A1EPQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C09 | sing | 1.51Å | 1.60Å | |
| C10 | N11 | sing | 1.46Å | 1.43Å | |
| C13 | C12 | sing | 1.55Å | 1.68Å | |
| C13 | C14 | sing | 1.55Å | 1.51Å | |
| C15 | C20 | doub | 1.40Å | 1.58Å | Aromatic |
| C15 | C14 | sing | 1.50Å | 1.44Å | |
| C15 | C16 | sing | 1.38Å | 1.56Å | Aromatic |
| C17 | C16 | doub | 1.39Å | 1.53Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.57Å | Aromatic |
| C17 | C53 | sing | 1.53Å | 1.54Å | |
| C20 | C19 | sing | 1.39Å | 1.53Å | Aromatic |
| C20 | N02 | sing | 1.39Å | 1.59Å | |
| C21 | C07 | sing | 1.51Å | 1.42Å | |
| C21 | C14 | sing | 1.51Å | 1.59Å | |
| C21 | N11 | sing | 1.49Å | 1.55Å | |
| C22 | C07 | sing | 1.53Å | 1.56Å | |
| C22 | C23 | sing | 1.53Å | 1.55Å | |
| C24 | N02 | sing | 1.47Å | 1.46Å | |
| C28 | O27 | sing | 1.45Å | 1.41Å | |
| C01 | O03 | sing | 1.43Å | 1.41Å | |
| C04 | C05 | sing | 1.51Å | 1.53Å | |
| C04 | N02 | sing | 1.49Å | 1.39Å | |
| C05 | C06 | sing | 1.55Å | 1.40Å | |
| C05 | C25 | sing | 1.51Å | 1.61Å | |
| C05 | O29 | sing | 1.43Å | 1.41Å | |
| C06 | C07 | sing | 1.53Å | 1.44Å | |
| C06 | O30 | sing | 1.45Å | 1.52Å | |
| C07 | C08 | sing | 1.51Å | 1.62Å | |
| C08 | C09 | doub | 1.30Å | 1.55Å | |
| C12 | N11 | sing | 1.48Å | 1.48Å | |
| C18 | C19 | doub | 1.39Å | 1.57Å | Aromatic |
| C18 | O34 | sing | 1.36Å | 1.41Å | |
| C25 | O26 | doub | 1.21Å | 1.18Å | |
| C25 | O27 | sing | 1.34Å | 1.41Å | |
| C31 | C32 | sing | 1.51Å | 1.55Å | |
| C31 | O30 | sing | 1.34Å | 1.40Å | |
| C31 | O33 | doub | 1.21Å | 1.19Å | |
| C35 | O34 | sing | 1.43Å | 1.42Å | |
| C36 | C37 | sing | 1.51Å | 1.58Å | |
| C36 | C53 | sing | 1.57Å | 1.53Å | |
| C37 | C38 | sing | 1.52Å | 1.57Å | |
| C37 | C54 | sing | 1.57Å | 1.49Å | |
| C38 | C39 | sing | 1.54Å | 1.55Å | |
| C39 | C40 | sing | 1.53Å | 1.54Å | |
| C39 | C55 | sing | 1.53Å | 1.52Å | |
| C39 | O57 | sing | 1.44Å | 1.41Å | |
| C40 | N41 | sing | 1.45Å | 1.50Å | |
| C42 | C43 | sing | 1.57Å | 1.53Å | |
| C42 | N41 | sing | 1.46Å | 1.46Å | |
| C43 | C44 | sing | 1.52Å | 1.58Å | |
| C44 | C45 | sing | 1.46Å | 1.38Å | Aromatic |
| C44 | C52 | doub | 1.35Å | 1.40Å | Aromatic |
| C45 | C46 | doub | 1.40Å | 1.55Å | Aromatic |
| C45 | C50 | sing | 1.41Å | 1.40Å | Aromatic |
| C46 | C47 | sing | 1.39Å | 1.50Å | Aromatic |
| C46 | O03 | sing | 1.36Å | 1.41Å | |
| C47 | C48 | doub | 1.39Å | 1.47Å | Aromatic |
| C47 | F62 | sing | 1.35Å | 1.35Å | |
| C48 | C49 | sing | 1.39Å | 1.48Å | Aromatic |
| C48 | F63 | sing | 1.35Å | 1.35Å | |
| C49 | C50 | doub | 1.40Å | 1.56Å | Aromatic |
| C50 | N51 | sing | 1.36Å | 1.39Å | Aromatic |
| C52 | C53 | sing | 1.52Å | 1.53Å | |
| C52 | N51 | sing | 1.39Å | 1.40Å | Aromatic |
| C53 | C58 | sing | 1.51Å | 1.52Å | |
| C54 | N41 | sing | 1.51Å | 1.44Å | |
| C55 | C56 | sing | 1.53Å | 1.57Å | |
| C58 | O59 | doub | 1.21Å | 1.19Å | |
| C58 | O60 | sing | 1.34Å | 1.42Å | |
| C61 | O60 | sing | 1.45Å | 1.41Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C24 | H243 | sing | 1.09Å | 1.10Å | |
| C28 | H283 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C04 | H1 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H233 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C32 | H323 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C35 | H353 | sing | 1.09Å | 1.10Å | |
| C36 | H362 | sing | 1.10Å | 1.10Å | |
| C36 | H361 | sing | 1.10Å | 1.10Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C38 | H382 | sing | 1.09Å | 1.10Å | |
| C38 | H381 | sing | 1.09Å | 1.10Å | |
| C40 | H401 | sing | 1.09Å | 1.10Å | |
| C40 | H402 | sing | 1.09Å | 1.10Å | |
| C42 | H422 | sing | 1.09Å | 1.10Å | |
| C42 | H421 | sing | 1.09Å | 1.10Å | |
| C43 | H431 | sing | 1.08Å | 1.10Å | |
| C43 | H432 | sing | 1.10Å | 1.10Å | |
| C49 | H491 | sing | 1.08Å | 1.08Å | |
| C54 | H542 | sing | 1.07Å | 1.10Å | |
| C54 | H541 | sing | 1.10Å | 1.10Å | |
| C55 | H551 | sing | 1.09Å | 1.10Å | |
| C55 | H552 | sing | 1.09Å | 1.10Å | |
| C56 | H563 | sing | 1.09Å | 1.10Å | |
