QZV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C40 | C39 | sing | 1.51Å | 1.51Å | |
| C39 | C38 | doub | 1.37Å | 1.39Å | Aromatic |
| C39 | C41 | sing | 1.39Å | 1.40Å | Aromatic |
| C38 | C37 | sing | 1.40Å | 1.39Å | Aromatic |
| O35 | C34 | doub | 1.21Å | 1.26Å | |
| C41 | C42 | doub | 1.38Å | 1.40Å | Aromatic |
| C37 | C32 | sing | 1.46Å | 1.44Å | Aromatic |
| C37 | C43 | doub | 1.41Å | 1.32Å | Aromatic |
| C33 | C34 | sing | 1.51Å | 1.51Å | |
| C33 | C32 | sing | 1.51Å | 1.50Å | |
| C34 | O36 | sing | 1.34Å | 1.27Å | |
| C42 | C43 | sing | 1.39Å | 1.38Å | Aromatic |
| C32 | C31 | doub | 1.36Å | 1.41Å | Aromatic |
| C43 | O44 | sing | 1.35Å | 1.31Å | Aromatic |
| C31 | O44 | sing | 1.35Å | 1.31Å | Aromatic |
| C31 | C30 | sing | 1.43Å | 1.49Å | |
| C30 | C29 | trip | 1.17Å | 1.17Å | |
| C29 | C28 | sing | 1.43Å | 1.51Å | |
| C28 | C45 | doub | 1.40Å | 1.38Å | Aromatic |
| C28 | C27 | sing | 1.40Å | 1.38Å | Aromatic |
| C45 | C46 | sing | 1.37Å | 1.38Å | Aromatic |
| C27 | C26 | doub | 1.37Å | 1.39Å | Aromatic |
| C46 | C25 | doub | 1.40Å | 1.38Å | Aromatic |
| C26 | C25 | sing | 1.40Å | 1.39Å | Aromatic |
| C25 | C24 | sing | 1.48Å | 1.53Å | |
| C24 | O47 | doub | 1.22Å | 1.19Å | |
| C24 | N23 | sing | 1.35Å | 1.45Å | |
| N23 | C22 | sing | 1.46Å | 1.43Å | |
| C22 | C21 | sing | 1.53Å | 1.51Å | |
| C21 | O20 | sing | 1.43Å | 1.39Å | |
| O20 | C19 | sing | 1.43Å | 1.39Å | |
| C19 | C18 | sing | 1.53Å | 1.51Å | |
| C18 | O17 | sing | 1.43Å | 1.39Å | |
| O17 | C16 | sing | 1.43Å | 1.39Å | |
| C16 | C15 | sing | 1.53Å | 1.52Å | |
| O48 | C13 | doub | 1.22Å | 1.18Å | |
| C15 | N14 | sing | 1.46Å | 1.46Å | |
| C13 | N14 | sing | 1.35Å | 1.45Å | |
| C13 | C12 | sing | 1.48Å | 1.53Å | |
| C11 | C12 | doub | 1.40Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.37Å | 1.38Å | Aromatic |
| C12 | C49 | sing | 1.40Å | 1.39Å | Aromatic |
| C10 | C09 | doub | 1.40Å | 1.38Å | Aromatic |
| C49 | C50 | doub | 1.37Å | 1.38Å | Aromatic |
| C09 | C50 | sing | 1.40Å | 1.38Å | Aromatic |
| C09 | C08 | sing | 1.43Å | 1.50Å | |
| C08 | C07 | trip | 1.17Å | 1.16Å | |
| C07 | C06 | sing | 1.43Å | 1.50Å | |
| O51 | C06 | sing | 1.35Å | 1.29Å | Aromatic |
| O51 | C52 | sing | 1.35Å | 1.33Å | Aromatic |
| C06 | C05 | doub | 1.36Å | 1.39Å | Aromatic |
| O03 | C02 | doub | 1.21Å | 1.25Å | |
| C52 | C53 | doub | 1.39Å | 1.38Å | Aromatic |
| C52 | C58 | sing | 1.41Å | 1.37Å | Aromatic |
| C53 | C54 | sing | 1.38Å | 1.38Å | Aromatic |
| C05 | C04 | sing | 1.51Å | 1.52Å | |
| C05 | C58 | sing | 1.46Å | 1.45Å | Aromatic |
| C02 | C04 | sing | 1.51Å | 1.51Å | |
| C02 | O01 | sing | 1.34Å | 1.26Å | |
| C58 | C57 | doub | 1.40Å | 1.39Å | Aromatic |
| C54 | C55 | doub | 1.39Å | 1.38Å | Aromatic |
| C57 | C55 | sing | 1.37Å | 1.38Å | Aromatic |
| C55 | C56 | sing | 1.51Å | 1.51Å | |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.08Å | 1.08Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.08Å | 1.08Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C38 | H381 | sing | 1.08Å | 1.08Å | |
