A1CYT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O47 | C46 | doub | 1.21Å | 1.19Å | |
| C42 | C41 | sing | 1.53Å | 1.55Å | |
| C43 | C41 | sing | 1.53Å | 1.55Å | |
| C50 | C48 | sing | 1.53Å | 1.53Å | |
| C50 | C49 | sing | 1.53Å | 1.53Å | |
| C46 | C48 | sing | 1.51Å | 1.55Å | |
| C46 | N44 | sing | 1.35Å | 1.49Å | |
| C41 | C40 | sing | 1.53Å | 1.53Å | |
| O21 | C20 | doub | 1.21Å | 1.19Å | |
| C40 | N44 | sing | 1.46Å | 1.46Å | |
| C40 | C38 | sing | 1.51Å | 1.53Å | |
| C48 | C51 | sing | 1.47Å | 1.53Å | |
| C48 | C49 | sing | 1.53Å | 1.54Å | |
| C51 | N52 | trip | 1.14Å | 1.14Å | |
| N44 | C45 | sing | 1.47Å | 1.48Å | |
| N37 | C38 | sing | 1.35Å | 1.48Å | |
| N37 | C22 | sing | 1.47Å | 1.45Å | |
| C38 | O39 | doub | 1.21Å | 1.19Å | |
| C20 | C22 | sing | 1.51Å | 1.52Å | |
| C20 | N18 | sing | 1.35Å | 1.47Å | |
| C23 | C22 | sing | 1.53Å | 1.54Å | |
| C23 | C24 | sing | 1.51Å | 1.56Å | |
| C17 | N18 | sing | 1.47Å | 1.52Å | |
| C17 | C16 | sing | 1.53Å | 1.50Å | |
| N18 | N19 | sing | 1.37Å | 1.49Å | |
| C16 | C15 | sing | 1.52Å | 1.44Å | |
| C24 | C25 | doub | 1.38Å | 1.40Å | Aromatic |
| C24 | C30 | sing | 1.38Å | 1.41Å | Aromatic |
| C25 | C26 | sing | 1.39Å | 1.40Å | Aromatic |
| N19 | C14 | sing | 1.47Å | 1.49Å | |
| C30 | C29 | doub | 1.39Å | 1.40Å | Aromatic |
| C26 | O27 | sing | 1.36Å | 1.41Å | |
| C26 | C28 | doub | 1.39Å | 1.40Å | Aromatic |
| C15 | C14 | sing | 1.52Å | 1.45Å | |
| C14 | C12 | sing | 1.51Å | 1.57Å | |
| C29 | C28 | sing | 1.39Å | 1.40Å | Aromatic |
| C29 | C31 | sing | 1.48Å | 1.42Å | |
| C12 | O11 | sing | 1.34Å | 1.41Å | |
| C12 | O13 | doub | 1.21Å | 1.19Å | |
| C31 | C36 | doub | 1.39Å | 1.42Å | Aromatic |
| C31 | C32 | sing | 1.40Å | 1.42Å | Aromatic |
| C36 | C35 | sing | 1.40Å | 1.44Å | Aromatic |
| O11 | C10 | sing | 1.45Å | 1.42Å | |
| C32 | C33 | doub | 1.36Å | 1.41Å | Aromatic |
| C35 | C05 | sing | 1.46Å | 1.43Å | Aromatic |
| C35 | C34 | doub | 1.41Å | 1.40Å | Aromatic |
| C06 | C05 | sing | 1.51Å | 1.57Å | |
| C06 | C07 | sing | 1.53Å | 1.57Å | |
| C09 | C07 | sing | 1.53Å | 1.55Å | |
| C33 | C34 | sing | 1.39Å | 1.43Å | Aromatic |
| C10 | C07 | sing | 1.53Å | 1.56Å | |
| C05 | C04 | doub | 1.36Å | 1.41Å | Aromatic |
| C34 | N03 | sing | 1.38Å | 1.35Å | Aromatic |
| C07 | C08 | sing | 1.53Å | 1.55Å | |
| C04 | N03 | sing | 1.38Å | 1.34Å | Aromatic |
| C04 | C53 | sing | 1.48Å | 1.43Å | |
| N03 | C02 | sing | 1.47Å | 1.48Å | |
| C54 | C53 | doub | 1.40Å | 1.40Å | Aromatic |
| C54 | C55 | sing | 1.38Å | 1.40Å | Aromatic |
| C01 | C02 | sing | 1.53Å | 1.55Å | |
| C53 | C58 | sing | 1.40Å | 1.42Å | Aromatic |
| C55 | C56 | doub | 1.38Å | 1.40Å | Aromatic |
| C58 | N57 | doub | 1.32Å | 1.33Å | Aromatic |
| C58 | C59 | sing | 1.51Å | 1.54Å | |
| C56 | N57 | sing | 1.32Å | 1.34Å | Aromatic |
| C59 | C60 | sing | 1.53Å | 1.53Å | |
| C59 | O61 | sing | 1.43Å | 1.40Å | |
| O61 | C62 | sing | 1.43Å | 1.42Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C02 | H022 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C06 | H062 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C08 | H083 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| C09 | H093 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.08Å | 1.08Å | |
| C28 | H281 | sing | 1.08Å | 1.08Å | |
| C30 | H301 | sing | 1.08Å | 1.08Å | |
| C32 | H321 | sing | 1.08Å | 1.08Å | |
| C33 | H331 | sing | 1.08Å | 1.08Å | |
| C36 | H361 | sing | 1.08Å | 1.08Å | |
| C40 | H401 | sing | 1.09Å | 1.10Å | |
| C41 | H411 | sing | 1.09Å | 1.10Å | |
| C42 | H421 | sing | 1.09Å | 1.10Å | |
| C42 | H422 | sing | 1.09Å | 1.10Å | |
| C42 | H423 | sing | 1.09Å | 1.10Å | |
| C43 | H432 | sing | 1.09Å | 1.10Å | |
| C43 | H433 | sing | 1.09Å | 1.10Å | |
| C43 | H431 | sing | 1.09Å | 1.10Å | |
| C45 | H452 | sing | 1.09Å | 1.10Å | |
| C45 | H453 | sing | 1.09Å | 1.10Å | |
| C45 | H451 | sing | 1.09Å | 1.10Å | |
| C49 | H491 | sing | 1.09Å | 1.10Å | |
| C49 | H492 | sing | 1.09Å | 1.10Å | |
| C50 | H502 | sing | 1.09Å | 1.10Å | |
| C50 | H501 | sing | 1.09Å | 1.10Å | |
| C54 | H541 | sing | 1.08Å | 1.08Å | |
| C55 | H551 | sing | 1.08Å | 1.08Å | |
| C56 | H561 | sing | 1.08Å | 1.08Å | |
| C59 | H591 | sing | 1.09Å | 1.10Å | |