| C56 | H562 | sing | 1.09Å | 1.10Å | |
| C56 | H561 | sing | 1.09Å | 1.10Å | |
| C61 | H612 | sing | 1.09Å | 1.10Å | |
| C61 | H613 | sing | 1.09Å | 1.10Å | |
| C61 | H611 | sing | 1.09Å | 1.10Å | |
| N51 | H511 | sing | 0.97Å | 1.00Å | |
| O29 | H291 | sing | 0.97Å | 0.95Å | |
| O57 | H571 | sing | 0.97Å | 0.95Å | |
| C04 | C14 | sing | 1.53Å | 1.74Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C09 | C10 | N11 | 113.9° | 109.1° |
| C10 | C09 | C08 | 118.7° | 123.4° |
| C09 | C10 | H102 | 108.4° | 109.5° |
| C10 | C09 | H091 | 120.6° | 118.3° |
| C09 | C10 | H3 | 108.4° | 109.5° |
| C10 | N11 | C21 | 109.3° | 109.1° |
| C10 | N11 | C12 | 115.2° | 113.1° |
| N11 | C10 | H102 | 108.4° | 109.6° |
| N11 | C10 | H3 | 108.4° | 109.6° |
| C12 | C13 | C14 | 102.8° | 104.7° |
| C13 | C12 | N11 | 104.8° | 104.3° |
| C12 | C13 | H131 | 111.1° | 110.4° |
| C12 | C13 | H132 | 111.1° | 110.4° |
| C13 | C12 | H121 | 110.6° | 110.5° |
| C13 | C12 | H122 | 110.6° | 110.5° |
| C13 | C14 | C15 | 89.5° | 110.0° |
| C13 | C14 | C21 | 97.8° | 104.7° |
| C14 | C13 | H131 | 111.1° | 110.4° |
| C14 | C13 | H132 | 111.1° | 110.4° |
| C13 | C14 | C04 | 125.4° | 108.8° |
| C20 | C15 | C14 | 108.0° | 107.6° |
| C20 | C15 | C16 | 117.0° | 122.0° |
| C15 | C20 | C19 | 122.1° | 120.4° |
| C15 | C20 | N02 | 109.9° | 111.1° |
| C14 | C15 | C16 | 135.0° | 130.4° |
| C15 | C14 | C21 | 123.0° | 112.8° |
| C15 | C14 | C04 | 105.2° | 103.9° |
| C15 | C16 | C17 | 121.6° | 117.2° |
| C15 | C16 | H161 | 119.2° | 121.4° |
| C16 | C17 | C18 | 120.6° | 121.4° |
| C16 | C17 | C53 | 117.4° | 119.3° |
| C17 | C16 | H161 | 119.2° | 121.4° |
| C18 | C17 | C53 | 122.0° | 119.3° |
| C17 | C18 | C19 | 118.8° | 121.7° |
| C17 | C18 | O34 | 121.3° | 119.1° |
| C17 | C53 | C36 | 107.4° | 108.0° |
| C17 | C53 | C52 | 110.2° | 108.6° |
| C17 | C53 | C58 | 106.1° | 106.7° |
| C19 | C20 | N02 | 127.9° | 128.5° |
| C20 | C19 | C18 | 119.8° | 117.3° |
| C20 | C19 | H191 | 120.1° | 121.4° |
| C20 | N02 | C24 | 118.3° | 111.0° |
| C20 | N02 | C04 | 106.6° | 107.6° |
| C07 | C21 | C14 | 112.6° | 117.7° |
| C07 | C21 | N11 | 119.9° | 109.7° |
| C21 | C07 | C22 | 106.0° | 109.2° |
| C21 | C07 | C06 | 111.2° | 110.4° |
| C21 | C07 | C08 | 113.2° | 109.8° |
| C07 | C21 | H211 | 109.0° | 108.4° |
| C14 | C21 | N11 | 100.4° | 105.1° |
| C14 | C21 | H211 | 106.8° | 108.2° |
| C21 | C14 | C04 | 114.9° | 116.5° |
| C21 | N11 | C12 | 102.7° | 103.3° |
| N11 | C21 | H211 | 107.2° | 107.4° |
| C07 | C22 | C23 | 113.4° | 109.5° |
| C22 | C07 | C06 | 113.0° | 109.2° |
| C22 | C07 | C08 | 103.6° | 109.1° |
| C07 | C22 | H222 | 108.5° | 109.5° |
| C07 | C22 | H221 | 108.5° | 109.4° |
| C23 | C22 | H222 | 108.5° | 109.5° |
| C23 | C22 | H221 | 108.5° | 109.4° |
| C22 | C23 | H231 | 109.5° | 109.5° |
| C22 | C23 | H233 | 109.5° | 109.4° |
| C22 | C23 | H232 | 109.4° | 109.5° |
| C24 | N02 | C04 | 121.8° | 111.0° |
| N02 | C24 | H241 | 109.5° | 109.5° |
| N02 | C24 | H242 | 109.5° | 109.5° |
| N02 | C24 | H243 | 109.4° | 109.5° |
| C28 | O27 | C25 | 111.3° | 117.0° |
| O27 | C28 | H283 | 109.5° | 109.4° |
| O27 | C28 | H281 | 109.5° | 109.5° |
| O27 | C28 | H282 | 109.5° | 109.5° |
| C01 | O03 | C46 | 111.7° | 117.0° |
| O03 | C01 | H013 | 109.5° | 109.4° |
| O03 | C01 | H012 | 109.5° | 109.4° |
| O03 | C01 | H011 | 109.4° | 109.5° |
| C05 | C04 | N02 | 114.8° | 109.2° |
| C04 | C05 | C06 | 108.8° | 111.2° |
| C04 | C05 | C25 | 102.5° | 109.1° |
| C04 | C05 | O29 | 114.2° | 109.0° |
| C05 | C04 | H1 | 110.0° | 109.9° |
| C05 | C04 | C14 | 101.8° | 114.7° |
| N02 | C04 | H1 | 112.2° | 109.5° |
| N02 | C04 | C14 | 109.9° | 103.0° |
| C06 | C05 | C25 | 112.5° | 109.6° |
| C06 | C05 | O29 | 106.2° | 108.9° |
| C05 | C06 | C07 | 117.6° | 107.3° |
| C05 | C06 | O30 | 105.5° | 109.7° |
| C05 | C06 | H061 | 110.6° | 109.7° |
| C25 | C05 | O29 | 112.7° | 109.0° |
| C05 | C25 | O26 | 121.5° | 120.0° |
| C05 | C25 | O27 | 118.4° | 120.0° |
| C05 | O29 | H291 | 109.5° | 113.9° |
| C07 | C06 | O30 | 103.7° | 110.9° |
