YNG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C36 | O35 | sing | 1.43Å | 1.42Å | |
| O35 | C34 | sing | 1.36Å | 1.40Å | |
| O46 | C37 | sing | 1.36Å | 1.38Å | |
| C34 | C37 | doub | 1.38Å | 1.42Å | Aromatic |
| C34 | C33 | sing | 1.39Å | 1.34Å | Aromatic |
| C37 | C38 | sing | 1.41Å | 1.42Å | Aromatic |
| O45 | C43 | doub | 1.22Å | 1.22Å | |
| N47 | C33 | sing | 1.38Å | 1.35Å | Aromatic |
| N47 | C30 | sing | 1.38Å | 1.39Å | Aromatic |
| C33 | C32 | doub | 1.41Å | 1.42Å | Aromatic |
| O48 | C29 | doub | 1.22Å | 1.24Å | |
| C61 | N62 | doub | 1.32Å | 1.34Å | Aromatic |
| C61 | N60 | sing | 1.33Å | 1.41Å | Aromatic |
| C38 | N42 | sing | 1.40Å | 1.41Å | |
| C38 | C39 | doub | 1.37Å | 1.37Å | Aromatic |
| N62 | C58 | sing | 1.34Å | 1.40Å | Aromatic |
| C43 | N42 | sing | 1.35Å | 1.39Å | |
| C43 | N44 | sing | 1.35Å | 1.40Å | |
| O23 | C22 | sing | 1.36Å | 1.35Å | |
| C30 | C29 | sing | 1.47Å | 1.46Å | |
| C30 | C31 | doub | 1.36Å | 1.38Å | Aromatic |
| C29 | N28 | sing | 1.35Å | 1.36Å | |
| C32 | C39 | sing | 1.41Å | 1.37Å | Aromatic |
| C32 | C31 | sing | 1.41Å | 1.41Å | Aromatic |
| N42 | C41 | sing | 1.46Å | 1.48Å | |
| O20 | C19 | sing | 1.36Å | 1.35Å | |
| O20 | C21 | sing | 1.43Å | 1.40Å | |
| C39 | C40 | sing | 1.51Å | 1.51Å | |
| C22 | C19 | doub | 1.38Å | 1.35Å | Aromatic |
| C22 | C24 | sing | 1.41Å | 1.39Å | Aromatic |
| N60 | C59 | doub | 1.32Å | 1.35Å | Aromatic |
| C58 | C56 | doub | 1.40Å | 1.41Å | Aromatic |
| C58 | C59 | sing | 1.41Å | 1.44Å | Aromatic |
| C19 | C18 | sing | 1.39Å | 1.43Å | Aromatic |
| N57 | C56 | sing | 1.37Å | 1.35Å | |
| N28 | C24 | sing | 1.40Å | 1.39Å | |
| N28 | C27 | sing | 1.47Å | 1.48Å | |
| C24 | C25 | doub | 1.38Å | 1.40Å | Aromatic |
| C56 | N55 | sing | 1.34Å | 1.36Å | Aromatic |
| C59 | N53 | sing | 1.38Å | 1.37Å | Aromatic |
| C41 | C40 | sing | 1.54Å | 1.51Å | |
| C18 | N15 | sing | 1.38Å | 1.37Å | Aromatic |
| C18 | C17 | doub | 1.41Å | 1.39Å | Aromatic |
| C27 | C26 | sing | 1.54Å | 1.53Å | |
| C25 | C17 | sing | 1.40Å | 1.40Å | Aromatic |
| C25 | C26 | sing | 1.51Å | 1.48Å | |
| N15 | C14 | sing | 1.38Å | 1.43Å | Aromatic |
| C17 | C16 | sing | 1.41Å | 1.45Å | Aromatic |
| N55 | C54 | doub | 1.31Å | 1.31Å | Aromatic |
| N53 | C54 | sing | 1.34Å | 1.34Å | Aromatic |
| N53 | C52 | sing | 1.46Å | 1.44Å | |
| C14 | C16 | doub | 1.36Å | 1.36Å | Aromatic |
| C14 | C13 | sing | 1.47Å | 1.47Å | |
| C52 | C51 | sing | 1.53Å | 1.57Å | |
| C13 | O49 | doub | 1.22Å | 1.22Å | |
| C13 | N12 | sing | 1.35Å | 1.39Å | |
| C50 | N12 | sing | 1.46Å | 1.48Å | |
| C50 | C51 | sing | 1.54Å | 1.54Å | |
| N12 | C11 | sing | 1.40Å | 1.42Å | |
| C51 | C10 | sing | 1.51Å | 1.50Å | |
| C11 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C08 | sing | 1.40Å | 1.40Å | Aromatic |
| C10 | C09 | sing | 1.40Å | 1.39Å | Aromatic |
| C08 | C06 | doub | 1.38Å | 1.39Å | Aromatic |
| C09 | C02 | sing | 1.47Å | 1.43Å | Aromatic |
| C09 | C05 | doub | 1.40Å | 1.41Å | Aromatic |
| C01 | C02 | sing | 1.51Å | 1.47Å | |
| C06 | C05 | sing | 1.40Å | 1.41Å | Aromatic |
| C06 | O07 | sing | 1.36Å | 1.39Å | |
| C02 | C03 | doub | 1.34Å | 1.41Å | Aromatic |
| C05 | N04 | sing | 1.38Å | 1.43Å | Aromatic |
| C03 | N04 | sing | 1.37Å | 1.38Å | Aromatic |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H213 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.08Å | 1.08Å | |
| C08 | H081 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.08Å | 1.08Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å | |