| C60 | H603 | sing | 1.09Å | 1.10Å | |
| C60 | H601 | sing | 1.09Å | 1.10Å | |
| C60 | H602 | sing | 1.09Å | 1.10Å | |
| C62 | H623 | sing | 1.09Å | 1.10Å | |
| C62 | H621 | sing | 1.09Å | 1.10Å | |
| C62 | H622 | sing | 1.09Å | 1.10Å | |
| N19 | H191 | sing | 1.01Å | 1.00Å | |
| N37 | H371 | sing | 0.97Å | 1.00Å | |
| O27 | H271 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O47 | C46 | C48 | 119.6° | 120.0° |
| O47 | C46 | N44 | 120.0° | 120.0° |
| C42 | C41 | C43 | 111.3° | 109.4° |
| C42 | C41 | C40 | 110.4° | 109.5° |
| C42 | C41 | H411 | 108.1° | 109.5° |
| C41 | C42 | H421 | 109.5° | 109.5° |
| C41 | C42 | H422 | 109.4° | 109.5° |
| C41 | C42 | H423 | 109.5° | 109.5° |
| C43 | C41 | C40 | 110.5° | 109.5° |
| C43 | C41 | H411 | 108.1° | 109.5° |
| C41 | C43 | H432 | 109.5° | 109.5° |
| C41 | C43 | H433 | 109.5° | 109.5° |
| C41 | C43 | H431 | 109.5° | 109.5° |
| C48 | C50 | C49 | 60.1° | 60.0° |
| C50 | C48 | C46 | 116.2° | 117.5° |
| C50 | C48 | C51 | 115.3° | 117.5° |
| C50 | C48 | C49 | 60.0° | 60.0° |
| C48 | C50 | H502 | 120.0° | 117.5° |
| C48 | C50 | H501 | 120.0° | 117.5° |
| C50 | C49 | C48 | 59.9° | 60.0° |
| C50 | C49 | H491 | 120.0° | 117.5° |
| C50 | C49 | H492 | 120.0° | 117.5° |
| C49 | C50 | H502 | 120.0° | 117.5° |
| C49 | C50 | H501 | 120.0° | 117.5° |
| C48 | C46 | N44 | 120.3° | 120.0° |
| C46 | C48 | C51 | 118.5° | 115.5° |
| C46 | C48 | C49 | 116.8° | 117.5° |
| C46 | N44 | C40 | 118.9° | 120.0° |
| C46 | N44 | C45 | 120.7° | 120.0° |
| C41 | C40 | N44 | 112.2° | 109.5° |
| C41 | C40 | C38 | 110.4° | 109.5° |
| C41 | C40 | H401 | 108.6° | 109.5° |
| C40 | C41 | H411 | 108.3° | 109.5° |
| O21 | C20 | C22 | 121.6° | 120.3° |
| O21 | C20 | N18 | 122.0° | 120.3° |
| N44 | C40 | C38 | 107.4° | 109.5° |
| C40 | N44 | C45 | 120.5° | 120.0° |
| N44 | C40 | H401 | 109.5° | 109.5° |
| C40 | C38 | N37 | 118.0° | 120.0° |
| C40 | C38 | O39 | 120.8° | 120.0° |
| C38 | C40 | H401 | 108.6° | 109.5° |
| C51 | C48 | C49 | 116.8° | 117.5° |
| C48 | C51 | N52 | 178.2° | 179.9° |
| C48 | C49 | H491 | 120.0° | 117.6° |
| C48 | C49 | H492 | 120.0° | 117.5° |
| N44 | C45 | H452 | 109.5° | 109.5° |
| N44 | C45 | H453 | 109.5° | 109.4° |
| N44 | C45 | H451 | 109.5° | 109.4° |
| C38 | N37 | C22 | 119.6° | 120.0° |
| N37 | C38 | O39 | 121.2° | 120.0° |
| C38 | N37 | H371 | 120.2° | 120.0° |
| N37 | C22 | C20 | 110.6° | 109.4° |
| N37 | C22 | C23 | 108.4° | 109.3° |
| N37 | C22 | H221 | 109.8° | 109.4° |
| C22 | N37 | H371 | 120.2° | 120.0° |
| C22 | C20 | N18 | 116.4° | 119.4° |
| C20 | C22 | C23 | 110.6° | 109.9° |
| C20 | C22 | H221 | 108.9° | 109.4° |
| C20 | N18 | C17 | 128.0° | 120.8° |
| C20 | N18 | N19 | 122.1° | 119.8° |
| C22 | C23 | C24 | 110.1° | 109.2° |
| C23 | C22 | H221 | 108.6° | 109.4° |
| C22 | C23 | H232 | 109.3° | 109.5° |
| C22 | C23 | H231 | 109.3° | 109.6° |
| C23 | C24 | C25 | 119.3° | 120.1° |
| C23 | C24 | C30 | 120.5° | 119.7° |
| C24 | C23 | H232 | 109.3° | 109.5° |
| C24 | C23 | H231 | 109.3° | 109.5° |
| N18 | C17 | C16 | 110.2° | 108.2° |
| C17 | N18 | N19 | 109.8° | 119.4° |
| N18 | C17 | H171 | 109.3° | 109.7° |
| N18 | C17 | H172 | 109.3° | 109.7° |
| C17 | C16 | C15 | 114.0° | 110.9° |
| C17 | C16 | H162 | 108.3° | 109.2° |
| C17 | C16 | H161 | 108.3° | 109.2° |
| C16 | C17 | H171 | 109.3° | 109.7° |
| C16 | C17 | H172 | 109.3° | 109.7° |
| N18 | N19 | C14 | 108.0° | 110.6° |
| N18 | N19 | H191 | 109.9° | 111.0° |
| C16 | C15 | C14 | 113.5° | 111.8° |
| C16 | C15 | H152 | 108.5° | 109.0° |
| C16 | C15 | H151 | 108.4° | 109.0° |
| C15 | C16 | H162 | 108.3° | 109.2° |
| C15 | C16 | H161 | 108.3° | 109.2° |
| C25 | C24 | C30 | 120.2° | 120.2° |
| C24 | C25 | C26 | 120.0° | 120.3° |
| C24 | C25 | H251 | 120.0° | 119.9° |
| C24 | C30 | C29 | 119.9° | 120.0° |
| C24 | C30 | H301 | 120.1° | 120.0° |
| C25 | C26 | O27 | 120.2° | 120.1° |
| C25 | C26 | C28 | 119.8° | 120.0° |
| C26 | C25 | H251 | 120.0° | 119.9° |
| N19 | C14 | C15 | 111.6° | 109.8° |
| N19 | C14 | C12 | 106.8° | 108.8° |
| N19 | C14 | H141 | 108.9° | 109.4° |
| C14 | N19 | H191 | 109.8° | 111.0° |
| C30 | C29 | C28 | 119.7° | 119.7° |
| C30 | C29 | C31 | 120.7° | 120.6° |
| C29 | C30 | H301 | 120.1° | 120.0° |