| C40 | H401 | sing | 1.09Å | 1.10Å | |
| C40 | H402 | sing | 1.09Å | 1.10Å | |
| C40 | H403 | sing | 1.09Å | 1.10Å | |
| C41 | H411 | sing | 1.08Å | 1.08Å | |
| C42 | H421 | sing | 1.08Å | 1.08Å | |
| C45 | H451 | sing | 1.08Å | 1.08Å | |
| C46 | H461 | sing | 1.08Å | 1.08Å | |
| C49 | H491 | sing | 1.08Å | 1.08Å | |
| C50 | H501 | sing | 1.08Å | 1.08Å | |
| C53 | H531 | sing | 1.08Å | 1.08Å | |
| C54 | H541 | sing | 1.08Å | 1.08Å | |
| C56 | H562 | sing | 1.09Å | 1.10Å | |
| C56 | H561 | sing | 1.09Å | 1.10Å | |
| C56 | H563 | sing | 1.09Å | 1.10Å | |
| C57 | H571 | sing | 1.08Å | 1.08Å | |
| N14 | H141 | sing | 0.97Å | 1.00Å | |
| N23 | H231 | sing | 0.97Å | 1.00Å | |
| O01 | H1 | sing | 0.97Å | 0.95Å | |
| O36 | H2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C40 | C39 | C38 | 120.9° | 119.8° |
| C40 | C39 | C41 | 116.9° | 119.8° |
| C39 | C40 | H401 | 109.5° | 109.4° |
| C39 | C40 | H402 | 109.4° | 109.4° |
| C39 | C40 | H403 | 109.5° | 109.5° |
| C38 | C39 | C41 | 122.2° | 120.4° |
| C39 | C38 | C37 | 114.3° | 119.7° |
| C39 | C38 | H381 | 122.9° | 120.1° |
| C39 | C41 | C42 | 121.0° | 120.7° |
| C39 | C41 | H411 | 119.5° | 119.6° |
| C38 | C37 | C32 | 129.7° | 134.2° |
| C38 | C37 | C43 | 123.5° | 120.1° |
| C37 | C38 | H381 | 122.9° | 120.2° |
| O35 | C34 | C33 | 118.4° | 120.0° |
| O35 | C34 | O36 | 121.8° | 120.0° |
| C41 | C42 | C43 | 114.7° | 119.9° |
| C42 | C41 | H411 | 119.5° | 119.7° |
| C41 | C42 | H421 | 122.6° | 120.1° |
| C32 | C37 | C43 | 106.9° | 105.7° |
| C37 | C32 | C33 | 127.9° | 127.0° |
| C37 | C32 | C31 | 102.1° | 106.1° |
| C37 | C43 | C42 | 124.3° | 119.1° |
| C37 | C43 | O44 | 112.2° | 107.7° |
| C34 | C33 | C32 | 108.4° | 109.5° |
| C33 | C34 | O36 | 119.7° | 120.0° |
| C34 | C33 | H331 | 109.8° | 109.5° |
| C34 | C33 | H332 | 109.7° | 109.5° |
| C33 | C32 | C31 | 130.0° | 127.0° |
| C32 | C33 | H331 | 109.7° | 109.5° |
| C32 | C33 | H332 | 109.7° | 109.4° |
| C34 | O36 | H2 | 109.5° | 117.0° |
| C42 | C43 | O44 | 123.6° | 133.2° |
| C43 | C42 | H421 | 122.7° | 120.1° |
| C32 | C31 | O44 | 110.6° | 109.7° |
| C32 | C31 | C30 | 128.3° | 125.1° |
| C43 | O44 | C31 | 108.3° | 110.9° |
| O44 | C31 | C30 | 121.1° | 125.2° |
| C31 | C30 | C29 | 176.2° | 180.0° |
| C30 | C29 | C28 | 173.0° | 180.0° |
| C29 | C28 | C45 | 117.9° | 120.1° |
| C29 | C28 | C27 | 122.9° | 120.0° |
| C45 | C28 | C27 | 119.1° | 120.0° |
| C28 | C45 | C46 | 120.8° | 120.0° |
| C28 | C45 | H451 | 119.6° | 120.0° |
| C28 | C27 | C26 | 119.8° | 120.0° |
| C28 | C27 | H271 | 120.1° | 120.1° |
| C45 | C46 | C25 | 121.0° | 120.0° |
| C46 | C45 | H451 | 119.6° | 120.0° |
| C45 | C46 | H461 | 119.5° | 120.0° |
| C27 | C26 | C25 | 121.3° | 120.0° |
| C27 | C26 | H261 | 119.4° | 120.0° |
| C26 | C27 | H271 | 120.1° | 120.0° |
| C46 | C25 | C26 | 117.9° | 120.1° |
| C46 | C25 | C24 | 116.6° | 119.9° |
| C25 | C46 | H461 | 119.5° | 120.0° |
| C26 | C25 | C24 | 125.4° | 120.0° |
| C25 | C26 | H261 | 119.4° | 120.0° |