| C36 | H363 | sing | 1.09Å | 1.10Å | |
| C40 | H402 | sing | 1.09Å | 1.10Å | |
| C40 | H401 | sing | 1.09Å | 1.10Å | |
| C41 | H411 | sing | 1.09Å | 1.10Å | |
| C41 | H412 | sing | 1.09Å | 1.10Å | |
| C50 | H501 | sing | 1.09Å | 1.10Å | |
| C50 | H502 | sing | 1.09Å | 1.10Å | |
| C51 | H511 | sing | 1.09Å | 1.10Å | |
| C52 | H521 | sing | 1.09Å | 1.10Å | |
| C52 | H522 | sing | 1.09Å | 1.10Å | |
| C54 | H541 | sing | 1.08Å | 1.08Å | |
| C61 | H611 | sing | 1.08Å | 1.08Å | |
| N04 | H041 | sing | 0.97Å | 1.00Å | |
| N15 | H151 | sing | 0.97Å | 1.00Å | |
| N44 | H441 | sing | 0.97Å | 1.00Å | |
| N44 | H442 | sing | 0.97Å | 1.00Å | |
| N47 | H471 | sing | 0.97Å | 1.00Å | |
| N57 | H572 | sing | 0.97Å | 1.00Å | |
| N57 | H571 | sing | 0.97Å | 1.00Å | |
| O07 | H071 | sing | 0.97Å | 0.95Å | |
| O23 | H231 | sing | 0.97Å | 0.95Å | |
| O46 | H461 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C36 | O35 | C34 | 113.9° | 117.0° |
| O35 | C36 | H361 | 109.5° | 109.4° |
| O35 | C36 | H362 | 109.4° | 109.5° |
| O35 | C36 | H363 | 109.5° | 109.5° |
| O35 | C34 | C37 | 113.5° | 119.9° |
| O35 | C34 | C33 | 128.0° | 120.0° |
| O46 | C37 | C34 | 120.8° | 119.6° |
| O46 | C37 | C38 | 120.7° | 119.5° |
| C37 | O46 | H461 | 109.5° | 113.9° |
| C37 | C34 | C33 | 118.5° | 120.1° |
| C34 | C37 | C38 | 118.4° | 120.8° |
| C34 | C33 | N47 | 128.9° | 133.2° |
| C34 | C33 | C32 | 123.3° | 119.4° |
| C37 | C38 | N42 | 129.9° | 128.9° |
| C37 | C38 | C39 | 121.0° | 119.4° |
| O45 | C43 | N42 | 125.7° | 120.1° |
| O45 | C43 | N44 | 120.1° | 120.0° |
| C33 | N47 | C30 | 108.9° | 108.6° |
| N47 | C33 | C32 | 107.8° | 107.4° |
| C33 | N47 | H471 | 125.5° | 125.6° |
| N47 | C30 | C29 | 115.5° | 125.4° |
| N47 | C30 | C31 | 109.2° | 109.1° |
| C30 | N47 | H471 | 125.6° | 125.7° |
| C33 | C32 | C39 | 118.5° | 119.9° |
| C33 | C32 | C31 | 107.6° | 107.1° |
| O48 | C29 | C30 | 119.3° | 120.0° |
| O48 | C29 | N28 | 119.6° | 120.0° |
| N62 | C61 | N60 | 113.7° | 110.2° |
| C61 | N62 | C58 | 105.4° | 108.2° |
| N62 | C61 | H611 | 123.1° | 124.9° |
| C61 | N60 | C59 | 104.3° | 108.7° |
| N60 | C61 | H611 | 123.2° | 125.0° |
| N42 | C38 | C39 | 109.1° | 111.6° |
| C38 | N42 | C43 | 127.4° | 125.0° |
| C38 | N42 | C41 | 110.0° | 109.9° |
| C38 | C39 | C32 | 120.3° | 120.3° |
| C38 | C39 | C40 | 111.2° | 108.8° |
| N62 | C58 | C56 | 132.8° | 135.2° |
| N62 | C58 | C59 | 107.0° | 106.4° |
| N42 | C43 | N44 | 114.2° | 120.0° |
| C43 | N42 | C41 | 122.5° | 125.1° |
| C43 | N44 | H441 | 120.0° | 120.0° |
| C43 | N44 | H442 | 120.0° | 120.0° |
| O23 | C22 | C19 | 118.3° | 119.6° |
| O23 | C22 | C24 | 123.1° | 119.6° |
| C22 | O23 | H231 | 109.5° | 114.0° |
| C29 | C30 | C31 | 135.3° | 125.4° |
| C30 | C29 | N28 | 121.0° | 120.0° |
| C30 | C31 | C32 | 106.5° | 107.8° |
| C30 | C31 | H311 | 126.8° | 126.1° |
| C29 | N28 | C24 | 127.5° | 125.0° |
| C29 | N28 | C27 | 123.5° | 125.0° |
| C39 | C32 | C31 | 133.9° | 133.1° |
| C32 | C39 | C40 | 128.5° | 130.9° |
| C32 | C31 | H311 | 126.7° | 126.1° |
| N42 | C41 | C40 | 105.8° | 105.1° |
| N42 | C41 | H411 | 110.4° | 110.4° |
| N42 | C41 | H412 | 110.4° | 110.3° |
| C19 | O20 | C21 | 114.5° | 117.0° |
| O20 | C19 | C22 | 127.3° | 120.0° |
| O20 | C19 | C18 | 112.6° | 120.0° |
| O20 | C21 | H212 | 109.5° | 109.5° |
| O20 | C21 | H211 | 109.4° | 109.5° |
| O20 | C21 | H213 | 109.5° | 109.5° |
| C39 | C40 | C41 | 103.6° | 104.6° |
| C39 | C40 | H402 | 110.9° | 110.5° |