| O27 | C26 | C28 | 120.0° | 120.0° |
| C26 | O27 | H271 | 109.5° | 114.1° |
| C26 | C28 | C29 | 120.4° | 119.9° |
| C26 | C28 | H281 | 119.8° | 120.1° |
| C15 | C14 | C12 | 112.2° | 110.0° |
| C15 | C14 | H141 | 109.4° | 109.8° |
| C14 | C15 | H152 | 108.4° | 109.0° |
| C14 | C15 | H151 | 108.5° | 109.0° |
| C14 | C12 | O11 | 119.3° | 119.6° |
| C14 | C12 | O13 | 120.4° | 120.2° |
| C12 | C14 | H141 | 107.8° | 109.1° |
| C28 | C29 | C31 | 119.6° | 119.7° |
| C29 | C28 | H281 | 119.8° | 120.1° |
| C29 | C31 | C36 | 120.9° | 120.6° |
| C29 | C31 | C32 | 119.4° | 119.3° |
| O11 | C12 | O13 | 120.3° | 120.2° |
| C12 | O11 | C10 | 114.6° | 117.0° |
| C36 | C31 | C32 | 119.7° | 120.0° |
| C31 | C36 | C35 | 120.2° | 119.4° |
| C31 | C36 | H361 | 119.9° | 120.3° |
| C31 | C32 | C33 | 120.2° | 120.7° |
| C31 | C32 | H321 | 119.9° | 119.6° |
| C36 | C35 | C05 | 134.7° | 133.8° |
| C36 | C35 | C34 | 119.6° | 119.9° |
| C35 | C36 | H361 | 119.9° | 120.3° |
| O11 | C10 | C07 | 105.6° | 109.5° |
| O11 | C10 | H101 | 110.4° | 109.4° |
| O11 | C10 | H102 | 110.4° | 109.5° |
| C32 | C33 | C34 | 120.1° | 120.3° |
| C33 | C32 | H321 | 119.9° | 119.7° |
| C32 | C33 | H331 | 120.0° | 119.8° |
| C05 | C35 | C34 | 105.8° | 106.3° |
| C35 | C05 | C06 | 127.0° | 126.7° |
| C35 | C05 | C04 | 107.0° | 106.9° |
| C35 | C34 | C33 | 120.4° | 119.5° |
| C35 | C34 | N03 | 109.0° | 107.4° |
| C05 | C06 | C07 | 116.8° | 109.6° |
| C06 | C05 | C04 | 126.0° | 126.3° |
| C05 | C06 | H062 | 107.6° | 109.5° |
| C05 | C06 | H061 | 107.6° | 109.4° |
| C06 | C07 | C09 | 106.9° | 109.4° |
| C06 | C07 | C10 | 109.2° | 109.6° |
| C06 | C07 | C08 | 112.0° | 109.5° |
| C07 | C06 | H062 | 107.6° | 109.5° |
| C07 | C06 | H061 | 107.6° | 109.4° |
| C09 | C07 | C10 | 108.1° | 109.4° |
| C09 | C07 | C08 | 110.0° | 109.4° |
| C07 | C09 | H091 | 109.5° | 109.5° |
| C07 | C09 | H092 | 109.5° | 109.5° |
| C07 | C09 | H093 | 109.5° | 109.4° |
| C33 | C34 | N03 | 130.6° | 133.0° |
| C34 | C33 | H331 | 120.0° | 119.9° |
| C10 | C07 | C08 | 110.5° | 109.5° |
| C07 | C10 | H101 | 110.4° | 109.5° |
| C07 | C10 | H102 | 110.4° | 109.5° |
| C05 | C04 | N03 | 107.8° | 109.6° |
| C05 | C04 | C53 | 125.8° | 125.2° |
| C34 | N03 | C04 | 110.5° | 109.7° |
| C34 | N03 | C02 | 123.8° | 125.1° |
| C07 | C08 | H083 | 109.5° | 109.4° |
| C07 | C08 | H081 | 109.4° | 109.4° |
| C07 | C08 | H082 | 109.5° | 109.4° |
| N03 | C04 | C53 | 126.5° | 125.2° |
| C04 | N03 | C02 | 125.7° | 125.1° |
| C04 | C53 | C54 | 118.1° | 120.6° |
| C04 | C53 | C58 | 122.2° | 120.5° |
| N03 | C02 | C01 | 108.1° | 109.5° |
| N03 | C02 | H022 | 109.8° | 109.4° |
| N03 | C02 | H021 | 109.8° | 109.4° |
| C53 | C54 | C55 | 118.1° | 118.3° |
| C54 | C53 | C58 | 119.7° | 118.9° |
| C53 | C54 | H541 | 121.0° | 120.9° |
| C54 | C55 | C56 | 119.5° | 119.3° |
| C55 | C54 | H541 | 121.0° | 120.9° |
| C54 | C55 | H551 | 120.3° | 120.4° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C01 | C02 | H022 | 109.8° | 109.5° |
| C01 | C02 | H021 | 109.8° | 109.5° |
| C53 | C58 | N57 | 120.0° | 120.5° |
| C53 | C58 | C59 | 122.7° | 119.8° |
| C55 | C56 | N57 | 121.0° | 121.1° |
| C56 | C55 | H551 | 120.2° | 120.4° |
| C55 | C56 | H561 | 119.4° | 119.4° |
| N57 | C58 | C59 | 117.3° | 119.7° |
| C58 | N57 | C56 | 121.8° | 121.9° |
| C58 | C59 | C60 | 109.6° | 109.5° |
| C58 | C59 | O61 | 108.5° | 109.5° |
| C58 | C59 | H591 | 109.3° | 109.4° |
| N57 | C56 | H561 | 119.5° | 119.5° |
| C60 | C59 | O61 | 108.8° | 109.5° |
| C60 | C59 | H591 | 109.4° | 109.5° |
| C59 | C60 | H603 | 109.5° | 109.5° |
| C59 | C60 | H601 | 109.5° | 109.5° |
| C59 | C60 | H602 | 109.5° | 109.5° |
| C59 | O61 | C62 | 115.0° | 114.0° |
| O61 | C59 | H591 | 111.3° | 109.5° |
| O61 | C62 | H623 | 109.5° | 109.5° |
| O61 | C62 | H621 | 109.5° | 109.4° |
| O61 | C62 | H622 | 109.4° | 109.5° |
| H013 | C01 | H012 | 109.5° | 109.4° |
| H013 | C01 | H011 | 109.5° | 109.5° |
| H012 | C01 | H011 | 109.4° | 109.5° |
| H022 | C02 | H021 | 109.5° | 109.5° |
| H062 | C06 | H061 | 109.5° | 109.4° |
| H083 | C08 | H081 | 109.4° | 109.5° |
| H083 | C08 | H082 | 109.5° | 109.5° |
| H081 | C08 | H082 | 109.5° | 109.5° |
| H091 | C09 | H092 | 109.4° | 109.5° |