| C06 | C07 | C08 | 109.7° | 109.1° |
| C07 | C06 | H061 | 110.0° | 109.6° |
| C06 | O30 | C31 | 115.0° | 117.0° |
| O30 | C06 | H061 | 108.8° | 109.7° |
| C07 | C08 | C09 | 114.8° | 122.9° |
| C07 | C08 | H081 | 122.6° | 118.5° |
| C09 | C08 | H081 | 122.6° | 118.6° |
| C08 | C09 | H091 | 120.6° | 118.3° |
| N11 | C12 | H121 | 110.6° | 110.4° |
| N11 | C12 | H122 | 110.6° | 110.5° |
| C19 | C18 | O34 | 119.9° | 119.1° |
| C18 | C19 | H191 | 120.1° | 121.3° |
| C18 | O34 | C35 | 113.0° | 117.0° |
| O26 | C25 | O27 | 120.1° | 120.0° |
| C32 | C31 | O30 | 117.1° | 120.0° |
| C32 | C31 | O33 | 123.1° | 120.1° |
| C31 | C32 | H322 | 109.5° | 109.5° |
| C31 | C32 | H323 | 109.4° | 109.5° |
| C31 | C32 | H321 | 109.5° | 109.5° |
| O30 | C31 | O33 | 119.8° | 119.9° |
| O34 | C35 | H352 | 109.5° | 109.5° |
| O34 | C35 | H351 | 109.5° | 109.4° |
| O34 | C35 | H353 | 109.5° | 109.5° |
| C37 | C36 | C53 | 119.6° | 105.4° |
| C36 | C37 | C38 | 109.0° | 121.0° |
| C36 | C37 | C54 | 114.6° | 104.5° |
| C37 | C36 | H362 | 106.9° | 111.0° |
| C37 | C36 | H361 | 106.9° | 111.0° |
| C36 | C37 | H371 | 107.0° | 111.8° |
| C36 | C53 | C52 | 116.5° | 110.1° |
| C36 | C53 | C58 | 112.8° | 111.2° |
| C53 | C36 | H362 | 106.9° | 110.5° |
| C53 | C36 | H361 | 106.8° | 110.4° |
| C38 | C37 | C54 | 110.8° | 101.4° |
| C37 | C38 | C39 | 115.9° | 108.4° |
| C38 | C37 | H371 | 107.1° | 107.4° |
| C37 | C38 | H382 | 107.9° | 109.5° |
| C37 | C38 | H381 | 107.8° | 109.3° |
| C37 | C54 | N41 | 113.7° | 94.6° |
| C54 | C37 | H371 | 108.1° | 109.9° |
| C37 | C54 | H542 | 108.4° | 113.8° |
| C37 | C54 | H541 | 108.4° | 110.8° |
| C38 | C39 | C40 | 106.1° | 114.9° |
| C38 | C39 | C55 | 114.8° | 108.9° |
| C38 | C39 | O57 | 108.5° | 108.0° |
| C39 | C38 | H382 | 107.9° | 109.9° |
| C39 | C38 | H381 | 107.9° | 109.8° |
| C40 | C39 | C55 | 107.4° | 108.8° |
| C40 | C39 | O57 | 111.4° | 108.1° |
| C39 | C40 | N41 | 110.9° | 111.6° |
| C39 | C40 | H401 | 109.1° | 109.1° |
| C39 | C40 | H402 | 109.1° | 109.0° |
| C55 | C39 | O57 | 108.7° | 107.9° |
| C39 | C55 | C56 | 114.9° | 109.5° |
| C39 | C55 | H551 | 108.1° | 109.5° |
| C39 | C55 | H552 | 108.1° | 109.4° |
| C39 | O57 | H571 | 109.5° | 114.0° |
| C40 | N41 | C42 | 124.1° | 123.4° |
| C40 | N41 | C54 | 116.1° | 105.0° |
| N41 | C40 | H401 | 109.1° | 109.4° |
| N41 | C40 | H402 | 109.1° | 109.3° |
| C43 | C42 | N41 | 116.1° | 102.5° |
| C42 | C43 | C44 | 113.1° | 108.1° |
| C43 | C42 | H422 | 107.8° | 111.0° |
| C43 | C42 | H421 | 107.8° | 110.5° |
| C42 | C43 | H431 | 108.6° | 110.5° |
| C42 | C43 | H432 | 108.6° | 108.6° |
| C42 | N41 | C54 | 117.1° | 104.5° |
| N41 | C42 | H422 | 107.8° | 111.4° |
| N41 | C42 | H421 | 107.8° | 111.1° |
| C43 | C44 | C45 | 115.9° | 121.7° |
| C43 | C44 | C52 | 134.7° | 131.1° |
| C44 | C43 | H431 | 108.6° | 112.6° |
| C44 | C43 | H432 | 108.5° | 108.7° |
| C45 | C44 | C52 | 109.4° | 107.1° |
| C44 | C45 | C46 | 132.7° | 132.0° |
| C44 | C45 | C50 | 106.0° | 106.6° |
| C44 | C52 | C53 | 126.6° | 132.1° |
| C44 | C52 | N51 | 108.0° | 108.4° |
| C46 | C45 | C50 | 121.3° | 121.4° |
| C45 | C46 | C47 | 116.9° | 116.6° |
| C45 | C46 | O03 | 120.5° | 122.2° |
| C45 | C50 | C49 | 121.5° | 121.0° |
| C45 | C50 | N51 | 110.3° | 106.8° |
| C47 | C46 | O03 | 122.7° | 121.2° |
| C46 | C47 | C48 | 122.0° | 121.8° |
| C46 | C47 | F62 | 120.7° | 119.0° |
| C48 | C47 | F62 | 117.3° | 119.1° |
| C47 | C48 | C49 | 120.6° | 122.2° |
| C47 | C48 | F63 | 121.7° | 118.9° |
| C49 | C48 | F63 | 117.7° | 118.9° |
| C48 | C49 | C50 | 117.8° | 117.0° |
| C48 | C49 | H491 | 121.1° | 121.5° |
| C49 | C50 | N51 | 128.2° | 132.2° |
| C50 | C49 | H491 | 121.1° | 121.5° |
| C50 | N51 | C52 | 106.2° | 110.8° |
| C50 | N51 | H511 | 126.9° | 123.6° |
| C53 | C52 | N51 | 125.4° | 119.5° |
| C52 | C53 | C58 | 103.4° | 112.1° |
| C52 | N51 | H511 | 126.9° | 125.6° |
| C53 | C58 | O59 | 119.9° | 120.0° |
| C53 | C58 | O60 | 112.6° | 120.0° |
| N41 | C54 | H542 | 108.4° | 114.2° |
| N41 | C54 | H541 | 108.4° | 111.0° |