| C25 | C24 | O47 | 115.9° | 120.0° |
| C25 | C24 | N23 | 129.3° | 120.0° |
| O47 | C24 | N23 | 114.6° | 120.0° |
| C24 | N23 | C22 | 126.3° | 120.0° |
| C24 | N23 | H231 | 116.8° | 120.0° |
| N23 | C22 | C21 | 109.8° | 109.5° |
| N23 | C22 | H222 | 109.4° | 109.4° |
| N23 | C22 | H221 | 109.4° | 109.5° |
| C22 | N23 | H231 | 116.9° | 120.0° |
| C22 | C21 | O20 | 109.2° | 109.5° |
| C22 | C21 | H211 | 109.5° | 109.5° |
| C22 | C21 | H212 | 109.5° | 109.5° |
| C21 | C22 | H222 | 109.4° | 109.4° |
| C21 | C22 | H221 | 109.4° | 109.5° |
| C21 | O20 | C19 | 111.2° | 114.0° |
| O20 | C21 | H211 | 109.5° | 109.4° |
| O20 | C21 | H212 | 109.5° | 109.4° |
| O20 | C19 | C18 | 108.0° | 109.5° |
| O20 | C19 | H192 | 109.8° | 109.5° |
| O20 | C19 | H191 | 109.8° | 109.4° |
| C19 | C18 | O17 | 107.6° | 109.5° |
| C19 | C18 | H182 | 110.0° | 109.5° |
| C19 | C18 | H181 | 109.9° | 109.5° |
| C18 | C19 | H192 | 109.8° | 109.5° |
| C18 | C19 | H191 | 109.8° | 109.5° |
| C18 | O17 | C16 | 116.1° | 114.0° |
| O17 | C18 | H182 | 109.9° | 109.5° |
| O17 | C18 | H181 | 109.9° | 109.5° |
| O17 | C16 | C15 | 106.9° | 109.5° |
| O17 | C16 | H161 | 110.1° | 109.4° |
| O17 | C16 | H162 | 110.1° | 109.4° |
| C16 | C15 | N14 | 118.8° | 109.5° |
| C16 | C15 | H151 | 107.1° | 109.5° |
| C16 | C15 | H152 | 107.1° | 109.4° |
| C15 | C16 | H161 | 110.1° | 109.5° |
| C15 | C16 | H162 | 110.1° | 109.5° |
| O48 | C13 | N14 | 120.9° | 120.0° |
| O48 | C13 | C12 | 119.7° | 120.0° |
| C15 | N14 | C13 | 125.0° | 120.0° |
| N14 | C15 | H151 | 107.1° | 109.5° |
| N14 | C15 | H152 | 107.1° | 109.5° |
| C15 | N14 | H141 | 117.5° | 120.0° |
| N14 | C13 | C12 | 119.4° | 120.0° |
| C13 | N14 | H141 | 117.5° | 120.0° |
| C13 | C12 | C11 | 120.6° | 120.0° |
| C13 | C12 | C49 | 120.2° | 120.0° |
| C12 | C11 | C10 | 120.0° | 120.0° |
| C11 | C12 | C49 | 119.2° | 120.0° |
| C12 | C11 | H111 | 120.0° | 120.0° |
| C11 | C10 | C09 | 120.0° | 119.9° |
| C11 | C10 | H101 | 120.0° | 120.0° |
| C10 | C11 | H111 | 120.0° | 119.9° |
| C12 | C49 | C50 | 120.6° | 120.1° |
| C12 | C49 | H491 | 119.7° | 120.0° |
| C10 | C09 | C50 | 120.4° | 119.9° |
| C10 | C09 | C08 | 118.1° | 120.0° |
| C09 | C10 | H101 | 120.0° | 120.0° |
| C49 | C50 | C09 | 119.8° | 120.0° |
| C50 | C49 | H491 | 119.7° | 120.0° |
| C49 | C50 | H501 | 120.1° | 120.0° |
| C50 | C09 | C08 | 121.4° | 120.0° |
| C09 | C50 | H501 | 120.1° | 120.0° |
| C09 | C08 | C07 | 174.5° | 180.0° |
| C08 | C07 | C06 | 176.2° | 179.9° |
| C07 | C06 | O51 | 124.4° | 125.1° |
| C07 | C06 | C05 | 125.3° | 125.2° |
| C06 | O51 | C52 | 110.3° | 110.9° |
| O51 | C06 | C05 | 110.3° | 109.7° |
| O51 | C52 | C53 | 129.4° | 133.2° |
| O51 | C52 | C58 | 110.1° | 107.6° |
| C06 | C05 | C04 | 125.0° | 127.0° |
| C06 | C05 | C58 | 104.4° | 106.0° |
| O03 | C02 | C04 | 118.8° | 120.0° |
| O03 | C02 | O01 | 121.6° | 120.0° |
| C53 | C52 | C58 | 120.5° | 119.2° |
| C52 | C53 | C54 | 120.8° | 119.9° |
| C52 | C53 | H531 | 119.6° | 120.1° |
| C52 | C58 | C05 | 104.9° | 105.8° |