| C39 | C40 | H401 | 110.9° | 110.4° |
| C19 | C22 | C24 | 118.6° | 120.8° |
| C22 | C19 | C18 | 120.1° | 120.1° |
| C22 | C24 | N28 | 127.8° | 128.9° |
| C22 | C24 | C25 | 121.9° | 119.4° |
| N60 | C59 | C58 | 109.6° | 106.5° |
| N60 | C59 | N53 | 131.8° | 135.1° |
| C56 | C58 | C59 | 120.2° | 118.4° |
| C58 | C56 | N57 | 123.4° | 120.4° |
| C58 | C56 | N55 | 117.3° | 119.2° |
| C58 | C59 | N53 | 118.5° | 118.4° |
| C19 | C18 | N15 | 129.5° | 133.2° |
| C19 | C18 | C17 | 121.9° | 119.4° |
| N57 | C56 | N55 | 119.3° | 120.4° |
| C56 | N57 | H572 | 109.5° | 120.0° |
| C56 | N57 | H571 | 109.5° | 120.0° |
| C24 | N28 | C27 | 107.3° | 110.0° |
| N28 | C24 | C25 | 110.3° | 111.7° |
| N28 | C27 | C26 | 105.8° | 105.0° |
| N28 | C27 | H271 | 110.4° | 110.3° |
| N28 | C27 | H272 | 110.4° | 110.4° |
| C24 | C25 | C17 | 120.8° | 120.3° |
| C24 | C25 | C26 | 110.4° | 108.7° |
| C56 | N55 | C54 | 120.3° | 121.9° |
| C59 | N53 | C54 | 116.9° | 119.7° |
| C59 | N53 | C52 | 119.9° | 120.1° |
| C41 | C40 | H402 | 110.9° | 110.4° |
| C41 | C40 | H401 | 110.9° | 110.5° |
| C40 | C41 | H411 | 110.4° | 110.3° |
| C40 | C41 | H412 | 110.4° | 110.4° |
| N15 | C18 | C17 | 108.6° | 107.4° |
| C18 | N15 | C14 | 108.0° | 108.6° |
| C18 | N15 | H151 | 126.0° | 125.7° |
| C18 | C17 | C25 | 116.6° | 119.9° |
| C18 | C17 | C16 | 107.7° | 107.0° |
| C27 | C26 | C25 | 102.4° | 104.6° |
| C27 | C26 | H262 | 111.2° | 110.4° |
| C27 | C26 | H261 | 111.2° | 110.6° |
| C26 | C27 | H271 | 110.4° | 110.3° |
| C26 | C27 | H272 | 110.4° | 110.3° |
| C17 | C25 | C26 | 128.8° | 130.9° |
| C25 | C17 | C16 | 135.7° | 133.1° |
| C25 | C26 | H262 | 111.2° | 110.4° |
| C25 | C26 | H261 | 111.2° | 110.3° |
| N15 | C14 | C16 | 108.8° | 109.1° |
| N15 | C14 | C13 | 117.2° | 125.5° |
| C14 | N15 | H151 | 126.0° | 125.6° |
| C17 | C16 | C14 | 107.0° | 107.8° |
| C17 | C16 | H161 | 126.5° | 126.1° |
| N55 | C54 | N53 | 126.8° | 122.4° |
| N55 | C54 | H541 | 116.6° | 118.8° |
| C54 | N53 | C52 | 123.2° | 120.1° |
| N53 | C54 | H541 | 116.6° | 118.8° |
| N53 | C52 | C51 | 112.2° | 109.5° |
| N53 | C52 | H521 | 108.8° | 109.5° |
| N53 | C52 | H522 | 108.8° | 109.4° |
| C16 | C14 | C13 | 134.1° | 125.5° |
| C14 | C16 | H161 | 126.5° | 126.1° |
| C14 | C13 | O49 | 119.1° | 120.1° |
| C14 | C13 | N12 | 120.1° | 120.0° |
| C52 | C51 | C50 | 112.2° | 110.4° |
| C52 | C51 | C10 | 105.5° | 110.2° |
| C52 | C51 | H511 | 111.6° | 110.5° |
| C51 | C52 | H521 | 108.8° | 109.5° |
| C51 | C52 | H522 | 108.8° | 109.5° |
| O49 | C13 | N12 | 120.6° | 120.0° |
| C13 | N12 | C50 | 126.3° | 125.0° |
| C13 | N12 | C11 | 126.2° | 125.0° |
| N12 | C50 | C51 | 105.2° | 105.0° |
| C50 | N12 | C11 | 107.2° | 110.1° |
| N12 | C50 | H501 | 110.5° | 110.3° |
| N12 | C50 | H502 | 110.5° | 110.4° |
| C50 | C51 | C10 | 102.4° | 104.6° |
| C51 | C50 | H501 | 110.5° | 110.2° |
| C51 | C50 | H502 | 110.5° | 110.4° |
| C50 | C51 | H511 | 111.9° | 110.4° |
| N12 | C11 | C10 | 110.6° | 111.7° |
| N12 | C11 | C08 | 125.9° | 129.0° |
| C51 | C10 | C11 | 110.1° | 108.7° |
| C51 | C10 | C09 | 130.4° | 131.1° |
| C10 | C51 | H511 | 112.7° | 110.6° |
| C10 | C11 | C08 | 123.5° | 119.4° |
| C11 | C10 | C09 | 119.5° | 120.3° |
| C11 | C08 | C06 | 117.6° | 121.0° |
| C11 | C08 | H081 | 121.2° | 119.6° |
| C10 | C09 | C02 | 135.3° | 133.8° |
| C10 | C09 | C05 | 117.5° | 120.1° |
| C08 | C06 | C05 | 119.3° | 120.0° |
| C08 | C06 | O07 | 120.9° | 120.0° |
| C06 | C08 | H081 | 121.2° | 119.5° |