| H091 | C09 | H093 | 109.5° | 109.5° |
| H092 | C09 | H093 | 109.4° | 109.5° |
| H101 | C10 | H102 | 109.5° | 109.5° |
| H152 | C15 | H151 | 109.5° | 109.0° |
| H162 | C16 | H161 | 109.5° | 109.2° |
| H171 | C17 | H172 | 109.4° | 109.8° |
| H232 | C23 | H231 | 109.5° | 109.6° |
| H421 | C42 | H422 | 109.5° | 109.5° |
| H421 | C42 | H423 | 109.5° | 109.4° |
| H422 | C42 | H423 | 109.4° | 109.4° |
| H432 | C43 | H433 | 109.4° | 109.5° |
| H432 | C43 | H431 | 109.5° | 109.4° |
| H433 | C43 | H431 | 109.4° | 109.5° |
| H452 | C45 | H453 | 109.4° | 109.5° |
| H452 | C45 | H451 | 109.4° | 109.5° |
| H453 | C45 | H451 | 109.5° | 109.5° |
| H491 | C49 | H492 | 109.5° | 115.5° |
| H502 | C50 | H501 | 109.5° | 115.6° |
| H603 | C60 | H601 | 109.4° | 109.5° |
| H603 | C60 | H602 | 109.4° | 109.4° |
| H601 | C60 | H602 | 109.5° | 109.5° |
| H623 | C62 | H621 | 109.4° | 109.5° |
| H623 | C62 | H622 | 109.5° | 109.5° |
| H621 | C62 | H622 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O47 | C46 | C48 | C50 | 16.4° | 100.1° |
| O47 | C46 | C48 | N44 | 178.9° | 180.0° |
| O47 | C46 | N44 | C40 | 0.7° | 173.0° |
| O47 | C46 | C48 | C51 | 127.6° | 114.3° |
| O47 | C46 | C48 | C49 | 84.3° | 31.5° |
| O47 | C46 | N44 | C45 | 179.9° | 6.9° |
| C42 | C41 | C43 | C40 | 123.0° | 120.0° |
| C42 | C41 | C43 | H411 | 118.6° | 120.0° |
| C42 | C41 | C40 | H411 | 118.2° | 120.0° |
| C42 | C41 | C40 | N44 | 51.8° | 67.3° |
| C42 | C41 | C40 | C38 | 171.5° | 52.7° |
| C42 | C41 | C40 | H401 | 69.5° | 172.7° |
| C41 | C42 | H421 | H422 | 120.0° | 120.1° |
| C41 | C42 | H421 | H423 | 120.0° | 120.0° |
| C41 | C42 | H422 | H423 | 120.0° | 120.0° |
| C42 | C41 | C43 | H432 | 180.0° | 65.0° |
| C42 | C41 | C43 | H433 | 60.0° | 55.0° |
| C42 | C41 | C43 | H431 | 60.0° | 175.0° |
| C43 | C41 | C40 | H411 | 118.3° | 120.0° |
| C43 | C41 | C40 | N44 | 175.3° | 172.8° |
| C43 | C41 | C40 | C38 | 64.9° | 67.2° |
| C43 | C41 | C40 | H401 | 54.1° | 52.8° |
| C43 | C41 | C42 | H421 | 180.0° | 61.0° |
| C43 | C41 | C42 | H422 | 60.0° | 59.0° |
| C43 | C41 | C42 | H423 | 60.0° | 179.0° |
| C41 | C43 | H432 | H433 | 120.0° | 120.1° |
| C41 | C43 | H432 | H431 | 120.0° | 120.0° |
| C41 | C43 | H433 | H431 | 120.0° | 120.0° |
| C48 | C50 | C49 | H502 | 109.5° | 107.4° |
| C48 | C50 | C49 | H501 | 109.5° | 107.5° |
| C50 | C48 | C46 | C51 | 144.0° | 145.6° |
| C50 | C48 | C46 | C49 | 67.9° | 68.7° |
| C50 | C48 | C46 | N44 | 164.6° | 79.8° |
| C50 | C48 | C51 | C49 | 67.6° | 68.7° |
| C50 | C48 | C51 | N52 | 146.2° | 106.3° |
| C48 | C50 | C49 | H491 | 109.4° | 107.6° |
| C48 | C50 | C49 | H492 | 109.4° | 107.5° |
| C48 | C50 | H502 | H501 | 144.7° | 145.7° |
| C50 | C49 | H491 | H492 | 144.8° | 145.6° |
| C49 | C50 | H502 | H501 | 144.7° | 145.8° |
| C48 | C46 | N44 | C40 | 179.7° | 7.0° |
| C46 | C48 | C51 | C49 | 148.1° | 145.8° |
| C46 | C48 | C51 | N52 | 1.9° | 108.1° |
| C48 | C46 | N44 | C45 | 1.2° | 173.1° |
| C46 | C48 | C49 | H491 | 144.3° | 0.0° |
| C46 | C48 | C49 | H492 | 3.3° | 145.1° |
| C46 | C48 | C50 | H502 | 143.3° | 145.0° |
| C46 | C48 | C50 | H501 | 2.3° | 0.0° |
| C46 | N44 | C40 | C41 | 138.9° | 116.5° |
| C46 | N44 | C40 | C45 | 179.2° | 179.9° |
| C46 | N44 | C40 | C38 | 99.6° | 123.5° |
| N44 | C46 | C48 | C51 | 51.4° | 65.8° |
| N44 | C46 | C48 | C49 | 96.7° | 148.5° |
| C46 | N44 | C40 | H401 | 18.1° | 3.5° |
| C46 | N44 | C45 | H452 | 180.0° | 84.3° |
| C46 | N44 | C45 | H453 | 60.0° | 35.7° |
| C46 | N44 | C45 | H451 | 60.0° | 155.6° |
| C41 | C40 | N44 | C38 | 121.5° | 120.0° |
| C41 | C40 | N44 | H401 | 120.8° | 120.0° |
| C41 | C40 | C38 | H401 | 119.0° | 120.0° |
| C41 | C40 | N44 | C45 | 42.0° | 63.5° |
| C41 | C40 | C38 | N37 | 130.7° | 76.3° |
| C41 | C40 | C38 | O39 | 49.9° | 103.7° |
| C40 | C41 | C42 | H421 | 56.9° | 58.9° |
| C40 | C41 | C42 | H422 | 176.9° | 179.0° |
| C40 | C41 | C42 | H423 | 63.1° | 61.0° |
| C40 | C41 | C43 | H432 | 57.0° | 175.0° |
| C40 | C41 | C43 | H433 | 63.0° | 65.0° |
| C40 | C41 | C43 | H431 | 177.0° | 55.0° |
| O21 | C20 | C22 | N37 | 23.1° | 123.3° |
| O21 | C20 | C22 | N18 | 179.1° | 179.9° |
| O21 | C20 | C22 | C23 | 96.9° | 3.3° |
| O21 | C20 | N18 | C17 | 2.1° | 0.4° |