| C56 | C55 | H551 | 108.1° | 109.5° |
| C56 | C55 | H552 | 108.1° | 109.5° |
| C55 | C56 | H563 | 109.5° | 109.4° |
| C55 | C56 | H562 | 109.4° | 109.4° |
| C55 | C56 | H561 | 109.5° | 109.4° |
| O59 | C58 | O60 | 127.5° | 120.0° |
| C58 | O60 | C61 | 119.2° | 117.0° |
| O60 | C61 | H612 | 109.5° | 109.5° |
| O60 | C61 | H613 | 109.5° | 109.4° |
| O60 | C61 | H611 | 109.5° | 109.4° |
| H102 | C10 | H3 | 109.5° | 109.6° |
| H131 | C13 | H132 | 109.5° | 110.4° |
| H222 | C22 | H221 | 109.5° | 109.5° |
| H241 | C24 | H242 | 109.5° | 109.5° |
| H241 | C24 | H243 | 109.4° | 109.4° |
| H242 | C24 | H243 | 109.5° | 109.5° |
| H283 | C28 | H281 | 109.5° | 109.5° |
| H283 | C28 | H282 | 109.4° | 109.5° |
| H281 | C28 | H282 | 109.5° | 109.5° |
| H013 | C01 | H012 | 109.5° | 109.5° |
| H013 | C01 | H011 | 109.5° | 109.5° |
| H012 | C01 | H011 | 109.5° | 109.5° |
| H1 | C04 | C14 | 107.5° | 110.4° |
| H121 | C12 | H122 | 109.5° | 110.5° |
| H231 | C23 | H233 | 109.4° | 109.5° |
| H231 | C23 | H232 | 109.5° | 109.5° |
| H233 | C23 | H232 | 109.5° | 109.5° |
| H322 | C32 | H323 | 109.5° | 109.4° |
| H322 | C32 | H321 | 109.4° | 109.4° |
| H323 | C32 | H321 | 109.5° | 109.4° |
| H352 | C35 | H351 | 109.5° | 109.4° |
| H352 | C35 | H353 | 109.5° | 109.5° |
| H351 | C35 | H353 | 109.5° | 109.5° |
| H362 | C36 | H361 | 109.4° | 108.6° |
| H382 | C38 | H381 | 109.5° | 109.8° |
| H401 | C40 | H402 | 109.4° | 108.4° |
| H422 | C42 | H421 | 109.5° | 110.2° |
| H431 | C43 | H432 | 109.4° | 108.2° |
| H542 | C54 | H541 | 109.5° | 111.4° |
| H551 | C55 | H552 | 109.5° | 109.5° |
| H563 | C56 | H562 | 109.4° | 109.5° |
| H563 | C56 | H561 | 109.4° | 109.5° |
| H562 | C56 | H561 | 109.5° | 109.5° |
| H612 | C61 | H613 | 109.5° | 109.5° |
| H612 | C61 | H611 | 109.5° | 109.5° |
| H613 | C61 | H611 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C09 | C10 | N11 | H102 | 120.6° | 119.9° |
| C09 | C10 | N11 | H3 | 120.6° | 119.9° |
| C09 | C10 | N11 | C21 | 46.8° | 53.9° |
| C10 | C09 | C08 | C07 | 24.7° | 0.2° |
| C10 | C09 | C08 | H091 | 180.0° | 180.0° |
| C09 | C10 | N11 | C12 | 161.7° | 168.3° |
| C09 | C10 | H102 | H3 | 118.0° | 120.2° |
| C10 | C09 | C08 | H081 | 155.4° | 179.7° |
| C10 | N11 | C12 | C13 | 141.4° | 157.4° |
| C10 | N11 | C21 | C07 | 64.7° | 69.8° |
| C10 | N11 | C21 | C14 | 171.5° | 162.8° |
| C10 | N11 | C21 | C12 | 122.8° | 120.6° |
| N11 | C10 | C09 | C08 | 6.9° | 20.5° |
| N11 | C10 | H102 | H3 | 118.0° | 120.2° |
| C10 | N11 | C21 | H211 | 60.1° | 47.7° |
| N11 | C10 | C09 | H091 | 173.1° | 159.5° |
| C10 | N11 | C12 | H121 | 22.1° | 38.7° |
| C10 | N11 | C12 | H122 | 99.3° | 83.8° |
| C12 | C13 | C14 | H131 | 118.9° | 118.7° |
| C12 | C13 | C14 | H132 | 118.9° | 118.8° |
| C12 | C13 | C14 | C15 | 163.2° | 124.5° |
| C12 | C13 | C14 | C21 | 39.9° | 3.0° |
| C13 | C12 | N11 | C21 | 22.7° | 39.7° |
| C13 | C12 | N11 | H121 | 119.3° | 118.7° |
| C13 | C12 | N11 | H122 | 119.3° | 118.8° |
| C12 | C13 | H131 | H132 | 123.1° | 122.4° |
| C13 | C12 | H121 | H122 | 122.1° | 122.6° |
| C12 | C13 | C14 | C04 | 88.4° | 122.3° |
| C13 | C14 | C15 | C20 | 127.7° | 101.5° |
| C13 | C14 | C15 | C21 | 99.0° | 116.6° |
| C13 | C14 | C15 | C04 | 126.7° | 116.4° |
| C13 | C14 | C15 | C16 | 49.5° | 78.7° |
| C13 | C14 | C21 | C07 | 175.8° | 149.7° |
| C13 | C14 | C21 | C04 | 135.1° | 120.3° |
| C13 | C14 | C21 | N11 | 55.6° | 27.3° |
| C13 | C14 | C04 | C05 | 132.6° | 148.4° |
| C13 | C14 | C04 | N02 | 105.3° | 93.1° |
| C14 | C13 | C12 | N11 | 11.9° | 22.4° |
| C14 | C13 | H131 | H132 | 123.1° | 122.4° |
| C13 | C14 | C21 | H211 | 56.2° | 87.1° |
| C13 | C14 | C04 | H1 | 17.0° | 23.7° |
| C14 | C13 | C12 | H121 | 131.2° | 96.3° |
| C14 | C13 | C12 | H122 | 107.3° | 141.2° |
| C20 | C15 | C14 | C16 | 177.1° | 179.8° |
| C20 | C15 | C16 | C17 | 1.0° | 0.3° |
| C15 | C20 | C19 | N02 | 179.3° | 179.4° |
| C20 | C15 | C14 | C21 | 133.3° | 141.9° |
| C15 | C20 | N02 | C24 | 147.5° | 104.3° |
| C15 | C20 | N02 | C04 | 5.8° | 17.4° |
| C15 | C20 | C19 | C18 | 1.2° | 0.3° |