| C02 | C09 | C05 | 107.2° | 106.1° |
| C09 | C02 | C01 | 126.2° | 126.5° |
| C09 | C02 | C03 | 107.6° | 107.0° |
| C09 | C05 | C06 | 122.6° | 119.2° |
| C09 | C05 | N04 | 107.7° | 107.2° |
| C01 | C02 | C03 | 126.3° | 126.5° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C05 | C06 | O07 | 119.8° | 120.0° |
| C06 | C05 | N04 | 129.7° | 133.6° |
| C06 | O07 | H071 | 109.5° | 114.0° |
| C02 | C03 | N04 | 109.2° | 109.9° |
| C02 | C03 | H031 | 125.4° | 125.0° |
| C05 | N04 | C03 | 108.3° | 109.8° |
| C05 | N04 | H041 | 125.8° | 125.1° |
| N04 | C03 | H031 | 125.4° | 125.0° |
| C03 | N04 | H041 | 125.8° | 125.1° |
| H212 | C21 | H211 | 109.5° | 109.5° |
| H212 | C21 | H213 | 109.5° | 109.4° |
| H211 | C21 | H213 | 109.5° | 109.4° |
| H262 | C26 | H261 | 109.5° | 110.4° |
| H013 | C01 | H011 | 109.5° | 109.5° |
| H013 | C01 | H012 | 109.4° | 109.4° |
| H011 | C01 | H012 | 109.5° | 109.5° |
| H271 | C27 | H272 | 109.5° | 110.3° |
| H361 | C36 | H362 | 109.5° | 109.5° |
| H361 | C36 | H363 | 109.4° | 109.5° |
| H362 | C36 | H363 | 109.5° | 109.4° |
| H402 | C40 | H401 | 109.5° | 110.3° |
| H411 | C41 | H412 | 109.5° | 110.3° |
| H501 | C50 | H502 | 109.5° | 110.4° |
| H521 | C52 | H522 | 109.5° | 109.5° |
| H441 | N44 | H442 | 120.0° | 120.0° |
| H572 | N57 | H571 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C36 | O35 | C34 | C37 | 87.7° | 90.0° |
| C36 | O35 | C34 | C33 | 93.9° | 89.9° |
| O35 | C36 | H361 | H362 | 120.0° | 120.0° |
| O35 | C36 | H361 | H363 | 120.0° | 120.0° |
| O35 | C36 | H362 | H363 | 120.0° | 120.0° |
| O35 | C34 | C37 | O46 | 0.9° | 0.0° |
| O35 | C34 | C37 | C33 | 178.5° | 180.0° |
| O35 | C34 | C37 | C38 | 179.4° | 180.0° |
| O35 | C34 | C33 | N47 | 1.7° | 0.3° |
| O35 | C34 | C33 | C32 | 179.1° | 180.0° |
| C34 | O35 | C36 | H361 | 180.0° | 180.0° |
| C34 | O35 | C36 | H362 | 60.0° | 60.0° |
| C34 | O35 | C36 | H363 | 60.0° | 59.9° |
| O46 | C37 | C34 | C38 | 179.6° | 179.9° |
| O46 | C37 | C34 | C33 | 179.5° | 179.9° |
| O46 | C37 | C38 | N42 | 0.5° | 0.1° |
| O46 | C37 | C38 | C39 | 180.0° | 180.0° |
| C37 | C34 | C33 | N47 | 180.0° | 179.6° |
| C37 | C34 | C33 | C32 | 0.8° | 0.1° |
| C34 | C37 | C38 | N42 | 179.2° | 180.0° |
| C34 | C37 | C38 | C39 | 0.4° | 0.1° |
| C34 | C37 | O46 | H461 | 179.6° | 90.0° |
| C33 | C34 | C37 | C38 | 0.9° | 0.0° |
| C34 | C33 | N47 | C32 | 179.3° | 179.7° |
| C34 | C33 | N47 | C30 | 179.0° | 179.8° |
| C34 | C33 | C32 | C39 | 0.2° | 0.1° |
| C34 | C33 | C32 | C31 | 179.8° | 180.0° |
| C34 | C33 | N47 | H471 | 1.0° | 0.3° |
| C37 | C38 | N42 | C39 | 179.6° | 179.9° |
| C37 | C38 | N42 | C43 | 1.3° | 0.0° |
| C37 | C38 | C39 | C32 | 0.2° | 0.1° |
| C37 | C38 | N42 | C41 | 177.8° | 179.9° |
| C37 | C38 | C39 | C40 | 179.6° | 179.9° |
| C38 | C37 | O46 | H461 | 0.8° | 90.1° |
| O45 | C43 | N42 | C38 | 0.1° | 6.3° |
| O45 | C43 | N42 | N44 | 179.6° | 179.9° |
| O45 | C43 | N42 | C41 | 175.9° | 173.6° |
| O45 | C43 | N44 | H441 | 0.0° | 180.0° |
| O45 | C43 | N44 | H442 | 180.0° | 0.1° |
| C33 | N47 | C30 | H471 | 180.0° | 179.5° |
| C33 | N47 | C30 | C29 | 179.1° | 179.9° |
| C33 | N47 | C30 | C31 | 1.0° | 0.4° |
| N47 | C33 | C32 | C39 | 179.6° | 179.7° |
| N47 | C33 | C32 | C31 | 0.4° | 0.3° |
| C30 | N47 | C33 | C32 | 0.3° | 0.4° |
| N47 | C30 | C29 | O48 | 14.6° | 179.7° |
| N47 | C30 | C29 | C31 | 179.9° | 179.7° |
| N47 | C30 | C29 | N28 | 161.1° | 0.3° |
| N47 | C30 | C31 | C32 | 1.2° | 0.2° |
| N47 | C30 | C31 | H311 | 178.7° | 179.7° |