| O21 | C20 | N18 | N19 | 179.7° | 179.4° |
| O21 | C20 | C22 | H221 | 143.9° | 116.9° |
| N44 | C40 | C38 | H401 | 118.4° | 120.0° |
| N44 | C40 | C38 | N37 | 106.7° | 163.7° |
| N44 | C40 | C38 | O39 | 72.8° | 16.4° |
| N44 | C40 | C41 | H411 | 66.4° | 52.8° |
| C40 | N44 | C45 | H452 | 0.8° | 95.6° |
| C40 | N44 | C45 | H453 | 120.9° | 144.4° |
| C40 | N44 | C45 | H451 | 119.1° | 24.5° |
| C38 | C40 | N44 | C45 | 79.5° | 56.6° |
| C40 | C38 | N37 | O39 | 179.5° | 180.0° |
| C40 | C38 | N37 | C22 | 179.4° | 177.3° |
| C38 | C40 | C41 | H411 | 53.3° | 172.8° |
| C40 | C38 | N37 | H371 | 0.6° | 2.6° |
| C51 | C48 | C49 | H491 | 4.3° | 145.1° |
| C51 | C48 | C49 | H492 | 145.4° | 0.0° |
| C51 | C48 | C50 | H502 | 1.8° | 0.0° |
| C51 | C48 | C50 | H501 | 142.9° | 144.9° |
| C49 | C48 | C51 | N52 | 146.2° | 37.7° |
| C48 | C49 | H491 | H492 | 144.7° | 145.8° |
| C45 | N44 | C40 | H401 | 162.7° | 176.5° |
| N44 | C45 | H452 | H453 | 120.0° | 120.0° |
| N44 | C45 | H452 | H451 | 120.0° | 120.0° |
| N44 | C45 | H453 | H451 | 120.0° | 119.9° |
| C38 | N37 | C22 | H371 | 180.0° | 179.9° |
| C38 | N37 | C22 | C20 | 108.4° | 54.5° |
| C38 | N37 | C22 | C23 | 130.3° | 65.9° |
| C38 | N37 | C22 | H221 | 11.8° | 174.3° |
| N37 | C38 | C40 | H401 | 11.6° | 43.7° |
| C22 | N37 | C38 | O39 | 0.0° | 2.7° |
| N37 | C22 | C20 | C23 | 120.0° | 120.0° |
| N37 | C22 | C20 | H221 | 120.8° | 119.8° |
| N37 | C22 | C20 | N18 | 155.9° | 56.8° |
| N37 | C22 | C23 | H221 | 119.3° | 119.8° |
| N37 | C22 | C23 | C24 | 92.9° | 76.9° |
| N37 | C22 | C23 | H232 | 27.1° | 43.0° |
| N37 | C22 | C23 | H231 | 147.0° | 163.2° |
| O39 | C38 | C40 | H401 | 168.9° | 136.3° |
| O39 | C38 | N37 | H371 | 180.0° | 177.4° |
| C20 | C22 | C23 | H221 | 119.4° | 120.1° |
| C20 | C22 | C23 | C24 | 145.7° | 163.1° |
| C22 | C20 | N18 | C17 | 178.8° | 179.7° |
| C22 | C20 | N18 | N19 | 1.3° | 0.6° |
| C20 | C22 | C23 | H232 | 94.2° | 77.1° |
| C20 | C22 | C23 | H231 | 25.7° | 43.2° |
| C20 | C22 | N37 | H371 | 71.6° | 125.4° |
| N18 | C20 | C22 | C23 | 84.1° | 176.8° |
| C20 | N18 | C17 | N19 | 177.8° | 179.8° |
| C20 | N18 | C17 | C16 | 122.2° | 151.0° |
| C20 | N18 | N19 | C14 | 116.6° | 148.3° |
| C20 | N18 | C17 | H171 | 2.1° | 31.3° |
| C20 | N18 | C17 | H172 | 117.7° | 89.3° |
| N18 | C20 | C22 | H221 | 35.2° | 63.0° |
| C20 | N18 | N19 | H191 | 123.6° | 88.0° |
| C22 | C23 | C24 | H232 | 120.1° | 119.9° |
| C22 | C23 | C24 | H231 | 120.1° | 120.0° |
| C22 | C23 | C24 | C25 | 55.1° | 173.9° |
| C22 | C23 | C24 | C30 | 124.5° | 6.2° |
| C22 | C23 | H232 | H231 | 119.7° | 120.2° |
| C23 | C22 | N37 | H371 | 49.7° | 114.2° |
| C23 | C24 | C25 | C30 | 179.5° | 179.9° |
| C23 | C24 | C25 | C26 | 179.6° | 179.9° |
| C23 | C24 | C30 | C29 | 179.8° | 179.9° |
| C24 | C23 | C22 | H221 | 26.3° | 43.0° |
| C24 | C23 | H232 | H231 | 119.7° | 120.1° |
| C23 | C24 | C25 | H251 | 0.4° | 0.1° |
| C23 | C24 | C30 | H301 | 0.2° | 0.0° |
| N18 | C17 | C16 | H171 | 120.1° | 119.7° |
| N18 | C17 | C16 | H172 | 120.1° | 119.7° |
| N18 | C17 | C16 | C15 | 48.9° | 57.5° |
| C17 | N18 | N19 | C14 | 61.3° | 31.4° |
| N18 | C17 | C16 | H162 | 71.7° | 62.9° |
| N18 | C17 | C16 | H161 | 169.6° | 177.8° |
| N18 | C17 | H171 | H172 | 119.7° | 120.6° |
| C17 | N18 | N19 | H191 | 58.4° | 92.2° |
| C16 | C17 | N18 | N19 | 55.6° | 29.2° |
| C17 | C16 | C15 | H162 | 120.7° | 120.4° |
| C17 | C16 | C15 | H161 | 120.7° | 120.3° |
| C17 | C16 | C15 | C14 | 48.8° | 25.0° |
| C17 | C16 | C15 | H152 | 169.4° | 145.6° |
| C17 | C16 | C15 | H151 | 71.8° | 95.6° |
| C17 | C16 | H162 | H161 | 117.9° | 119.3° |
| C16 | C17 | H171 | H172 | 119.6° | 120.6° |
| N18 | N19 | C14 | H191 | 119.8° | 123.7° |
| N18 | N19 | C14 | C15 | 60.6° | 65.3° |
| N18 | N19 | C14 | C12 | 176.4° | 174.3° |
| N18 | N19 | C14 | H141 | 60.2° | 55.2° |
| N19 | N18 | C17 | H171 | 175.7° | 148.9° |
| N19 | N18 | C17 | H172 | 64.5° | 90.4° |
| C16 | C15 | C14 | N19 | 54.7° | 34.1° |
| C16 | C15 | C14 | H152 | 120.6° | 120.6° |
| C16 | C15 | C14 | H151 | 120.6° | 120.5° |
| C16 | C15 | C14 | C12 | 174.5° | 153.8° |
| C16 | C15 | C14 | H141 | 65.9° | 86.1° |
| C16 | C15 | H152 | H151 | 118.2° | 118.8° |