| C20 | C15 | C16 | H161 | 179.0° | 179.7° |
| C15 | C20 | C19 | H191 | 178.8° | 179.7° |
| C20 | C15 | C14 | C04 | 1.0° | 14.9° |
| C14 | C15 | C16 | C17 | 175.9° | 179.4° |
| C14 | C15 | C20 | C19 | 176.8° | 179.4° |
| C14 | C15 | C20 | N02 | 2.6° | 1.2° |
| C15 | C14 | C21 | C07 | 81.3° | 90.7° |
| C15 | C14 | C21 | C04 | 130.4° | 120.1° |
| C15 | C14 | C21 | N11 | 150.1° | 147.0° |
| C15 | C14 | C04 | C05 | 126.9° | 94.4° |
| C15 | C14 | C04 | N02 | 4.8° | 24.0° |
| C15 | C14 | C13 | H131 | 77.9° | 116.8° |
| C15 | C14 | C13 | H132 | 44.3° | 5.6° |
| C15 | C14 | C21 | H211 | 38.3° | 32.5° |
| C15 | C14 | C04 | H1 | 117.5° | 140.9° |
| C14 | C15 | C16 | H161 | 4.1° | 0.5° |
| C15 | C16 | C17 | H161 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 1.5° | 0.0° |
| C15 | C16 | C17 | C53 | 177.4° | 180.0° |
| C16 | C15 | C20 | C19 | 0.9° | 0.5° |
| C16 | C15 | C20 | N02 | 179.7° | 179.0° |
| C16 | C15 | C14 | C21 | 49.5° | 37.9° |
| C16 | C15 | C14 | C04 | 176.2° | 165.0° |
| C16 | C17 | C18 | C53 | 178.8° | 179.9° |
| C16 | C17 | C18 | C19 | 1.7° | 0.2° |
| C16 | C17 | C18 | O34 | 178.9° | 179.9° |
| C16 | C17 | C53 | C36 | 97.8° | 7.7° |
| C16 | C17 | C53 | C52 | 30.0° | 127.0° |
| C16 | C17 | C53 | C58 | 141.4° | 112.0° |
| C17 | C18 | C19 | C20 | 1.6° | 0.0° |
| C17 | C18 | C19 | O34 | 179.4° | 180.0° |
| C17 | C18 | O34 | C35 | 156.2° | 180.0° |
| C18 | C17 | C53 | C36 | 81.1° | 172.4° |
| C18 | C17 | C53 | C52 | 151.1° | 53.1° |
| C18 | C17 | C53 | C58 | 39.8° | 67.9° |
| C18 | C17 | C16 | H161 | 178.5° | 180.0° |
| C17 | C18 | C19 | H191 | 178.5° | 180.0° |
| C53 | C17 | C18 | C19 | 177.1° | 179.8° |
| C53 | C17 | C18 | O34 | 2.2° | 0.2° |
| C17 | C53 | C36 | C37 | 40.1° | 132.2° |
| C17 | C53 | C36 | C52 | 124.1° | 118.4° |
| C17 | C53 | C36 | C58 | 116.6° | 116.8° |
| C17 | C53 | C52 | C44 | 132.5° | 151.7° |
| C17 | C53 | C52 | C58 | 113.1° | 117.7° |
| C17 | C53 | C52 | N51 | 47.8° | 29.0° |
| C17 | C53 | C58 | O59 | 142.4° | 120.0° |
| C17 | C53 | C58 | O60 | 38.9° | 60.0° |
| C53 | C17 | C16 | H161 | 2.6° | 0.1° |
| C17 | C53 | C36 | H362 | 81.4° | 12.2° |
| C17 | C53 | C36 | H361 | 161.5° | 108.0° |
| C19 | C20 | N02 | C24 | 31.8° | 75.2° |
| C19 | C20 | N02 | C04 | 173.6° | 163.2° |
| C20 | C19 | C18 | H191 | 180.0° | 180.0° |
| C20 | C19 | C18 | O34 | 179.1° | 180.0° |
| C20 | N02 | C24 | C04 | 135.7° | 119.7° |
| C20 | N02 | C04 | C05 | 120.2° | 96.6° |
| N02 | C20 | C19 | C18 | 179.5° | 179.1° |
| C20 | N02 | C24 | H241 | 180.0° | 59.9° |
| C20 | N02 | C24 | H242 | 60.0° | 179.9° |
| C20 | N02 | C24 | H243 | 60.0° | 60.1° |
| C20 | N02 | C04 | H1 | 113.2° | 143.1° |
| N02 | C20 | C19 | H191 | 0.5° | 0.9° |
| C20 | N02 | C04 | C14 | 6.2° | 25.7° |
| C07 | C21 | C14 | N11 | 128.7° | 122.3° |
| C07 | C21 | C14 | H211 | 119.6° | 123.2° |
| C07 | C21 | N11 | H211 | 124.9° | 117.6° |
| C21 | C07 | C22 | C06 | 122.0° | 120.8° |
| C21 | C07 | C22 | C08 | 119.3° | 120.0° |
| C21 | C07 | C22 | C23 | 66.4° | 80.7° |
| C21 | C07 | C06 | C05 | 39.1° | 61.8° |
| C21 | C07 | C06 | C08 | 126.0° | 120.7° |
| C21 | C07 | C06 | O30 | 155.1° | 58.0° |
| C21 | C07 | C08 | C09 | 12.1° | 12.8° |
| C07 | C21 | N11 | C12 | 172.5° | 169.6° |
| C21 | C07 | C22 | H222 | 173.0° | 159.2° |
| C21 | C07 | C22 | H221 | 54.2° | 39.2° |
| C21 | C07 | C06 | H061 | 88.7° | 179.2° |
| C21 | C07 | C08 | H081 | 168.0° | 167.2° |
| C07 | C21 | C14 | C04 | 49.1° | 29.4° |
| C14 | C21 | N11 | H211 | 111.4° | 115.1° |
| C14 | C21 | C07 | C22 | 98.2° | 74.2° |
| C21 | C14 | C04 | C05 | 11.7° | 30.3° |
| C21 | C14 | C04 | N02 | 133.7° | 148.8° |
| C14 | C21 | C07 | C06 | 25.0° | 45.8° |
| C14 | C21 | C07 | C08 | 149.0° | 166.1° |
| C14 | C21 | N11 | C12 | 48.7° | 42.2° |
| C21 | C14 | C13 | H131 | 158.8° | 121.7° |
| C21 | C14 | C13 | H132 | 79.0° | 115.9° |
| C21 | C14 | C04 | H1 | 103.9° | 94.4° |
| N11 | C21 | C07 | C22 | 144.2° | 165.8° |
| N11 | C21 | C07 | C06 | 92.7° | 74.1° |
| N11 | C21 | C07 | C08 | 31.3° | 46.2° |