| C52 | C58 | C57 | 119.5° | 120.1° |
| C53 | C54 | C55 | 118.9° | 120.7° |
| C54 | C53 | H531 | 119.6° | 120.0° |
| C53 | C54 | H541 | 120.6° | 119.6° |
| C04 | C05 | C58 | 130.7° | 127.0° |
| C05 | C04 | C02 | 112.6° | 109.5° |
| C05 | C04 | H042 | 108.7° | 109.5° |
| C05 | C04 | H041 | 108.7° | 109.5° |
| C05 | C58 | C57 | 135.6° | 134.1° |
| C04 | C02 | O01 | 119.6° | 120.0° |
| C02 | C04 | H042 | 108.7° | 109.5° |
| C02 | C04 | H041 | 108.7° | 109.5° |
| C02 | O01 | H1 | 109.5° | 117.0° |
| C58 | C57 | C55 | 119.7° | 119.7° |
| C58 | C57 | H571 | 120.2° | 120.2° |
| C54 | C55 | C57 | 120.6° | 120.4° |
| C54 | C55 | C56 | 118.2° | 119.8° |
| C55 | C54 | H541 | 120.5° | 119.7° |
| C57 | C55 | C56 | 121.2° | 119.8° |
| C55 | C57 | H571 | 120.2° | 120.1° |
| C55 | C56 | H562 | 109.5° | 109.5° |
| C55 | C56 | H561 | 109.5° | 109.5° |
| C55 | C56 | H563 | 109.5° | 109.4° |
| H151 | C15 | H152 | 109.5° | 109.5° |
| H211 | C21 | H212 | 109.4° | 109.5° |
| H222 | C22 | H221 | 109.5° | 109.5° |
| H042 | C04 | H041 | 109.5° | 109.4° |
| H161 | C16 | H162 | 109.5° | 109.5° |
| H182 | C18 | H181 | 109.5° | 109.4° |
| H192 | C19 | H191 | 109.5° | 109.5° |
| H331 | C33 | H332 | 109.4° | 109.4° |
| H401 | C40 | H402 | 109.5° | 109.5° |
| H401 | C40 | H403 | 109.4° | 109.5° |
| H402 | C40 | H403 | 109.5° | 109.5° |
| H562 | C56 | H561 | 109.5° | 109.5° |
| H562 | C56 | H563 | 109.5° | 109.4° |
| H561 | C56 | H563 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C40 | C39 | C38 | C41 | 178.0° | 180.0° |
| C40 | C39 | C38 | C37 | 179.7° | 180.0° |
| C40 | C39 | C41 | C42 | 179.5° | 180.0° |
| C40 | C39 | C38 | H381 | 0.3° | 0.0° |
| C39 | C40 | H401 | H402 | 120.0° | 120.0° |
| C39 | C40 | H401 | H403 | 120.0° | 120.0° |
| C39 | C40 | H402 | H403 | 120.0° | 120.0° |
| C40 | C39 | C41 | H411 | 0.5° | 0.0° |
| C39 | C38 | C37 | H381 | 180.0° | 180.0° |
| C38 | C39 | C41 | C42 | 2.5° | 0.0° |
| C39 | C38 | C37 | C32 | 179.7° | 180.0° |
| C39 | C38 | C37 | C43 | 0.9° | 0.0° |
| C38 | C39 | C40 | H401 | 88.9° | 90.0° |
| C38 | C39 | C40 | H402 | 151.0° | 150.0° |
| C38 | C39 | C40 | H403 | 31.1° | 30.0° |
| C38 | C39 | C41 | H411 | 177.5° | 179.9° |
| C41 | C39 | C38 | C37 | 1.7° | 0.0° |
| C39 | C41 | C42 | H411 | 180.0° | 179.9° |
| C39 | C41 | C42 | C43 | 2.2° | 0.0° |
| C41 | C39 | C38 | H381 | 178.3° | 180.0° |
| C41 | C39 | C40 | H401 | 89.1° | 90.0° |
| C41 | C39 | C40 | H402 | 30.9° | 30.0° |
| C41 | C39 | C40 | H403 | 150.9° | 150.0° |
| C39 | C41 | C42 | H421 | 177.8° | 180.0° |
| C38 | C37 | C32 | C43 | 179.0° | 180.0° |
| C38 | C37 | C32 | C33 | 0.7° | 0.1° |
| C38 | C37 | C43 | C42 | 0.9° | 0.0° |
| C38 | C37 | C32 | C31 | 179.5° | 180.0° |
| C38 | C37 | C43 | O44 | 179.4° | 180.0° |
| O35 | C34 | C33 | O36 | 178.6° | 180.0° |
| O35 | C34 | C33 | C32 | 112.9° | 0.0° |
| O35 | C34 | C33 | H331 | 127.2° | 120.0° |
| O35 | C34 | C33 | H332 | 6.9° | 120.0° |
| O35 | C34 | O36 | H2 | 0.0° | 0.0° |
| C41 | C42 | C43 | C37 | 1.4° | 0.0° |
