.8° | 180.0° |
| C41 | C55 | C54 | H541 | 179.3° | 179.7° |
| C55 | C41 | N40 | H401 | 81.9° | 34.0° |
| C53 | S56 | N57 | O58 | 122.7° | 113.6° |
| C53 | S56 | N57 | O59 | 120.4° | 113.5° |
| C53 | S56 | O58 | O59 | 120.8° | 123.0° |
| C53 | S56 | N57 | C60 | 74.0° | 89.9° |
| C53 | S56 | N57 | C86 | 99.8° | 90.0° |
| S56 | C53 | C52 | H521 | 0.5° | 0.2° |
| S56 | C53 | C54 | H541 | 0.5° | 0.0° |
| N57 | S56 | O58 | O59 | 124.7° | 122.9° |
| S56 | N57 | C60 | C86 | 173.3° | 179.9° |
| S56 | N57 | C60 | C61 | 74.7° | 86.6° |
| S56 | N57 | C60 | C65 | 102.6° | 93.5° |
| S56 | N57 | C86 | C87 | 133.4° | 94.1° |
| S56 | N57 | C86 | H862 | 105.7° | 145.9° |
| S56 | N57 | C86 | H861 | 12.6° | 25.9° |
| O58 | S56 | N57 | C60 | 163.3° | 156.5° |
| O58 | S56 | N57 | C86 | 22.9° | 23.6° |
| O59 | S56 | N57 | C60 | 46.4° | 23.6° |
| O59 | S56 | N57 | C86 | 139.7° | 156.5° |
| N57 | C60 | C61 | C65 | 177.2° | 179.9° |
| N57 | C60 | C61 | C62 | 178.8° | 180.0° |
| N57 | C60 | C65 | C64 | 178.9° | 179.9° |
| N57 | C60 | C61 | C66 | 2.1° | 0.1° |
| C60 | N57 | C86 | C87 | 53.2° | 85.9° |
| N57 | C60 | C65 | H651 | 1.1° | 0.1° |
| C60 | N57 | C86 | H862 | 67.6° | 34.1° |
| C60 | N57 | C86 | H861 | 174.1° | 154.1° |
| C60 | C61 | C62 | C66 | 179.1° | 180.0° |
| C60 | C61 | C62 | C63 | 0.2° | 0.1° |
| C61 | C60 | C65 | C64 | 1.5° | 0.0° |
| C60 | C61 | C66 | C67 | 179.2° | 179.4° |
| C60 | C61 | C62 | C69 | 179.2° | 180.0° |
| C61 | C60 | N57 | C86 | 112.0° | 93.3° |
| C61 | C60 | C65 | H651 | 178.5° | 180.0° |
| C60 | C61 | C66 | H661 | 0.8° | 0.0° |
| C61 | C62 | C63 | C69 | 179.4° | 180.0° |
| C61 | C62 | C63 | C64 | 1.2° | 0.0° |
| C62 | C61 | C60 | C65 | 1.6° | 0.1° |
| C62 | C61 | C66 | C67 | 0.1° | 0.6° |
| C61 | C62 | C69 | C68 | 0.0° | 0.3° |
| C61 | C62 | C63 | N70 | 179.3° | 180.0° |
| C62 | C61 | C66 | H661 | 179.9° | 180.0° |
| C61 | C62 | C69 | H691 | 180.0° | 180.0° |
| C62 | C63 | C64 | N70 | 178.2° | 180.0° |
| C62 | C63 | C64 | C65 | 1.3° | 0.1° |
| C63 | C62 | C61 | C66 | 179.3° | 180.0° |
| C63 | C62 | C69 | C68 | 179.4° | 179.7° |
| C62 | C63 | N70 | S71 | 79.6° | 86.2° |
| C62 | C63 | N70 | C82 | 105.5° | 93.7° |
| C62 | C63 | C64 | H641 | 178.6° | 180.0° |
| C63 | C62 | C69 | H691 | 0.6° | 0.0° |
| C63 | C64 | C65 | H641 | 180.0° | 179.9° |
| C63 | C64 | C65 | C60 | 0.0° | 0.1° |
| C64 | C63 | C62 | C69 | 179.3° | 180.0° |
| C64 | C63 | N70 | S71 | 98.5° | 93.7° |
| C64 | C63 | N70 | C82 | 76.4° | 86.3° |
| C63 | C64 | C65 | H651 | 180.0° | 179.9° |
| C64 | C65 | C60 | H651 | 180.0° | 180.0° |
| C65 | C64 | C63 | N70 | 179.5° | 179.9° |
| C65 | C60 | C61 | C66 | 179.3° | 180.0° |
| C65 | C60 | N57 | C86 | 70.7° | 86.6° |
| C60 | C65 | C64 | H641 | 180.0° | 180.0° |
| C61 | C66 | C67 | H661 | 180.0° | 179.4° |
| C61 | C66 | C67 | C68 | 0.0° | 0.9° |
| C66 | C61 | C62 | C69 | 0.1° | 0.0° |
| C61 | C66 | C67 | H671 | 180.0° | 180.0° |