| C21 | N11 | C10 | H102 | 167.4° | 173.8° |
| C21 | N11 | C12 | H121 | 96.6° | 79.0° |
| C21 | N11 | C12 | H122 | 141.9° | 158.4° |
| N11 | C21 | C14 | C04 | 79.5° | 92.9° |
| C21 | N11 | C10 | H3 | 73.9° | 66.0° |
| C07 | C22 | C23 | H222 | 120.6° | 120.1° |
| C07 | C22 | C23 | H221 | 120.6° | 119.9° |
| C22 | C07 | C06 | C05 | 158.1° | 58.3° |
| C22 | C07 | C06 | C08 | 115.0° | 119.2° |
| C22 | C07 | C06 | O30 | 85.9° | 178.1° |
| C22 | C07 | C08 | C09 | 102.2° | 132.5° |
| C22 | C07 | C21 | H211 | 20.1° | 48.9° |
| C07 | C22 | H222 | H221 | 118.2° | 120.0° |
| C22 | C07 | C06 | H061 | 30.4° | 60.7° |
| C22 | C07 | C08 | H081 | 77.8° | 47.6° |
| C07 | C22 | C23 | H231 | 180.0° | 59.9° |
| C07 | C22 | C23 | H233 | 60.0° | 60.1° |
| C07 | C22 | C23 | H232 | 60.0° | 180.0° |
| C23 | C22 | C07 | C06 | 171.6° | 158.4° |
| C23 | C22 | C07 | C08 | 53.0° | 39.3° |
| C23 | C22 | H222 | H221 | 118.2° | 119.9° |
| C22 | C23 | H231 | H233 | 120.0° | 119.9° |
| C22 | C23 | H231 | H232 | 120.0° | 120.1° |
| C22 | C23 | H233 | H232 | 120.0° | 120.0° |
| C24 | N02 | C04 | C05 | 99.7° | 141.7° |
| N02 | C24 | H241 | H242 | 120.0° | 120.0° |
| N02 | C24 | H241 | H243 | 120.0° | 120.0° |
| N02 | C24 | H242 | H243 | 120.0° | 120.0° |
| C24 | N02 | C04 | H1 | 26.8° | 21.4° |
| C24 | N02 | C04 | C14 | 146.3° | 96.0° |
| C28 | O27 | C25 | C05 | 172.4° | 180.0° |
| C28 | O27 | C25 | O26 | 5.5° | 0.1° |
| O27 | C28 | H283 | H281 | 120.0° | 120.0° |
| O27 | C28 | H283 | H282 | 120.0° | 120.0° |
| O27 | C28 | H281 | H282 | 120.0° | 120.1° |
| C01 | O03 | C46 | C45 | 130.4° | 96.5° |
| C01 | O03 | C46 | C47 | 49.3° | 83.3° |
| O03 | C01 | H013 | H012 | 120.0° | 119.9° |
| O03 | C01 | H013 | H011 | 120.0° | 120.0° |
| O03 | C01 | H012 | H011 | 120.0° | 120.1° |
| C05 | C04 | N02 | H1 | 126.6° | 120.3° |
| C05 | C04 | N02 | C14 | 114.0° | 122.2° |
| C04 | C05 | C06 | C25 | 112.9° | 120.7° |
| C04 | C05 | C06 | O29 | 123.4° | 120.2° |
| C04 | C05 | C25 | O29 | 123.2° | 119.0° |
| C04 | C05 | C06 | C07 | 81.4° | 64.3° |
| C04 | C05 | C06 | O30 | 163.6° | 56.2° |
| C04 | C05 | C25 | O26 | 96.7° | 4.7° |
| C04 | C05 | C25 | O27 | 81.1° | 175.4° |
| C05 | C04 | H1 | C14 | 110.1° | 127.4° |
| C04 | C05 | C06 | H061 | 46.0° | 176.7° |
| C04 | C05 | O29 | H291 | 105.8° | 180.0° |
| N02 | C04 | C05 | C06 | 74.3° | 163.3° |
| N02 | C04 | C05 | C25 | 45.0° | 42.3° |
| N02 | C04 | C05 | O29 | 167.2° | 76.6° |
| C04 | N02 | C24 | H241 | 44.3° | 179.6° |
| C04 | N02 | C24 | H242 | 75.7° | 60.4° |
| C04 | N02 | C24 | H243 | 164.3° | 59.6° |
| N02 | C04 | H1 | C14 | 120.9° | 112.7° |
| C06 | C05 | C25 | O29 | 120.1° | 119.1° |
| C05 | C06 | C07 | O30 | 115.9° | 119.8° |
| C05 | C06 | C07 | H061 | 127.8° | 119.0° |
| C05 | C06 | O30 | H061 | 118.7° | 120.5° |
| C05 | C06 | C07 | C08 | 86.8° | 177.5° |
| C06 | C05 | C25 | O26 | 146.5° | 117.2° |
| C06 | C05 | C25 | O27 | 35.6° | 62.7° |
| C05 | C06 | O30 | C31 | 129.4° | 90.0° |
| C06 | C05 | C04 | H1 | 158.0° | 76.5° |
| C06 | C05 | O29 | H291 | 134.3° | 58.5° |
| C06 | C05 | C04 | C14 | 44.3° | 48.4° |
| C25 | C05 | C06 | C07 | 165.7° | 56.4° |
| C25 | C05 | C06 | O30 | 50.7° | 176.9° |
| C05 | C25 | O26 | O27 | 177.8° | 179.9° |
| C25 | C05 | C04 | H1 | 82.6° | 162.5° |
| C25 | C05 | C06 | H061 | 66.9° | 62.6° |
| C25 | C05 | O29 | H291 | 10.6° | 61.0° |
| C25 | C05 | C04 | C14 | 163.6° | 72.6° |
| O29 | C05 | C06 | C07 | 41.9° | 175.5° |
| O29 | C05 | C06 | O30 | 73.1° | 63.9° |
| O29 | C05 | C25 | O26 | 26.4° | 123.7° |
| O29 | C05 | C25 | O27 | 155.7° | 56.4° |
| O29 | C05 | C04 | H1 | 39.5° | 43.5° |
| O29 | C05 | C06 | H061 | 169.4° | 56.6° |
| O29 | C05 | C04 | C14 | 74.2° | 168.5° |
| C07 | C06 | O30 | H061 | 117.0° | 121.2° |
| C06 | C07 | C08 | C09 | 136.9° | 108.3° |
| C07 | C06 | O30 | C31 | 106.4° | 151.7° |
| C06 | C07 | C21 | H211 | 143.3° | 169.0° |
| C06 | C07 | C22 | H222 | 51.0° | 38.4° |
| C06 | C07 | C22 | H221 | 67.9° | 81.6° |
| C06 | C07 | C08 | H081 | 43.1° | 71.6° |
| O30 | C06 | C07 | C08 | 29.1° | 62.7° |