| C41 | C42 | C43 | H421 | 180.0° | 180.0° |
| C41 | C42 | C43 | O44 | 178.9° | 180.0° |
| C37 | C32 | C33 | C34 | 74.6° | 90.0° |
| C37 | C32 | C33 | C31 | 179.8° | 179.9° |
| C32 | C37 | C43 | C42 | 179.9° | 180.0° |
| C32 | C37 | C43 | O44 | 0.4° | 0.0° |
| C37 | C32 | C31 | O44 | 0.6° | 0.0° |
| C37 | C32 | C31 | C30 | 179.4° | 179.7° |
| C37 | C32 | C33 | H331 | 165.5° | 30.1° |
| C37 | C32 | C33 | H332 | 45.2° | 150.0° |
| C32 | C37 | C38 | H381 | 0.3° | 0.0° |
| C43 | C37 | C32 | C33 | 179.6° | 180.0° |
| C37 | C43 | C42 | O44 | 179.7° | 179.9° |
| C43 | C37 | C32 | C31 | 0.6° | 0.0° |
| C37 | C43 | O44 | C31 | 0.0° | 0.0° |
| C43 | C37 | C38 | H381 | 179.1° | 180.0° |
| C37 | C43 | C42 | H421 | 178.6° | 180.0° |
| C34 | C33 | C32 | H331 | 119.9° | 120.1° |
| C34 | C33 | C32 | H332 | 119.9° | 120.0° |
| C34 | C33 | C32 | C31 | 105.6° | 89.9° |
| C34 | C33 | H331 | H332 | 120.5° | 120.0° |
| C33 | C34 | O36 | H2 | 178.5° | 180.0° |
| C32 | C33 | C34 | O36 | 65.6° | 180.0° |
| C33 | C32 | C31 | O44 | 179.6° | 179.9° |
| C33 | C32 | C31 | C30 | 0.4° | 0.2° |
| C32 | C33 | H331 | H332 | 120.4° | 119.9° |
| O36 | C34 | C33 | H331 | 54.2° | 60.0° |
| O36 | C34 | C33 | H332 | 174.5° | 60.0° |
| C42 | C43 | O44 | C31 | 179.7° | 180.0° |
| C43 | C42 | C41 | H411 | 177.9° | 179.9° |
| C32 | C31 | O44 | C43 | 0.4° | 0.0° |
| C32 | C31 | O44 | C30 | 180.0° | 179.8° |
| C32 | C31 | C30 | C29 | 111.1° | 164.7° |
| C31 | C32 | C33 | H331 | 14.2° | 150.0° |
| C31 | C32 | C33 | H332 | 134.5° | 30.1° |
| C43 | O44 | C31 | C30 | 179.6° | 179.7° |
| O44 | C43 | C42 | H421 | 1.1° | 0.0° |
| O44 | C31 | C30 | C29 | 69.0° | 15.6° |
| C31 | C30 | C29 | C28 | 56.7° | 128.3° |
| C30 | C29 | C28 | C45 | 34.9° | 36.1° |
| C30 | C29 | C28 | C27 | 144.5° | 143.2° |
| C29 | C28 | C45 | C27 | 179.4° | 179.3° |
| C29 | C28 | C45 | C46 | 179.8° | 180.0° |
| C29 | C28 | C27 | C26 | 179.6° | 179.7° |
| C29 | C28 | C27 | H271 | 0.4° | 0.2° |
| C29 | C28 | C45 | H451 | 0.2° | 0.7° |
| C28 | C45 | C46 | H451 | 180.0° | 179.3° |
| C45 | C28 | C27 | C26 | 1.0° | 0.4° |
| C28 | C45 | C46 | C25 | 0.5° | 0.5° |
| C45 | C28 | C27 | H271 | 179.0° | 179.5° |
| C28 | C45 | C46 | H461 | 179.5° | 179.9° |
| C27 | C28 | C45 | C46 | 0.8° | 0.7° |
| C28 | C27 | C26 | H271 | 180.0° | 180.0° |
| C28 | C27 | C26 | C25 | 0.0° | 0.1° |
| C28 | C27 | C26 | H261 | 180.0° | 179.7° |
| C27 | C28 | C45 | H451 | 179.2° | 180.0° |
| C45 | C46 | C25 | H461 | 180.0° | 179.5° |
| C45 | C46 | C25 | C26 | 1.5° | 0.0° |
| C45 | C46 | C25 | C24 | 178.2° | 180.0° |
| C27 | C26 | C25 | C46 | 1.2° | 0.3° |
| C27 | C26 | C25 | H261 | 180.0° | 179.6° |
| C27 | C26 | C25 | C24 | 177.7° | 179.7° |
| C46 | C25 | C26 | C24 | 176.5° | 180.0° |
| C46 | C25 | C24 | O47 | 19.2° | 180.0° |
| C46 | C25 | C24 | N23 | 166.0° | 0.0° |
| C46 | C25 | C26 | H261 | 178.8° | 180.0° |
| C25 | C46 | C45 | H451 | 179.5° | 179.8° |
| C26 | C25 | C24 | O47 | 157.3° | 0.1° |
| C26 | C25 | C24 | N23 | 17.5° | 180.0° |
| C25 | C26 | C27 | H271 | 180.0° | 180.0° |