| C33 | C32 | C39 | C38 | 0.3° | 0.0° |
| C33 | C32 | C31 | C30 | 1.0° | 0.0° |
| C33 | C32 | C39 | C31 | 180.0° | 180.0° |
| C33 | C32 | C39 | C40 | 179.4° | 180.0° |
| C33 | C32 | C31 | H311 | 179.0° | 180.0° |
| C32 | C33 | N47 | H471 | 179.7° | 180.0° |
| O48 | C29 | C30 | N28 | 175.7° | 180.0° |
| O48 | C29 | C30 | C31 | 165.3° | 0.0° |
| O48 | C29 | N28 | C24 | 3.8° | 5.7° |
| O48 | C29 | N28 | C27 | 159.8° | 174.2° |
| N62 | C61 | N60 | H611 | 180.0° | 179.7° |
| N62 | C61 | N60 | C59 | 1.7° | 0.1° |
| C61 | N62 | C58 | C56 | 178.6° | 179.9° |
| C61 | N62 | C58 | C59 | 0.2° | 0.3° |
| N60 | C61 | N62 | C58 | 0.9° | 0.3° |
| C61 | N60 | C59 | C58 | 1.7° | 0.0° |
| C61 | N60 | C59 | N53 | 179.0° | 179.7° |
| C38 | N42 | C43 | C41 | 176.1° | 179.9° |
| C38 | N42 | C43 | N44 | 179.8° | 173.6° |
| N42 | C38 | C39 | C32 | 179.9° | 180.0° |
| N42 | C38 | C39 | C40 | 0.1° | 0.0° |
| C38 | N42 | C41 | C40 | 4.1° | 0.1° |
| C38 | N42 | C41 | H411 | 115.4° | 118.9° |
| C38 | N42 | C41 | H412 | 123.5° | 119.0° |
| C39 | C38 | N42 | C43 | 179.0° | 180.0° |
| C38 | C39 | C32 | C40 | 179.8° | 180.0° |
| C38 | C39 | C32 | C31 | 179.7° | 180.0° |
| C39 | C38 | N42 | C41 | 2.5° | 0.1° |
| C38 | C39 | C40 | C41 | 2.5° | 0.0° |
| C38 | C39 | C40 | H402 | 116.5° | 118.8° |
| C38 | C39 | C40 | H401 | 121.6° | 118.9° |
| N62 | C58 | C59 | N60 | 1.3° | 0.2° |
| N62 | C58 | C56 | C59 | 178.3° | 179.8° |
| N62 | C58 | C56 | N57 | 1.3° | 0.0° |
| N62 | C58 | C56 | N55 | 179.4° | 180.0° |
| N62 | C58 | C59 | N53 | 179.0° | 179.9° |
| C58 | N62 | C61 | H611 | 179.1° | 180.0° |
| C43 | N42 | C41 | C40 | 179.2° | 180.0° |
| C43 | N42 | C41 | H411 | 61.3° | 61.0° |
| C43 | N42 | C41 | H412 | 59.8° | 61.1° |
| N42 | C43 | N44 | H441 | 179.7° | 0.1° |
| N42 | C43 | N44 | H442 | 0.3° | 180.0° |
| N44 | C43 | N42 | C41 | 3.7° | 6.5° |
| C43 | N44 | H441 | H442 | 180.0° | 179.9° |
| O23 | C22 | C19 | O20 | 0.9° | 0.2° |
| O23 | C22 | C19 | C24 | 179.4° | 179.3° |
| O23 | C22 | C19 | C18 | 179.7° | 180.0° |
| O23 | C22 | C24 | N28 | 1.2° | 0.4° |
| O23 | C22 | C24 | C25 | 179.5° | 179.7° |
| C29 | C30 | C31 | C32 | 178.8° | 180.0° |
| C30 | C29 | N28 | C24 | 179.6° | 174.3° |
| C30 | C29 | N28 | C27 | 15.9° | 5.8° |
| C29 | C30 | C31 | H311 | 1.2° | 0.0° |
| C29 | C30 | N47 | H471 | 0.9° | 0.3° |
| C31 | C30 | C29 | N28 | 19.0° | 180.0° |
| C30 | C31 | C32 | C39 | 179.0° | 180.0° |
| C30 | C31 | C32 | H311 | 180.0° | 179.9° |
| C31 | C30 | N47 | H471 | 179.0° | 180.0° |
| C29 | N28 | C24 | C22 | 25.8° | 0.1° |
| C29 | N28 | C24 | C27 | 165.8° | 179.9° |
| C29 | N28 | C24 | C25 | 152.6° | 180.0° |
| C29 | N28 | C27 | C26 | 147.1° | 180.0° |
| C29 | N28 | C27 | H271 | 93.5° | 61.1° |
| C29 | N28 | C27 | H272 | 27.7° | 61.1° |
| C32 | C39 | C40 | C41 | 177.7° | 180.0° |
| C39 | C32 | C31 | H311 | 1.1° | 0.0° |
| C32 | C39 | C40 | H402 | 63.2° | 61.1° |
| C32 | C39 | C40 | H401 | 58.7° | 61.2° |
| C31 | C32 | C39 | C40 | 0.6° | 0.1° |
| N42 | C41 | C40 | C39 | 3.8° | 0.0° |
| N42 | C41 | C40 | H411 | 119.4° | 119.0° |
| N42 | C41 | C40 | H412 | 119.4° | 118.9° |
| N42 | C41 | C40 | H402 | 115.2° | 118.9° |
| N42 | C41 | C40 | H401 | 122.9° | 118.8° |
| N42 | C41 | H411 | H412 | 121.7° | 122.2° |
| O20 | C19 | C22 | C18 | 178.8° | 179.8° |
| O20 | C19 | C22 | C24 | 178.5° | 179.5° |
| O20 | C19 | C18 | N15 | 0.6° | 0.0° |
| O20 | C19 | C18 | C17 | 179.9° | 179.6° |
| C19 | O20 | C21 | H212 | 180.0° | 175.1° |