| C15 | C16 | H162 | H161 | 117.9° | 119.3° |
| C15 | C16 | C17 | H171 | 169.1° | 177.2° |
| C15 | C16 | C17 | H172 | 71.2° | 62.2° |
| C24 | C25 | C26 | H251 | 180.0° | 180.0° |
| C25 | C24 | C30 | C29 | 0.3° | 0.0° |
| C24 | C25 | C26 | O27 | 180.0° | 180.0° |
| C24 | C25 | C26 | C28 | 0.0° | 0.1° |
| C25 | C24 | C23 | H232 | 65.0° | 54.0° |
| C25 | C24 | C23 | H231 | 175.1° | 66.2° |
| C25 | C24 | C30 | H301 | 179.7° | 179.9° |
| C30 | C24 | C25 | C26 | 0.1° | 0.2° |
| C24 | C30 | C29 | H301 | 180.0° | 179.9° |
| C24 | C30 | C29 | C28 | 0.5° | 0.3° |
| C24 | C30 | C29 | C31 | 179.9° | 180.0° |
| C30 | C24 | C23 | H232 | 115.4° | 126.1° |
| C30 | C24 | C23 | H231 | 4.4° | 113.7° |
| C30 | C24 | C25 | H251 | 179.9° | 179.8° |
| C25 | C26 | O27 | C28 | 180.0° | 179.9° |
| C25 | C26 | C28 | C29 | 0.2° | 0.2° |
| C25 | C26 | C28 | H281 | 179.8° | 179.8° |
| C25 | C26 | O27 | H271 | 180.0° | 89.9° |
| N19 | C14 | C15 | C12 | 119.8° | 119.6° |
| N19 | C14 | C15 | H141 | 120.6° | 120.3° |
| N19 | C14 | C12 | H141 | 116.9° | 119.2° |
| N19 | C14 | C12 | O11 | 177.4° | 37.7° |
| N19 | C14 | C12 | O13 | 1.4° | 142.3° |
| N19 | C14 | C15 | H152 | 175.3° | 86.4° |
| N19 | C14 | C15 | H151 | 65.9° | 154.7° |
| C30 | C29 | C28 | C26 | 0.4° | 0.4° |
| C30 | C29 | C28 | C31 | 179.5° | 179.7° |
| C30 | C29 | C31 | C36 | 22.4° | 4.5° |
| C30 | C29 | C31 | C32 | 157.7° | 175.5° |
| C30 | C29 | C28 | H281 | 179.6° | 179.7° |
| O27 | C26 | C28 | C29 | 179.8° | 179.7° |
| O27 | C26 | C25 | H251 | 0.0° | 0.0° |
| O27 | C26 | C28 | H281 | 0.2° | 0.2° |
| C26 | C28 | C29 | H281 | 180.0° | 179.9° |
| C26 | C28 | C29 | C31 | 179.9° | 179.9° |
| C28 | C26 | C25 | H251 | 179.9° | 180.0° |
| C28 | C26 | O27 | H271 | 0.0° | 90.0° |
| C15 | C14 | C12 | H141 | 120.5° | 120.5° |
| C15 | C14 | C12 | O11 | 60.0° | 158.0° |
| C15 | C14 | C12 | O13 | 121.2° | 22.0° |
| C14 | C15 | H152 | H151 | 118.2° | 118.9° |
| C14 | C15 | C16 | H162 | 71.9° | 95.4° |
| C14 | C15 | C16 | H161 | 169.4° | 145.3° |
| C15 | C14 | N19 | H191 | 59.2° | 58.3° |
| C14 | C12 | O11 | O13 | 178.8° | 180.0° |
| C14 | C12 | O11 | C10 | 158.1° | 179.3° |
| C12 | C14 | C15 | H152 | 64.9° | 33.2° |
| C12 | C14 | C15 | H151 | 53.9° | 85.7° |
| C12 | C14 | N19 | H191 | 63.8° | 62.1° |
| C28 | C29 | C31 | C36 | 157.0° | 175.8° |
| C28 | C29 | C31 | C32 | 22.8° | 4.2° |
| C28 | C29 | C30 | H301 | 179.6° | 179.8° |
| C29 | C31 | C36 | C32 | 179.8° | 180.0° |
| C29 | C31 | C36 | C35 | 179.8° | 179.6° |
| C29 | C31 | C32 | C33 | 179.8° | 179.7° |
| C31 | C29 | C28 | H281 | 0.1° | 0.1° |
| C31 | C29 | C30 | H301 | 0.1° | 0.0° |
| C29 | C31 | C32 | H321 | 0.2° | 0.3° |
| C29 | C31 | C36 | H361 | 0.2° | 0.4° |
| C12 | O11 | C10 | C07 | 171.0° | 175.0° |
| C12 | O11 | C10 | H101 | 51.7° | 55.0° |
| C12 | O11 | C10 | H102 | 69.6° | 65.0° |
| O11 | C12 | C14 | H141 | 60.5° | 81.5° |
| O13 | C12 | O11 | C10 | 23.1° | 0.8° |
| O13 | C12 | C14 | H141 | 118.3° | 98.5° |
| C31 | C36 | C35 | H361 | 180.0° | 180.0° |
| C36 | C31 | C32 | C33 | 0.1° | 0.3° |
| C31 | C36 | C35 | C05 | 179.7° | 178.8° |
| C31 | C36 | C35 | C34 | 0.0° | 1.3° |
| C36 | C31 | C32 | H321 | 179.9° | 179.7° |
| C32 | C31 | C36 | C35 | 0.0° | 0.4° |
| C31 | C32 | C33 | H321 | 180.0° | 180.0° |
| C31 | C32 | C33 | C34 | 0.0° | 0.1° |
| C31 | C32 | C33 | H331 | 180.0° | 179.9° |
| C32 | C31 | C36 | H361 | 180.0° | 179.6° |
| C36 | C35 | C05 | C34 | 179.7° | 179.9° |
| C36 | C35 | C05 | C06 | 1.2° | 1.0° |
| C36 | C35 | C34 | C33 | 0.0° | 1.5° |
| C36 | C35 | C05 | C04 | 180.0° | 178.9° |
| C36 | C35 | C34 | N03 | 179.9° | 178.6° |
| O11 | C10 | C07 | C06 | 57.4° | 83.1° |
| O11 | C10 | C07 | C09 | 58.6° | 156.9° |
| O11 | C10 | C07 | H101 | 119.4° | 119.9° |
| O11 | C10 | C07 | H102 | 119.4° | 120.0° |
| O11 | C10 | C07 | C08 | 179.0° | 37.0° |
| O11 | C10 | H101 | H102 | 121.8° | 119.9° |
| C32 | C33 | C34 | C35 | 0.0° | 0.8° |
| C32 | C33 | C34 | H331 | 180.0° | 180.0° |
| C32 | C33 | C34 | N03 | 179.9° | 179.3° |
| C35 | C05 | C06 | C04 | 178.6° | 180.0° |
| C35 | C05 | C06 | C07 | 87.0° | 76.4° |
| C05 | C35 | C34 | C33 | 179.8° | 178.6° |
| C05 | C35 | C34 | N03 | 0.2° | 1.3° |
| C35 | C05 | C04 | N03 | 0.4° | 0.2° |