| C26 | C25 | C46 | H461 | 178.6° | 179.4° |
| C25 | C24 | O47 | N23 | 175.6° | 179.9° |
| C25 | C24 | N23 | C22 | 4.9° | 180.0° |
| C24 | C25 | C26 | H261 | 2.3° | 0.1° |
| C24 | C25 | C46 | H461 | 1.8° | 0.5° |
| C25 | C24 | N23 | H231 | 175.0° | 0.1° |
| O47 | C24 | N23 | C22 | 179.9° | 0.1° |
| O47 | C24 | N23 | H231 | 0.1° | 180.0° |
| C24 | N23 | C22 | H231 | 180.0° | 179.9° |
| C24 | N23 | C22 | C21 | 135.6° | 180.0° |
| C24 | N23 | C22 | H222 | 104.3° | 60.0° |
| C24 | N23 | C22 | H221 | 15.6° | 60.0° |
| N23 | C22 | C21 | H222 | 120.1° | 120.0° |
| N23 | C22 | C21 | H221 | 120.0° | 120.0° |
| N23 | C22 | C21 | O20 | 100.9° | 65.0° |
| N23 | C22 | C21 | H211 | 139.1° | 175.0° |
| N23 | C22 | C21 | H212 | 19.1° | 54.9° |
| N23 | C22 | H222 | H221 | 119.9° | 120.0° |
| C22 | C21 | O20 | H211 | 120.0° | 120.0° |
| C22 | C21 | O20 | H212 | 120.0° | 120.0° |
| C22 | C21 | O20 | C19 | 162.2° | 180.0° |
| C22 | C21 | H211 | H212 | 120.1° | 120.1° |
| C21 | C22 | H222 | H221 | 119.8° | 120.0° |
| C21 | C22 | N23 | H231 | 44.3° | 0.1° |
| C21 | O20 | C19 | C18 | 96.9° | 180.0° |
| O20 | C21 | H211 | H212 | 120.1° | 119.9° |
| O20 | C21 | C22 | H222 | 19.2° | 175.0° |
| O20 | C21 | C22 | H221 | 139.1° | 55.0° |
| C21 | O20 | C19 | H192 | 143.3° | 60.0° |
| C21 | O20 | C19 | H191 | 22.8° | 60.0° |
| O20 | C19 | C18 | H192 | 119.8° | 120.0° |
| O20 | C19 | C18 | H191 | 119.8° | 119.9° |
| O20 | C19 | C18 | O17 | 171.9° | 65.0° |
| C19 | O20 | C21 | H211 | 77.9° | 60.0° |
| C19 | O20 | C21 | H212 | 42.2° | 60.0° |
| O20 | C19 | C18 | H182 | 68.4° | 175.0° |
| O20 | C19 | C18 | H181 | 52.2° | 55.0° |
| O20 | C19 | H192 | H191 | 120.7° | 120.0° |
| C19 | C18 | O17 | H182 | 119.7° | 120.0° |
| C19 | C18 | O17 | H181 | 119.7° | 120.0° |
| C19 | C18 | O17 | C16 | 104.5° | 180.0° |
| C19 | C18 | H182 | H181 | 120.8° | 120.0° |
| C18 | C19 | H192 | H191 | 120.7° | 120.0° |
| C18 | O17 | C16 | C15 | 165.4° | 180.0° |
| C18 | O17 | C16 | H161 | 75.0° | 60.0° |
| C18 | O17 | C16 | H162 | 45.8° | 60.0° |
| O17 | C18 | H182 | H181 | 120.9° | 120.0° |
| O17 | C18 | C19 | H192 | 52.2° | 175.0° |
| O17 | C18 | C19 | H191 | 68.3° | 55.0° |
| O17 | C16 | C15 | H161 | 119.6° | 120.0° |
| O17 | C16 | C15 | H162 | 119.6° | 119.9° |
| O17 | C16 | C15 | N14 | 104.9° | 65.0° |
| O17 | C16 | C15 | H151 | 133.7° | 175.0° |
| O17 | C16 | C15 | H152 | 16.4° | 55.0° |
| O17 | C16 | H161 | H162 | 121.2° | 119.9° |
| C16 | O17 | C18 | H182 | 15.2° | 60.0° |
| C16 | O17 | C18 | H181 | 135.8° | 60.0° |
| C16 | C15 | N14 | H151 | 121.3° | 120.0° |
| C16 | C15 | N14 | H152 | 121.3° | 119.9° |
| C16 | C15 | N14 | C13 | 18.4° | 180.0° |
| C16 | C15 | H151 | H152 | 115.8° | 119.9° |
| C15 | C16 | H161 | H162 | 121.2° | 120.0° |
| C16 | C15 | N14 | H141 | 161.5° | 0.0° |
| O48 | C13 | N14 | C15 | 0.3° | 0.1° |
| O48 | C13 | N14 | C12 | 179.9° | 179.9° |
| O48 | C13 | C12 | C11 | 33.5° | 0.1° |
| O48 | C13 | C12 | C49 | 145.5° | 180.0° |
| O48 | C13 | N14 | H141 | 179.7° | 180.0° |