| C19 | O20 | C21 | H211 | 60.0° | 55.0° |
| C19 | O20 | C21 | H213 | 60.0° | 65.0° |
| C21 | O20 | C19 | C22 | 84.6° | 85.0° |
| C21 | O20 | C19 | C18 | 94.3° | 94.8° |
| O20 | C21 | H212 | H211 | 120.0° | 120.1° |
| O20 | C21 | H212 | H213 | 120.0° | 120.0° |
| O20 | C21 | H211 | H213 | 120.0° | 120.0° |
| C39 | C40 | C41 | H402 | 119.1° | 118.9° |
| C39 | C40 | C41 | H401 | 119.1° | 118.8° |
| C39 | C40 | H402 | H401 | 122.7° | 122.4° |
| C39 | C40 | C41 | H411 | 115.6° | 118.9° |
| C39 | C40 | C41 | H412 | 123.2° | 119.0° |
| C19 | C22 | C24 | N28 | 179.4° | 179.7° |
| C19 | C22 | C24 | C25 | 1.1° | 0.4° |
| C22 | C19 | C18 | N15 | 179.5° | 179.8° |
| C22 | C19 | C18 | C17 | 1.0° | 0.7° |
| C19 | C22 | O23 | H231 | 153.9° | 90.1° |
| C24 | C22 | C19 | C18 | 0.3° | 0.7° |
| C22 | C24 | N28 | C25 | 178.4° | 179.9° |
| C22 | C24 | N28 | C27 | 168.4° | 179.9° |
| C22 | C24 | C25 | C17 | 0.7° | 0.0° |
| C22 | C24 | C25 | C26 | 179.8° | 179.9° |
| C24 | C22 | O23 | H231 | 26.8° | 90.7° |
| N60 | C59 | C58 | C56 | 180.0° | 180.0° |
| N60 | C59 | C58 | N53 | 177.7° | 179.7° |
| N60 | C59 | N53 | C54 | 179.5° | 179.6° |
| N60 | C59 | N53 | C52 | 1.5° | 0.3° |
| C59 | N60 | C61 | H611 | 178.3° | 179.8° |
| C58 | C56 | N57 | N55 | 179.3° | 180.0° |
| C56 | C58 | C59 | N53 | 2.4° | 0.3° |
| C58 | C56 | N55 | C54 | 0.0° | 0.0° |
| C58 | C56 | N57 | H572 | 179.3° | 180.0° |
| C58 | C56 | N57 | H571 | 59.3° | 0.0° |
| C59 | C58 | C56 | N57 | 179.5° | 179.8° |
| C59 | C58 | C56 | N55 | 1.1° | 0.3° |
| C58 | C59 | N53 | C54 | 2.4° | 0.0° |
| C58 | C59 | N53 | C52 | 178.5° | 179.9° |
| C19 | C18 | N15 | C17 | 179.6° | 179.6° |
| C19 | C18 | C17 | C25 | 1.3° | 0.3° |
| C19 | C18 | N15 | C14 | 179.2° | 180.0° |
| C19 | C18 | C17 | C16 | 178.9° | 179.9° |
| C19 | C18 | N15 | H151 | 0.8° | 0.4° |
| N57 | C56 | N55 | C54 | 179.4° | 180.0° |
| C56 | N57 | H572 | H571 | 120.0° | 180.0° |
| C24 | N28 | C27 | C26 | 19.4° | 0.0° |
| N28 | C24 | C25 | C17 | 179.3° | 179.9° |
| N28 | C24 | C25 | C26 | 1.2° | 0.0° |
| C24 | N28 | C27 | H271 | 100.0° | 118.9° |
| C24 | N28 | C27 | H272 | 138.8° | 118.9° |
| C27 | N28 | C24 | C25 | 13.1° | 0.0° |
| N28 | C27 | C26 | H271 | 119.4° | 118.9° |
| N28 | C27 | C26 | H272 | 119.4° | 119.0° |
| N28 | C27 | C26 | C25 | 17.8° | 0.0° |
| N28 | C27 | C26 | H262 | 136.6° | 118.8° |
| N28 | C27 | C26 | H261 | 101.1° | 118.8° |
| N28 | C27 | H271 | H272 | 121.7° | 122.2° |
| C24 | C25 | C17 | C18 | 0.5° | 0.0° |
| C24 | C25 | C26 | C27 | 10.6° | 0.0° |
| C24 | C25 | C17 | C26 | 179.4° | 179.9° |
| C24 | C25 | C17 | C16 | 179.8° | 179.7° |
| C24 | C25 | C26 | H262 | 129.4° | 118.8° |
| C24 | C25 | C26 | H261 | 108.3° | 118.9° |
| C56 | N55 | C54 | N53 | 0.2° | 0.3° |
| C56 | N55 | C54 | H541 | 179.8° | 180.0° |
| N55 | C56 | N57 | H572 | 0.0° | 0.0° |
| N55 | C56 | N57 | H571 | 120.0° | 180.0° |
| C59 | N53 | C54 | N55 | 1.4° | 0.3° |
| C59 | N53 | C54 | C52 | 179.0° | 179.9° |
| C59 | N53 | C52 | C51 | 114.7° | 90.0° |
| C59 | N53 | C52 | H521 | 124.9° | 30.0° |
| C59 | N53 | C52 | H522 | 5.7° | 150.0° |
| C59 | N53 | C54 | H541 | 178.6° | 180.0° |
| C41 | C40 | H402 | H401 | 122.7° | 122.4° |
| C40 | C41 | H411 | H412 | 121.7° | 122.2° |
| N15 | C18 | C17 | C25 | 179.0° | 180.0° |
| C18 | N15 | C14 | H151 | 180.0° | 179.7° |
| N15 | C18 | C17 | C16 | 0.7° | 0.2° |
| C18 | N15 | C14 | C16 | 0.1° | 0.3° |
| C18 | N15 | C14 | C13 | 178.3° | 179.9° |
| C18 | C17 | C25 | C16 | 179.7° | 179.8° |