| C35 | C05 | C04 | C53 | 179.7° | 179.4° |
| C35 | C05 | C06 | H062 | 151.9° | 163.5° |
| C35 | C05 | C06 | H061 | 34.0° | 43.6° |
| C05 | C35 | C36 | H361 | 0.4° | 1.2° |
| C34 | C35 | C05 | C06 | 179.1° | 179.1° |
| C35 | C34 | C33 | N03 | 179.9° | 179.9° |
| C34 | C35 | C05 | C04 | 0.3° | 1.0° |
| C35 | C34 | N03 | C04 | 0.0° | 1.2° |
| C35 | C34 | N03 | C02 | 179.5° | 178.6° |
| C35 | C34 | C33 | H331 | 180.0° | 179.2° |
| C34 | C35 | C36 | H361 | 180.0° | 178.7° |
| C05 | C06 | C07 | H062 | 121.1° | 120.1° |
| C05 | C06 | C07 | H061 | 121.0° | 120.0° |
| C05 | C06 | C07 | C09 | 177.6° | 67.5° |
| C05 | C06 | C07 | C10 | 65.7° | 172.6° |
| C05 | C06 | C07 | C08 | 57.0° | 52.5° |
| C06 | C05 | C04 | N03 | 179.2° | 179.8° |
| C06 | C05 | C04 | C53 | 0.9° | 0.5° |
| C05 | C06 | H062 | H061 | 116.7° | 119.9° |
| C06 | C07 | C09 | C10 | 117.4° | 120.1° |
| C06 | C07 | C09 | C08 | 121.8° | 120.0° |
| C06 | C07 | C10 | C08 | 123.6° | 120.1° |
| C07 | C06 | C05 | C04 | 94.4° | 103.5° |
| C07 | C06 | H062 | H061 | 116.7° | 120.0° |
| C06 | C07 | C08 | H083 | 180.0° | 64.2° |
| C06 | C07 | C08 | H081 | 60.0° | 175.8° |
| C06 | C07 | C08 | H082 | 60.0° | 55.8° |
| C06 | C07 | C09 | H091 | 180.0° | 63.1° |
| C06 | C07 | C09 | H092 | 60.0° | 176.9° |
| C06 | C07 | C09 | H093 | 60.0° | 56.9° |
| C06 | C07 | C10 | H101 | 176.7° | 157.0° |
| C06 | C07 | C10 | H102 | 62.0° | 36.9° |
| C09 | C07 | C10 | C08 | 120.5° | 119.9° |
| C09 | C07 | C06 | H062 | 56.5° | 52.6° |
| C09 | C07 | C06 | H061 | 61.4° | 172.5° |
| C09 | C07 | C08 | H083 | 61.3° | 55.8° |
| C09 | C07 | C08 | H081 | 178.7° | 64.3° |
| C09 | C07 | C08 | H082 | 58.7° | 175.8° |
| C07 | C09 | H091 | H092 | 120.0° | 120.0° |
| C07 | C09 | H091 | H093 | 120.0° | 120.0° |
| C07 | C09 | H092 | H093 | 120.0° | 120.0° |
| C09 | C07 | C10 | H101 | 60.8° | 37.0° |
| C09 | C07 | C10 | H102 | 178.0° | 83.1° |
| C33 | C34 | N03 | C04 | 180.0° | 178.7° |
| C33 | C34 | N03 | C02 | 0.6° | 1.5° |
| C34 | C33 | C32 | H321 | 180.0° | 179.9° |
| C10 | C07 | C06 | H062 | 173.3° | 67.3° |
| C10 | C07 | C06 | H061 | 55.4° | 52.6° |
| C10 | C07 | C08 | H083 | 58.0° | 175.7° |
| C10 | C07 | C08 | H081 | 61.9° | 55.6° |
| C10 | C07 | C08 | H082 | 178.0° | 64.4° |
| C10 | C07 | C09 | H091 | 62.6° | 57.0° |
| C10 | C07 | C09 | H092 | 177.4° | 63.0° |
| C10 | C07 | C09 | H093 | 57.4° | 177.0° |
| C07 | C10 | H101 | H102 | 121.8° | 120.1° |
| C05 | C04 | N03 | C34 | 0.3° | 0.6° |
| C05 | C04 | N03 | C53 | 179.9° | 179.7° |
| C05 | C04 | N03 | C02 | 179.7° | 179.2° |
| C05 | C04 | C53 | C54 | 69.9° | 91.0° |
| C05 | C04 | C53 | C58 | 109.9° | 89.2° |
| C04 | C05 | C06 | H062 | 26.6° | 16.6° |
| C04 | C05 | C06 | H061 | 144.5° | 136.5° |
| C34 | N03 | C04 | C02 | 179.4° | 179.8° |
| C34 | N03 | C04 | C53 | 179.8° | 179.7° |
| C34 | N03 | C02 | C01 | 86.5° | 89.7° |
| C34 | N03 | C02 | H022 | 153.7° | 150.2° |
| C34 | N03 | C02 | H021 | 33.3° | 30.3° |
| N03 | C34 | C33 | H331 | 0.1° | 0.7° |
| C08 | C07 | C06 | H062 | 64.1° | 172.6° |
| C08 | C07 | C06 | H061 | 178.0° | 67.5° |
| C07 | C08 | H083 | H081 | 120.0° | 120.0° |
| C07 | C08 | H083 | H082 | 120.0° | 119.9° |
| C07 | C08 | H081 | H082 | 120.0° | 119.9° |
| C08 | C07 | C09 | H091 | 58.1° | 177.0° |
| C08 | C07 | C09 | H092 | 61.8° | 56.9° |
| C08 | C07 | C09 | H093 | 178.2° | 63.1° |
| C08 | C07 | C10 | H101 | 59.7° | 82.9° |
| C08 | C07 | C10 | H102 | 61.6° | 157.0° |
| N03 | C04 | C53 | C54 | 110.1° | 88.6° |
| C04 | N03 | C02 | C01 | 92.9° | 90.0° |
| N03 | C04 | C53 | C58 | 70.0° | 91.1° |
| C04 | N03 | C02 | H022 | 26.9° | 30.0° |
| C04 | N03 | C02 | H021 | 147.3° | 150.0° |
| C53 | C04 | N03 | C02 | 0.4° | 0.5° |
| C04 | C53 | C54 | C58 | 179.9° | 179.7° |
| C04 | C53 | C54 | C55 | 179.9° | 180.0° |
| C04 | C53 | C58 | N57 | 179.9° | 179.6° |
| C04 | C53 | C58 | C59 | 0.4° | 0.0° |
| C04 | C53 | C54 | H541 | 0.1° | 0.0° |
| N03 | C02 | C01 | H022 | 119.8° | 120.0° |
| N03 | C02 | C01 | H021 | 119.8° | 119.9° |
| N03 | C02 | C01 | H013 | 180.0° | 60.0° |
| N03 | C02 | C01 | H012 | 60.0° | 59.9° |
| N03 | C02 | C01 | H011 | 60.0° | 180.0° |
| N03 | C02 | H022 | H021 | 120.6° | 119.9° |
| C53 | C54 | C55 | H541 | 180.0° | 179.9° |