| C15 | N14 | C13 | H141 | 180.0° | 180.0° |
| C15 | N14 | C13 | C12 | 179.7° | 180.0° |
| N14 | C15 | H151 | H152 | 115.8° | 120.0° |
| N14 | C15 | C16 | H161 | 14.7° | 175.0° |
| N14 | C15 | C16 | H162 | 135.4° | 55.0° |
| N14 | C13 | C12 | C11 | 146.5° | 180.0° |
| N14 | C13 | C12 | C49 | 34.4° | 0.0° |
| C13 | N14 | C15 | H151 | 139.8° | 60.0° |
| C13 | N14 | C15 | H152 | 102.9° | 60.1° |
| C13 | C12 | C11 | C49 | 179.0° | 180.0° |
| C13 | C12 | C11 | C10 | 179.7° | 180.0° |
| C13 | C12 | C49 | C50 | 179.1° | 179.7° |
| C13 | C12 | C11 | H111 | 0.3° | 0.0° |
| C13 | C12 | C49 | H491 | 0.9° | 0.0° |
| C12 | C13 | N14 | H141 | 0.4° | 0.0° |
| C12 | C11 | C10 | H111 | 180.0° | 179.9° |
| C12 | C11 | C10 | C09 | 0.6° | 0.1° |
| C11 | C12 | C49 | C50 | 0.1° | 0.2° |
| C12 | C11 | C10 | H101 | 179.5° | 179.7° |
| C11 | C12 | C49 | H491 | 179.9° | 180.0° |
| C10 | C11 | C12 | C49 | 0.7° | 0.1° |
| C11 | C10 | C09 | H101 | 180.0° | 179.8° |
| C11 | C10 | C09 | C50 | 0.2° | 0.2° |
| C11 | C10 | C09 | C08 | 179.1° | 179.8° |
| C12 | C49 | C50 | H491 | 180.0° | 179.7° |
| C12 | C49 | C50 | C09 | 0.6° | 0.5° |
| C49 | C12 | C11 | H111 | 179.3° | 180.0° |
| C12 | C49 | C50 | H501 | 179.4° | 180.0° |
| C10 | C09 | C50 | C49 | 0.8° | 0.5° |
| C10 | C09 | C50 | C08 | 179.2° | 180.0° |
| C10 | C09 | C08 | C07 | 33.5° | 3.1° |
| C09 | C10 | C11 | H111 | 179.5° | 180.0° |
| C10 | C09 | C50 | H501 | 179.2° | 180.0° |
| C49 | C50 | C09 | H501 | 180.0° | 179.5° |
| C49 | C50 | C09 | C08 | 178.5° | 179.5° |
| C50 | C09 | C08 | C07 | 147.2° | 176.9° |
| C50 | C09 | C10 | H101 | 179.8° | 180.0° |
| C09 | C50 | C49 | H491 | 179.3° | 179.7° |
| C09 | C08 | C07 | C06 | 3.8° | 163.9° |
| C08 | C09 | C10 | H101 | 0.9° | 0.0° |
| C08 | C09 | C50 | H501 | 1.6° | 0.0° |
| C08 | C07 | C06 | O51 | 40.3° | 160.8° |
| C08 | C07 | C06 | C05 | 141.8° | 19.3° |
| C07 | C06 | O51 | C05 | 178.2° | 179.9° |
| C07 | C06 | O51 | C52 | 179.8° | 179.8° |
| C07 | C06 | C05 | C04 | 0.3° | 0.0° |
| C07 | C06 | C05 | C58 | 179.0° | 179.7° |
| C06 | O51 | C52 | C53 | 178.3° | 179.7° |
| C06 | O51 | C52 | C58 | 1.6° | 0.0° |
| O51 | C06 | C05 | C04 | 177.9° | 180.0° |
| O51 | C06 | C05 | C58 | 0.8° | 0.3° |
| C52 | O51 | C06 | C05 | 1.5° | 0.2° |
| O51 | C52 | C53 | C58 | 179.9° | 179.7° |
| O51 | C52 | C53 | C54 | 179.1° | 179.7° |
| O51 | C52 | C58 | C05 | 1.0° | 0.2° |
| O51 | C52 | C58 | C57 | 179.5° | 179.8° |
| O51 | C52 | C53 | H531 | 1.0° | 0.3° |
| C06 | C05 | C58 | C52 | 0.1° | 0.3° |
| C06 | C05 | C04 | C58 | 178.4° | 179.7° |
| C06 | C05 | C04 | C02 | 105.2° | 89.7° |
| C06 | C05 | C58 | C57 | 179.5° | 179.7° |
| C06 | C05 | C04 | H042 | 134.4° | 150.3° |
| C06 | C05 | C04 | H041 | 15.3° | 30.3° |
| O03 | C02 | C04 | C05 | 73.4° | 0.0° |
| O03 | C02 | C04 | O01 | 179.2° | 179.9° |
| O03 | C02 | C04 | H042 | 166.1° | 120.1° |
| O03 | C02 | C04 | H041 | 47.0° | 120.0° |
| O03 | C02 | O01 | H1 | 0.0° | 0.0° |
| C52 | C53 | C54 | H531 | 180.0° | 179.9° |
| C53 | C52 | C58 | C05 | 178.9° | 180.0° |