| C18 | C17 | C25 | C26 | 178.9° | 180.0° |
| C17 | C18 | N15 | C14 | 0.4° | 0.3° |
| C18 | C17 | C16 | C14 | 0.8° | 0.0° |
| C18 | C17 | C16 | H161 | 179.2° | 180.0° |
| C17 | C18 | N15 | H151 | 179.7° | 180.0° |
| C27 | C26 | C25 | C17 | 168.9° | 179.9° |
| C27 | C26 | C25 | H262 | 118.8° | 118.8° |
| C27 | C26 | C25 | H261 | 118.9° | 118.9° |
| C27 | C26 | H262 | H261 | 123.3° | 122.5° |
| C26 | C27 | H271 | H272 | 121.7° | 122.2° |
| C25 | C17 | C16 | C14 | 178.9° | 179.8° |
| C17 | C25 | C26 | H262 | 50.0° | 61.1° |
| C17 | C25 | C26 | H261 | 72.3° | 61.2° |
| C25 | C17 | C16 | H161 | 1.1° | 0.2° |
| C26 | C25 | C17 | C16 | 0.8° | 0.2° |
| C25 | C26 | H262 | H261 | 123.3° | 122.3° |
| C25 | C26 | C27 | H271 | 101.6° | 118.9° |
| C25 | C26 | C27 | H272 | 137.2° | 118.9° |
| N15 | C14 | C16 | C17 | 0.6° | 0.2° |
| N15 | C14 | C16 | C13 | 178.1° | 179.8° |
| N15 | C14 | C13 | O49 | 22.2° | 173.9° |
| N15 | C14 | C13 | N12 | 163.1° | 6.1° |
| N15 | C14 | C16 | H161 | 179.5° | 179.8° |
| C17 | C16 | C14 | H161 | 180.0° | 180.0° |
| C17 | C16 | C14 | C13 | 177.5° | 180.0° |
| N55 | C54 | N53 | H541 | 180.0° | 179.7° |
| N55 | C54 | N53 | C52 | 179.5° | 179.8° |
| C54 | N53 | C52 | C51 | 66.3° | 89.9° |
| C54 | N53 | C52 | H521 | 54.1° | 150.0° |
| C54 | N53 | C52 | H522 | 173.3° | 30.1° |
| N53 | C52 | C51 | H521 | 120.4° | 120.0° |
| N53 | C52 | C51 | H522 | 120.4° | 120.0° |
| N53 | C52 | C51 | C50 | 76.2° | 67.1° |
| N53 | C52 | C51 | C10 | 173.1° | 177.9° |
| N53 | C52 | C51 | H511 | 50.4° | 55.3° |
| N53 | C52 | H521 | H522 | 118.8° | 119.9° |
| C52 | N53 | C54 | H541 | 0.5° | 0.1° |
| C16 | C14 | C13 | O49 | 155.7° | 6.3° |
| C16 | C14 | C13 | N12 | 18.9° | 173.7° |
| C16 | C14 | N15 | H151 | 179.8° | 180.0° |
| C14 | C13 | O49 | N12 | 174.6° | 180.0° |
| C14 | C13 | N12 | C50 | 8.4° | 4.5° |
| C14 | C13 | N12 | C11 | 164.8° | 175.6° |
| C13 | C14 | C16 | H161 | 2.5° | 0.0° |
| C13 | C14 | N15 | H151 | 1.7° | 0.2° |
| C52 | C51 | C50 | N12 | 92.6° | 118.8° |
| C52 | C51 | C50 | C10 | 112.6° | 118.6° |
| C52 | C51 | C50 | H511 | 126.4° | 122.5° |
| C52 | C51 | C10 | H511 | 122.0° | 122.5° |
| C52 | C51 | C10 | C11 | 104.5° | 119.0° |
| C52 | C51 | C10 | C09 | 75.4° | 61.3° |
| C52 | C51 | C50 | H501 | 148.1° | 122.4° |
| C52 | C51 | C50 | H502 | 26.7° | 0.2° |
| C51 | C52 | H521 | H522 | 118.7° | 120.0° |
| O49 | C13 | N12 | C50 | 177.1° | 175.5° |
| O49 | C13 | N12 | C11 | 9.7° | 4.4° |
| C13 | N12 | C50 | C11 | 174.2° | 179.9° |
| C13 | N12 | C50 | C51 | 165.2° | 179.8° |
| C13 | N12 | C11 | C10 | 172.9° | 180.0° |
| C13 | N12 | C11 | C08 | 6.0° | 0.0° |
| C13 | N12 | C50 | H501 | 75.5° | 61.1° |
| C13 | N12 | C50 | H502 | 45.9° | 61.2° |
| N12 | C50 | C51 | H501 | 119.3° | 118.8° |
| N12 | C50 | C51 | H502 | 119.3° | 119.0° |
| N12 | C50 | C51 | C10 | 20.0° | 0.2° |
| C50 | N12 | C11 | C10 | 12.8° | 0.1° |
| C50 | N12 | C11 | C08 | 168.2° | 180.0° |
| N12 | C50 | H501 | H502 | 122.0° | 122.3° |
| N12 | C50 | C51 | H511 | 141.0° | 118.8° |
| C51 | C50 | N12 | C11 | 20.5° | 0.1° |
| C50 | C51 | C10 | H511 | 120.4° | 118.9° |
| C50 | C51 | C10 | C11 | 13.1° | 0.3° |
| C50 | C51 | C10 | C09 | 167.0° | 180.0° |
| C51 | C50 | H501 | H502 | 122.0° | 122.2° |
| C50 | C51 | C52 | H521 | 163.4° | 52.9° |
| C50 | C51 | C52 | H522 | 44.2° | 172.9° |
| N12 | C11 | C10 | C51 | 0.7° | 0.3° |
| N12 | C11 | C10 | C08 | 179.0° | 179.9° |
| N12 | C11 | C10 | C09 | 179.4° | 180.0° |