| C66 | C67 | C68 | H671 | 180.0° | 179.1° |
| C66 | C67 | C68 | C69 | 0.1° | 0.6° |
| C66 | C67 | C68 | H681 | 179.8° | 179.4° |
| C67 | C68 | C69 | H681 | 180.0° | 180.0° |
| C67 | C68 | C69 | C62 | 0.1° | 0.0° |
| C68 | C67 | C66 | H661 | 180.0° | 179.7° |
| C67 | C68 | C69 | H691 | 179.8° | 179.8° |
| C68 | C69 | C62 | H691 | 180.0° | 179.7° |
| C69 | C68 | C67 | H671 | 179.8° | 179.7° |
| C69 | C62 | C63 | N70 | 1.3° | 0.0° |
| C62 | C69 | C68 | H681 | 179.8° | 180.0° |
| C63 | N70 | S71 | C82 | 175.5° | 180.0° |
| C63 | N70 | S71 | C72 | 84.4° | 90.0° |
| C63 | N70 | S71 | O73 | 153.5° | 23.6° |
| C63 | N70 | S71 | O74 | 39.6° | 156.5° |
| C63 | N70 | C82 | C83 | 4.1° | 85.6° |
| N70 | C63 | C64 | H641 | 0.4° | 0.0° |
| C63 | N70 | C82 | H821 | 125.5° | 154.5° |
| C63 | N70 | C82 | H822 | 117.4° | 34.4° |
| N70 | S71 | C72 | O73 | 121.0° | 113.5° |
| N70 | S71 | C72 | O74 | 123.6° | 113.5° |
| N70 | S71 | O73 | O74 | 120.4° | 123.0° |
| N70 | S71 | C72 | C75 | 126.7° | 90.0° |
| N70 | S71 | C72 | C79 | 52.1° | 90.3° |
| S71 | N70 | C82 | C83 | 179.1° | 94.4° |
| S71 | N70 | C82 | H821 | 59.4° | 25.5° |
| S71 | N70 | C82 | H822 | 57.7° | 145.6° |
| C72 | S71 | O73 | O74 | 122.1° | 122.9° |
| S71 | C72 | C75 | C79 | 178.8° | 179.7° |
| S71 | C72 | C75 | C76 | 179.6° | 179.8° |
| S71 | C72 | C79 | C78 | 179.7° | 179.7° |
| C72 | S71 | N70 | C82 | 91.1° | 90.0° |
| S71 | C72 | C75 | H751 | 0.4° | 0.3° |
| S71 | C72 | C79 | H791 | 0.3° | 0.2° |
| O73 | S71 | C72 | C75 | 112.3° | 156.5° |
| O73 | S71 | C72 | C79 | 68.9° | 23.3° |
| O73 | S71 | N70 | C82 | 31.1° | 156.5° |
| O74 | S71 | C72 | C75 | 3.1° | 23.5° |
| O74 | S71 | C72 | C79 | 175.7° | 156.2° |
| O74 | S71 | N70 | C82 | 144.9° | 23.5° |
| C72 | C75 | C76 | H751 | 180.0° | 179.9° |
| C72 | C75 | C76 | C77 | 0.5° | 0.1° |
| C75 | C72 | C79 | C78 | 0.8° | 0.1° |
| C72 | C75 | C76 | H761 | 179.5° | 180.0° |
| C75 | C72 | C79 | H791 | 179.2° | 179.9° |
| C75 | C76 | C77 | H761 | 180.0° | 179.9° |
| C75 | C76 | C77 | C78 | 0.3° | 0.1° |
| C76 | C75 | C72 | C79 | 0.8° | 0.0° |
| C75 | C76 | C77 | O80 | 179.7° | 180.0° |
| C76 | C77 | C78 | O80 | 179.4° | 179.9° |
| C76 | C77 | C78 | C79 | 0.3° | 0.0° |
| C76 | C77 | O80 | C81 | 55.5° | 180.0° |
| C77 | C76 | C75 | H751 | 179.5° | 180.0° |
| C76 | C77 | C78 | H781 | 179.7° | 180.0° |
| C77 | C78 | C79 | H781 | 180.0° | 180.0° |
| C77 | C78 | C79 | C72 | 0.6° | 0.1° |
| C78 | C77 | O80 | C81 | 124.0° | 0.0° |
| C78 | C77 | C76 | H761 | 179.7° | 180.0° |
| C77 | C78 | C79 | H791 | 179.4° | 179.9° |
| C78 | C79 | C72 | H791 | 180.0° | 179.9° |
| C79 | C78 | C77 | O80 | 179.8° | 179.9° |
| C79 | C72 | C75 | H751 | 179.2° | 179.9° |
| C72 | C79 | C78 | H781 | 179.4° | 179.9° |
| O80 | C77 | C76 | H761 | 0.3° | 0.1° |
| O80 | C77 | C78 | H781 | 0.2° | 0.1° |
| C77 | O80 | C81 | H813 | 180.0° | 180.0° |
| C77 | O80 | C81 | H811 | 60.0° | 60.0° |