| C53 | C52 | C58 | C57 | 0.5° | 0.0° |
| C52 | C53 | C54 | C55 | 0.9° | 0.0° |
| C52 | C53 | C54 | H541 | 179.1° | 180.0° |
| C58 | C52 | C53 | C54 | 1.0° | 0.0° |
| C52 | C58 | C05 | C04 | 178.8° | 180.0° |
| C52 | C58 | C05 | C57 | 179.3° | 180.0° |
| C52 | C58 | C57 | C55 | 0.0° | 0.0° |
| C58 | C52 | C53 | H531 | 179.0° | 180.0° |
| C52 | C58 | C57 | H571 | 180.0° | 180.0° |
| C53 | C54 | C55 | H541 | 180.0° | 180.0° |
| C53 | C54 | C55 | C57 | 0.3° | 0.0° |
| C53 | C54 | C55 | C56 | 179.8° | 180.0° |
| C05 | C04 | C02 | H042 | 120.4° | 120.0° |
| C05 | C04 | C02 | H041 | 120.4° | 120.0° |
| C05 | C04 | C02 | O01 | 105.7° | 180.0° |
| C04 | C05 | C58 | C57 | 1.9° | 0.1° |
| C05 | C04 | H042 | H041 | 118.6° | 120.0° |
| C58 | C05 | C04 | C02 | 76.4° | 90.0° |
| C05 | C58 | C57 | C55 | 179.3° | 180.0° |
| C58 | C05 | C04 | H042 | 44.1° | 30.0° |
| C58 | C05 | C04 | H041 | 163.2° | 150.0° |
| C05 | C58 | C57 | H571 | 0.7° | 0.0° |
| C02 | C04 | H042 | H041 | 118.6° | 120.0° |
| C04 | C02 | O01 | H1 | 179.1° | 180.0° |
| O01 | C02 | C04 | H042 | 14.7° | 60.0° |
| O01 | C02 | C04 | H041 | 133.8° | 60.0° |
| C58 | C57 | C55 | C54 | 0.2° | 0.1° |
| C58 | C57 | C55 | H571 | 180.0° | 180.0° |
| C58 | C57 | C55 | C56 | 179.7° | 180.0° |
| C54 | C55 | C57 | C56 | 179.9° | 180.0° |
| C55 | C54 | C53 | H531 | 179.1° | 180.0° |
| C54 | C55 | C56 | H562 | 89.9° | 90.0° |
| C54 | C55 | C56 | H561 | 150.1° | 150.0° |
| C54 | C55 | C56 | H563 | 30.1° | 30.0° |
| C54 | C55 | C57 | H571 | 179.8° | 180.0° |
| C57 | C55 | C54 | H541 | 179.7° | 180.0° |
| C57 | C55 | C56 | H562 | 89.9° | 90.0° |
| C57 | C55 | C56 | H561 | 30.1° | 30.1° |
| C57 | C55 | C56 | H563 | 150.1° | 150.1° |
| C56 | C55 | C54 | H541 | 0.2° | 0.0° |
| C55 | C56 | H562 | H561 | 120.0° | 120.1° |
| C55 | C56 | H562 | H563 | 120.0° | 119.9° |
| C55 | C56 | H561 | H563 | 120.0° | 120.0° |
| C56 | C55 | C57 | H571 | 0.3° | 0.0° |
| H101 | C10 | C11 | H111 | 0.5° | 0.2° |
| H151 | C15 | C16 | H161 | 106.7° | 55.0° |
| H151 | C15 | C16 | H162 | 14.1° | 65.1° |
| H151 | C15 | N14 | H141 | 40.2° | 120.0° |
| H152 | C15 | C16 | H161 | 136.0° | 65.0° |
| H152 | C15 | C16 | H162 | 103.3° | 174.9° |
| H152 | C15 | N14 | H141 | 77.2° | 120.0° |
| H211 | C21 | C22 | H222 | 100.8° | 55.0° |
| H211 | C21 | C22 | H221 | 19.1° | 65.0° |
| H212 | C21 | C22 | H222 | 139.1° | 65.0° |
| H212 | C21 | C22 | H221 | 100.9° | 175.0° |
| H222 | C22 | N23 | H231 | 75.7° | 120.0° |
| H221 | C22 | N23 | H231 | 164.4° | 120.0° |
| H261 | C26 | C27 | H271 | 0.0° | 0.3° |
| H182 | C18 | C19 | H192 | 171.8° | 55.0° |
| H182 | C18 | C19 | H191 | 51.4° | 65.0° |
| H181 | C18 | C19 | H192 | 67.6° | 65.0° |
| H181 | C18 | C19 | H191 | 172.0° | 175.0° |
| H401 | C40 | H402 | H403 | 120.0° | 120.0° |
| H411 | C41 | C42 | H421 | 2.2° | 0.1° |
| H451 | C45 | C46 | H461 | 0.5° | 0.8° |
| H491 | C49 | C50 | H501 | 0.7° | 0.2° |
| H531 | C53 | C54 | H541 | 0.9° | 0.0° |
| H562 | C56 | H561 | H563 | 120.0° | 120.0° |