| C53 | C54 | C55 | C56 | 0.1° | 0.1° |
| C54 | C53 | C58 | N57 | 0.3° | 0.6° |
| C54 | C53 | C58 | C59 | 179.8° | 179.8° |
| C53 | C54 | C55 | H551 | 179.8° | 180.0° |
| C55 | C54 | C53 | C58 | 0.0° | 0.2° |
| C54 | C55 | C56 | H551 | 180.0° | 179.9° |
| C54 | C55 | C56 | N57 | 0.1° | 0.0° |
| C54 | C55 | C56 | H561 | 179.9° | 180.0° |
| C02 | C01 | H013 | H012 | 120.0° | 120.0° |
| C02 | C01 | H013 | H011 | 120.0° | 120.0° |
| C02 | C01 | H012 | H011 | 120.0° | 120.1° |
| C01 | C02 | H022 | H021 | 120.6° | 120.0° |
| C53 | C58 | N57 | C59 | 179.6° | 179.6° |
| C53 | C58 | N57 | C56 | 0.3° | 0.7° |
| C53 | C58 | C59 | C60 | 129.0° | 108.9° |
| C53 | C58 | C59 | O61 | 112.3° | 131.0° |
| C58 | C53 | C54 | H541 | 180.0° | 179.7° |
| C53 | C58 | C59 | H591 | 9.2° | 11.1° |
| C55 | C56 | N57 | C58 | 0.1° | 0.3° |
| C55 | C56 | N57 | H561 | 180.0° | 180.0° |
| C56 | C55 | C54 | H541 | 179.8° | 180.0° |
| N57 | C58 | C59 | C60 | 51.5° | 71.4° |
| N57 | C58 | C59 | O61 | 67.2° | 48.6° |
| C58 | N57 | C56 | H561 | 179.9° | 179.6° |
| N57 | C58 | C59 | H591 | 171.3° | 168.6° |
| C59 | C58 | N57 | C56 | 179.9° | 179.7° |
| C58 | C59 | C60 | O61 | 118.5° | 120.0° |
| C58 | C59 | C60 | H591 | 119.7° | 119.9° |
| C58 | C59 | O61 | H591 | 120.2° | 119.9° |
| C58 | C59 | O61 | C62 | 152.6° | 150.0° |
| C58 | C59 | C60 | H603 | 180.0° | 65.1° |
| C58 | C59 | C60 | H601 | 60.0° | 55.0° |
| C58 | C59 | C60 | H602 | 60.0° | 175.0° |
| N57 | C56 | C55 | H551 | 179.9° | 179.9° |
| C60 | C59 | O61 | H591 | 120.6° | 120.0° |
| C60 | C59 | O61 | C62 | 88.2° | 90.0° |
| C59 | C60 | H603 | H601 | 120.0° | 120.0° |
| C59 | C60 | H603 | H602 | 120.0° | 120.0° |
| C59 | C60 | H601 | H602 | 120.0° | 120.0° |
| O61 | C59 | C60 | H603 | 61.5° | 54.9° |
| O61 | C59 | C60 | H601 | 58.5° | 175.0° |
| O61 | C59 | C60 | H602 | 178.5° | 65.0° |
| C59 | O61 | C62 | H623 | 180.0° | 180.0° |
| C59 | O61 | C62 | H621 | 60.0° | 59.9° |
| C59 | O61 | C62 | H622 | 60.0° | 60.0° |
| C62 | O61 | C59 | H591 | 32.4° | 30.0° |
| O61 | C62 | H623 | H621 | 120.0° | 120.0° |
| O61 | C62 | H623 | H622 | 120.0° | 120.0° |
| O61 | C62 | H621 | H622 | 120.0° | 120.0° |
| H013 | C01 | H012 | H011 | 120.0° | 119.9° |
| H013 | C01 | C02 | H022 | 60.2° | 60.0° |
| H013 | C01 | C02 | H021 | 60.2° | 179.9° |
| H012 | C01 | C02 | H022 | 179.8° | 180.0° |
| H012 | C01 | C02 | H021 | 59.8° | 60.0° |
| H011 | C01 | C02 | H022 | 59.8° | 60.0° |
| H011 | C01 | C02 | H021 | 179.8° | 60.1° |
| H083 | C08 | H081 | H082 | 120.0° | 120.1° |
| H091 | C09 | H092 | H093 | 119.9° | 120.0° |
| H141 | C14 | C15 | H152 | 54.7° | 153.3° |
| H141 | C14 | C15 | H151 | 173.5° | 34.4° |
| H141 | C14 | N19 | H191 | 180.0° | 178.9° |
| H152 | C15 | C16 | H162 | 48.7° | 25.2° |
| H152 | C15 | C16 | H161 | 70.0° | 94.1° |
| H151 | C15 | C16 | H162 | 167.5° | 144.0° |
| H151 | C15 | C16 | H161 | 48.8° | 24.8° |
| H162 | C16 | C17 | H171 | 48.4° | 56.8° |
| H162 | C16 | C17 | H172 | 168.2° | 177.5° |
| H161 | C16 | C17 | H171 | 70.2° | 62.5° |
| H161 | C16 | C17 | H172 | 49.5° | 58.1° |
| H221 | C22 | C23 | H232 | 146.4° | 162.8° |
| H221 | C22 | C23 | H231 | 93.7° | 77.0° |
| H221 | C22 | N37 | H371 | 168.2° | 5.6° |
| H321 | C32 | C33 | H331 | 0.0° | 0.1° |
| H401 | C40 | C41 | H411 | 172.3° | 67.2° |
| H411 | C41 | C42 | H421 | 61.4° | 179.0° |
| H411 | C41 | C42 | H422 | 58.6° | 60.9° |
| H411 | C41 | C42 | H423 | 178.6° | 59.1° |
| H411 | C41 | C43 | H432 | 61.4° | 54.9° |
| H411 | C41 | C43 | H433 | 178.6° | 175.0° |
| H411 | C41 | C43 | H431 | 58.6° | 65.0° |
| H421 | C42 | H422 | H423 | 120.0° | 119.9° |
| H432 | C43 | H433 | H431 | 120.0° | 119.9° |
| H452 | C45 | H453 | H451 | 120.0° | 120.1° |
| H491 | C49 | C50 | H502 | 0.0° | 145.0° |
| H491 | C49 | C50 | H501 | 141.1° | 0.1° |
| H492 | C49 | C50 | H502 | 141.1° | 0.1° |
| H492 | C49 | C50 | H501 | 0.0° | 145.0° |
| H541 | C54 | C55 | H551 | 0.2° | 0.1° |
| H551 | C55 | C56 | H561 | 0.1° | 0.1° |
| H591 | C59 | C60 | H603 | 60.3° | 175.0° |
| H591 | C59 | C60 | H601 | 179.7° | 65.0° |
| H591 | C59 | C60 | H602 | 59.7° | 55.0° |
| H603 | C60 | H601 | H602 | 120.0° | 120.0° |
| H623 | C62 | H621 | H622 | 120.0° | 120.0° |