| N12 | C11 | C08 | C06 | 179.3° | 179.9° |
| N12 | C11 | C08 | H081 | 0.7° | 0.0° |
| C11 | N12 | C50 | H501 | 98.8° | 118.8° |
| C11 | N12 | C50 | H502 | 139.8° | 118.9° |
| C51 | C10 | C11 | C09 | 179.9° | 179.7° |
| C51 | C10 | C11 | C08 | 178.3° | 179.8° |
| C51 | C10 | C09 | C02 | 0.3° | 0.4° |
| C51 | C10 | C09 | C05 | 177.9° | 179.7° |
| C10 | C51 | C50 | H501 | 99.3° | 119.1° |
| C10 | C51 | C50 | H502 | 139.3° | 118.8° |
| C10 | C51 | C52 | H521 | 52.7° | 62.1° |
| C10 | C51 | C52 | H522 | 66.5° | 57.9° |
| C10 | C11 | C08 | C06 | 0.5° | 0.0° |
| C11 | C10 | C09 | C02 | 179.9° | 180.0° |
| C11 | C10 | C09 | C05 | 1.9° | 0.0° |
| C10 | C11 | C08 | H081 | 179.5° | 179.9° |
| C11 | C10 | C51 | H511 | 133.5° | 118.6° |
| C08 | C11 | C10 | C09 | 1.6° | 0.1° |
| C11 | C08 | C06 | H081 | 180.0° | 179.9° |
| C11 | C08 | C06 | C05 | 0.1° | 0.1° |
| C11 | C08 | C06 | O07 | 179.8° | 179.9° |
| C10 | C09 | C02 | C05 | 178.4° | 180.0° |
| C10 | C09 | C02 | C01 | 0.7° | 0.1° |
| C10 | C09 | C05 | C06 | 1.3° | 0.1° |
| C10 | C09 | C02 | C03 | 179.6° | 179.9° |
| C10 | C09 | C05 | N04 | 179.0° | 180.0° |
| C09 | C10 | C51 | H511 | 46.6° | 61.1° |
| C08 | C06 | C05 | C09 | 0.3° | 0.2° |
| C08 | C06 | C05 | O07 | 179.9° | 179.9° |
| C08 | C06 | C05 | N04 | 179.9° | 180.0° |
| C08 | C06 | O07 | H071 | 180.0° | 85.1° |
| C09 | C02 | C01 | C03 | 179.6° | 180.0° |
| C02 | C09 | C05 | C06 | 180.0° | 179.8° |
| C02 | C09 | C05 | N04 | 0.3° | 0.0° |
| C09 | C02 | C03 | N04 | 1.8° | 0.0° |
| C09 | C02 | C01 | H013 | 90.2° | 113.8° |
| C09 | C02 | C01 | H011 | 149.8° | 6.2° |
| C09 | C02 | C01 | H012 | 29.8° | 126.2° |
| C09 | C02 | C03 | H031 | 178.2° | 180.0° |
| C05 | C09 | C02 | C01 | 179.1° | 180.0° |
| C09 | C05 | C06 | N04 | 179.7° | 179.8° |
| C09 | C05 | C06 | O07 | 179.8° | 179.9° |
| C05 | C09 | C02 | C03 | 1.2° | 0.0° |
| C09 | C05 | N04 | C03 | 0.8° | 0.0° |
| C09 | C05 | N04 | H041 | 179.2° | 179.9° |
| C01 | C02 | C03 | N04 | 178.6° | 180.0° |
| C02 | C01 | H013 | H011 | 120.0° | 120.0° |
| C02 | C01 | H013 | H012 | 120.0° | 120.0° |
| C02 | C01 | H011 | H012 | 120.0° | 120.0° |
| C01 | C02 | C03 | H031 | 1.4° | 0.0° |
| C06 | C05 | N04 | C03 | 178.9° | 179.8° |
| C05 | C06 | C08 | H081 | 179.9° | 180.0° |
| C06 | C05 | N04 | H041 | 1.1° | 0.1° |
| C05 | C06 | O07 | H071 | 0.1° | 95.0° |
| O07 | C06 | C05 | N04 | 0.1° | 0.1° |
| O07 | C06 | C08 | H081 | 0.2° | 0.0° |
| C02 | C03 | N04 | C05 | 1.6° | 0.0° |
| C02 | C03 | N04 | H031 | 180.0° | 180.0° |
| C03 | C02 | C01 | H013 | 90.2° | 66.2° |
| C03 | C02 | C01 | H011 | 29.8° | 173.8° |
| C03 | C02 | C01 | H012 | 149.8° | 53.8° |
| C02 | C03 | N04 | H041 | 178.4° | 179.9° |
| C05 | N04 | C03 | H041 | 180.0° | 179.9° |
| C05 | N04 | C03 | H031 | 178.4° | 180.0° |
| H212 | C21 | H211 | H213 | 120.0° | 120.0° |
| H262 | C26 | C27 | H271 | 17.2° | 0.1° |
| H262 | C26 | C27 | H272 | 104.0° | 122.3° |
| H261 | C26 | C27 | H271 | 139.5° | 122.3° |
| H261 | C26 | C27 | H272 | 18.3° | 0.2° |
| H013 | C01 | H011 | H012 | 120.0° | 120.0° |
| H031 | C03 | N04 | H041 | 1.6° | 0.1° |
| H361 | C36 | H362 | H363 | 120.0° | 120.0° |
| H402 | C40 | C41 | H411 | 125.3° | 0.1° |
| H402 | C40 | C41 | H412 | 4.2° | 122.2° |
| H401 | C40 | C41 | H411 | 3.5° | 122.3° |
| H401 | C40 | C41 | H412 | 117.7° | 0.2° |
| H501 | C50 | C51 | H511 | 21.7° | 0.1° |
| H502 | C50 | C51 | H511 | 99.7° | 122.3° |
| H511 | C51 | C52 | H521 | 70.0° | 175.3° |
| H511 | C51 | C52 | H522 | 170.8° | 64.6° |