| C06 | O30 | C31 | C32 | 176.9° | 180.0° |
| C06 | O30 | C31 | O33 | 3.4° | 0.0° |
| C07 | C08 | C09 | H081 | 180.0° | 180.0° |
| C08 | C07 | C21 | H211 | 92.7° | 70.8° |
| C08 | C07 | C22 | H222 | 67.6° | 80.8° |
| C08 | C07 | C22 | H221 | 173.5° | 159.2° |
| C08 | C07 | C06 | H061 | 145.4° | 58.5° |
| C07 | C08 | C09 | H091 | 155.4° | 179.8° |
| C08 | C09 | C10 | H102 | 127.5° | 140.4° |
| C08 | C09 | C10 | H3 | 113.8° | 99.4° |
| C12 | N11 | C10 | H102 | 77.6° | 71.8° |
| N11 | C12 | C13 | H131 | 130.9° | 96.3° |
| N11 | C12 | C13 | H132 | 107.0° | 141.3° |
| C12 | N11 | C21 | H211 | 62.7° | 72.8° |
| N11 | C12 | H121 | H122 | 122.2° | 122.6° |
| C12 | N11 | C10 | H3 | 41.1° | 48.4° |
| C19 | C18 | O34 | C35 | 24.4° | 0.0° |
| O34 | C18 | C19 | H191 | 0.9° | 0.0° |
| C18 | O34 | C35 | H352 | 180.0° | 60.0° |
| C18 | O34 | C35 | H351 | 60.0° | 60.0° |
| C18 | O34 | C35 | H353 | 60.0° | 180.0° |
| C25 | O27 | C28 | H283 | 180.0° | 60.0° |
| C25 | O27 | C28 | H281 | 60.0° | 180.0° |
| C25 | O27 | C28 | H282 | 60.0° | 60.0° |
| C32 | C31 | O30 | O33 | 179.7° | 180.0° |
| C31 | C32 | H322 | H323 | 120.0° | 120.0° |
| C31 | C32 | H322 | H321 | 120.0° | 120.1° |
| C31 | C32 | H323 | H321 | 120.0° | 120.0° |
| C31 | O30 | C06 | H061 | 10.6° | 30.6° |
| O30 | C31 | C32 | H322 | 179.7° | 0.0° |
| O30 | C31 | C32 | H323 | 60.3° | 120.0° |
| O30 | C31 | C32 | H321 | 59.8° | 120.0° |
| O33 | C31 | C32 | H322 | 0.0° | 180.0° |
| O33 | C31 | C32 | H323 | 120.0° | 60.0° |
| O33 | C31 | C32 | H321 | 120.0° | 60.0° |
| O34 | C35 | H352 | H351 | 120.0° | 119.9° |
| O34 | C35 | H352 | H353 | 120.0° | 120.1° |
| O34 | C35 | H351 | H353 | 120.0° | 120.0° |
| C37 | C36 | C53 | H362 | 121.5° | 120.0° |
| C37 | C36 | C53 | H361 | 121.5° | 119.9° |
| C36 | C37 | C38 | C54 | 126.9° | 114.8° |
| C36 | C37 | C38 | H371 | 115.4° | 130.0° |
| C36 | C37 | C54 | H371 | 119.2° | 120.1° |
| C36 | C37 | C38 | C39 | 78.3° | 178.5° |
| C37 | C36 | C53 | C52 | 84.0° | 13.8° |
| C37 | C36 | C53 | C58 | 156.6° | 111.1° |
| C36 | C37 | C54 | N41 | 78.3° | 147.5° |
| C37 | C36 | H362 | H361 | 115.4° | 122.2° |
| C36 | C37 | C38 | H382 | 42.6° | 58.6° |
| C36 | C37 | C38 | H381 | 160.8° | 61.8° |
| C36 | C37 | C54 | H542 | 161.1° | 28.5° |
| C36 | C37 | C54 | H541 | 42.3° | 97.9° |
| C53 | C36 | C37 | C38 | 170.5° | 166.8° |
| C53 | C36 | C37 | C54 | 64.8° | 80.1° |
| C36 | C53 | C52 | C44 | 9.9° | 90.3° |
| C36 | C53 | C52 | C58 | 124.3° | 124.3° |
| C36 | C53 | C52 | N51 | 170.4° | 89.0° |
| C36 | C53 | C58 | O59 | 25.1° | 2.5° |
| C36 | C53 | C58 | O60 | 156.2° | 177.5° |
| C53 | C36 | H362 | H361 | 115.4° | 121.3° |
| C53 | C36 | C37 | H371 | 55.0° | 38.8° |
| C38 | C37 | C54 | H371 | 117.0° | 113.4° |
| C37 | C38 | C39 | H382 | 120.9° | 119.7° |
| C37 | C38 | C39 | H381 | 120.9° | 119.4° |
| C37 | C38 | C39 | C40 | 52.9° | 38.7° |
| C37 | C38 | C39 | C55 | 171.3° | 83.6° |
| C37 | C38 | C39 | O57 | 66.9° | 159.5° |
| C38 | C37 | C54 | N41 | 45.5° | 86.0° |
| C38 | C37 | C36 | H362 | 49.0° | 47.1° |
| C38 | C37 | C36 | H361 | 68.1° | 73.7° |
| C37 | C38 | H382 | H381 | 117.1° | 120.1° |
| C38 | C37 | C54 | H542 | 75.2° | 155.0° |
| C38 | C37 | C54 | H541 | 166.1° | 28.5° |
| C54 | C37 | C38 | C39 | 48.6° | 63.7° |
| C37 | C54 | N41 | C40 | 53.0° | 84.4° |
| C37 | C54 | N41 | C42 | 109.0° | 144.5° |
| C37 | C54 | N41 | H542 | 120.6° | 118.7° |
| C37 | C54 | N41 | H541 | 120.6° | 114.3° |
| C54 | C37 | C36 | H362 | 173.7° | 160.3° |
| C54 | C37 | C36 | H361 | 56.6° | 39.5° |
| C54 | C37 | C38 | H382 | 169.6° | 56.2° |
| C54 | C37 | C38 | H381 | 72.3° | 176.6° |
| C37 | C54 | H542 | H541 | 118.1° | 126.1° |
| C38 | C39 | C40 | C55 | 123.2° | 122.4° |
| C38 | C39 | C40 | O57 | 117.9° | 120.7° |
| C38 | C39 | C55 | O57 | 121.7° | 117.0° |
| C38 | C39 | C40 | N41 | 55.0° | 36.2° |
| C38 | C39 | C55 | C56 | 28.3° | 63.2° |
| C39 | C38 | C37 | H371 | 166.3° | 51.5° |
| C39 | C38 | H382 | H381 | 117.1° | 121.0° |
| C38 | C39 | C40 | H401 | 175.2° | 84.8° |