| C77 | O80 | C81 | H812 | 60.0° | 60.0° |
| O80 | C81 | H813 | H811 | 120.0° | 120.0° |
| O80 | C81 | H813 | H812 | 120.0° | 120.0° |
| O80 | C81 | H811 | H812 | 120.0° | 120.0° |
| N70 | C82 | C83 | H821 | 121.5° | 120.0° |
| N70 | C82 | C83 | H822 | 121.5° | 120.0° |
| N70 | C82 | C83 | N84 | 126.3° | 174.4° |
| N70 | C82 | C83 | O85 | 53.6° | 5.5° |
| N70 | C82 | H821 | H822 | 115.4° | 120.1° |
| C82 | C83 | N84 | O85 | 179.9° | 179.9° |
| C83 | C82 | H821 | H822 | 115.4° | 120.0° |
| C82 | C83 | N84 | H841 | 179.9° | 0.0° |
| C82 | C83 | N84 | H842 | 0.1° | 180.0° |
| N84 | C83 | C82 | H821 | 4.8° | 65.6° |
| N84 | C83 | C82 | H822 | 112.2° | 54.4° |
| C83 | N84 | H841 | H842 | 180.0° | 179.9° |
| O85 | C83 | C82 | H821 | 175.0° | 114.5° |
| O85 | C83 | C82 | H822 | 67.9° | 125.5° |
| O85 | C83 | N84 | H841 | 0.0° | 179.9° |
| O85 | C83 | N84 | H842 | 180.0° | 0.1° |
| N57 | C86 | C87 | H862 | 120.8° | 120.0° |
| N57 | C86 | C87 | H861 | 120.8° | 120.0° |
| N57 | C86 | C87 | N88 | 119.1° | 175.7° |
| N57 | C86 | C87 | O89 | 62.3° | 4.3° |
| N57 | C86 | H862 | H861 | 117.4° | 120.0° |
| C86 | C87 | N88 | O89 | 178.6° | 180.0° |
| C87 | C86 | H862 | H861 | 117.4° | 120.0° |
| C86 | C87 | N88 | H881 | 178.6° | 0.0° |
| C86 | C87 | N88 | H882 | 1.4° | 180.0° |
| N88 | C87 | C86 | H862 | 120.1° | 64.3° |
| N88 | C87 | C86 | H861 | 1.7° | 55.7° |
| C87 | N88 | H881 | H882 | 180.0° | 180.0° |
| O89 | C87 | C86 | H862 | 58.5° | 115.7° |
| O89 | C87 | C86 | H861 | 176.8° | 124.3° |
| O89 | C87 | N88 | H881 | 0.0° | 180.0° |
| O89 | C87 | N88 | H882 | 180.0° | 0.1° |
| C39 | C38 | C37 | H371 | 177.2° | 60.1° |
| C39 | C38 | C37 | H372 | 63.9° | 60.0° |
| C39 | C38 | H382 | H381 | 118.6° | 120.0° |
| C38 | C39 | N40 | H401 | 0.3° | 5.5° |
| H211 | C21 | C22 | H221 | 0.3° | 0.0° |
| H241 | C24 | C25 | H251 | 0.3° | 0.0° |
| H261 | C26 | C27 | H271 | 0.5° | 0.0° |
| H011 | C01 | C02 | H021 | 0.3° | 0.0° |
| H011 | C01 | C06 | H061 | 0.1° | 0.0° |
| H021 | C02 | C03 | H031 | 0.4° | 0.2° |
| H081 | C08 | C09 | H091 | 0.7° | 0.0° |
| H291 | C29 | C30 | H301 | 0.6° | 0.1° |
| H321 | C32 | H322 | H323 | 120.0° | 120.0° |
| H351 | C35 | C37 | H371 | 177.6° | 180.0° |
| H351 | C35 | C37 | H372 | 58.6° | 60.1° |
| H352 | C35 | C37 | H371 | 61.8° | 60.0° |
| H352 | C35 | C37 | H372 | 179.3° | 180.0° |
| H371 | C37 | C38 | H382 | 56.8° | 59.9° |
| H371 | C37 | C38 | H381 | 62.3° | 180.0° |
| H372 | C37 | C38 | H382 | 175.7° | 180.0° |
| H372 | C37 | C38 | H381 | 56.6° | 59.9° |
| H511 | C51 | C52 | H521 | 0.5° | 0.1° |
| H541 | C54 | C55 | H551 | 0.7° | 0.2° |
| H641 | C64 | C65 | H651 | 0.0° | 0.1° |
| H661 | C66 | C67 | H671 | 0.0° | 0.6° |
| H671 | C67 | C68 | H681 | 0.2° | 0.3° |
| H681 | C68 | C69 | H691 | 0.2° | 0.3° |
| H751 | C75 | C76 | H761 | 0.5° | 0.1° |
| H781 | C78 | C79 | H791 | 0.6° | 0.1° |
| H813 | C81 | H811 | H812 | 120.0° | 120.0° |