| C38 | C39 | C40 | H402 | 65.2° | 157.0° |
| C38 | C39 | C55 | H551 | 92.5° | 56.7° |
| C38 | C39 | C55 | H552 | 149.1° | 176.8° |
| C38 | C39 | O57 | H571 | 180.0° | 179.9° |
| C40 | C39 | C55 | O57 | 120.6° | 117.0° |
| C39 | C40 | N41 | H401 | 120.2° | 120.8° |
| C39 | C40 | N41 | H402 | 120.2° | 120.6° |
| C39 | C40 | N41 | C42 | 102.0° | 179.4° |
| C39 | C40 | N41 | C54 | 58.6° | 60.3° |
| C40 | C39 | C55 | C56 | 146.0° | 170.8° |
| C40 | C39 | C38 | H382 | 173.8° | 80.9° |
| C40 | C39 | C38 | H381 | 68.0° | 158.1° |
| C39 | C40 | H401 | H402 | 119.3° | 118.6° |
| C40 | C39 | C55 | H551 | 25.2° | 69.2° |
| C40 | C39 | C55 | H552 | 93.2° | 50.8° |
| C40 | C39 | O57 | H571 | 63.6° | 55.2° |
| C55 | C39 | C40 | N41 | 178.2° | 86.2° |
| C39 | C55 | C56 | H551 | 120.8° | 120.0° |
| C39 | C55 | C56 | H552 | 120.8° | 120.0° |
| C55 | C39 | C38 | H382 | 67.8° | 156.7° |
| C55 | C39 | C38 | H381 | 50.4° | 35.8° |
| C55 | C39 | C40 | H401 | 61.6° | 152.8° |
| C55 | C39 | C40 | H402 | 57.9° | 34.6° |
| C39 | C55 | H551 | H552 | 117.5° | 120.0° |
| C39 | C55 | C56 | H563 | 180.0° | 173.4° |
| C39 | C55 | C56 | H562 | 60.0° | 53.4° |
| C39 | C55 | C56 | H561 | 60.0° | 66.6° |
| C55 | C39 | O57 | H571 | 54.5° | 62.3° |
| O57 | C39 | C40 | N41 | 62.9° | 156.9° |
| O57 | C39 | C55 | C56 | 93.4° | 53.8° |
| O57 | C39 | C38 | H382 | 54.0° | 39.8° |
| O57 | C39 | C38 | H381 | 172.2° | 81.1° |
| O57 | C39 | C40 | H401 | 57.3° | 35.9° |
| O57 | C39 | C40 | H402 | 176.8° | 82.3° |
| O57 | C39 | C55 | H551 | 145.8° | 173.8° |
| O57 | C39 | C55 | H552 | 27.4° | 66.2° |
| C40 | N41 | C42 | C43 | 98.4° | 177.7° |
| C40 | N41 | C42 | C54 | 160.4° | 119.3° |
| N41 | C40 | H401 | H402 | 119.4° | 119.1° |
| C40 | N41 | C42 | H422 | 140.6° | 59.0° |
| C40 | N41 | C42 | H421 | 22.5° | 64.3° |
| C40 | N41 | C54 | H542 | 67.6° | 156.9° |
| C40 | N41 | C54 | H541 | 173.7° | 29.9° |
| C43 | C42 | N41 | H422 | 121.0° | 118.7° |
| C43 | C42 | N41 | H421 | 121.0° | 118.0° |
| C42 | C43 | C44 | H431 | 120.6° | 122.4° |
| C42 | C43 | C44 | H432 | 120.5° | 117.7° |
| C42 | C43 | C44 | C45 | 83.5° | 72.9° |
| C42 | C43 | C44 | C52 | 98.7° | 108.6° |
| C43 | C42 | N41 | C54 | 62.0° | 63.0° |
| C43 | C42 | H422 | H421 | 117.0° | 122.7° |
| C42 | C43 | H431 | H432 | 118.4° | 118.8° |
| N41 | C42 | C43 | C44 | 88.9° | 36.3° |
| C42 | N41 | C40 | H401 | 18.3° | 58.6° |
| C42 | N41 | C40 | H402 | 137.8° | 59.9° |
| N41 | C42 | H422 | H421 | 117.0° | 123.8° |
| N41 | C42 | C43 | H431 | 31.7° | 87.4° |
| N41 | C42 | C43 | H432 | 150.6° | 154.1° |
| C42 | N41 | C54 | H542 | 130.4° | 25.8° |
| C42 | N41 | C54 | H541 | 11.7° | 101.2° |
| C43 | C44 | C45 | C52 | 178.3° | 178.8° |
| C43 | C44 | C45 | C46 | 0.3° | 2.3° |
| C43 | C44 | C45 | C50 | 178.6° | 177.9° |
| C43 | C44 | C52 | C53 | 1.8° | 3.2° |
| C43 | C44 | C52 | N51 | 178.0° | 176.1° |
| C44 | C43 | C42 | H422 | 32.1° | 82.7° |
| C44 | C43 | C42 | H421 | 150.2° | 154.8° |
| C44 | C43 | H431 | H432 | 118.3° | 120.2° |
| C44 | C45 | C46 | C50 | 178.8° | 179.8° |
| C44 | C45 | C46 | C47 | 179.3° | 179.8° |
| C44 | C45 | C46 | O03 | 1.1° | 0.1° |
| C44 | C45 | C50 | C49 | 179.4° | 179.7° |
| C44 | C45 | C50 | N51 | 0.5° | 0.0° |
| C45 | C44 | C52 | C53 | 179.7° | 175.5° |
| C45 | C44 | C52 | N51 | 0.1° | 5.2° |
| C45 | C44 | C43 | H431 | 155.9° | 164.8° |
| C45 | C44 | C43 | H432 | 37.0° | 44.8° |
| C52 | C44 | C45 | C46 | 178.6° | 176.5° |
| C52 | C44 | C45 | C50 | 0.3° | 3.3° |
| C44 | C52 | N51 | C50 | 0.2° | 5.5° |
| C44 | C52 | C53 | N51 | 179.7° | 179.2° |
| C44 | C52 | C53 | C58 | 114.4° | 34.1° |
| C52 | C44 | C43 | H431 | 21.9° | 13.7° |
| C52 | C44 | C43 | H432 | 140.8° | 133.7° |
| C44 | C52 | N51 | H511 | 179.8° | 173.0° |
| C45 | C46 | C47 | O03 | 179.7° | 179.8° |
| C45 | C46 | C47 | C48 | 0.6° | 0.1° |
| C45 | C46 | C47 | F62 | 179.8° | 179.9° |
| C46 | C45 | C50 | C49 | 0.3° | 0.1° |
| C46 | C45 | C50 | N51 | 178.6° | 179.8° |
| C50 | C45 | C46 | C47 | 0.5° | 0.0° |
| C50 | C45 | C46 | O03 | 179.9° | 179.9° |
| C45 | C50 | C49 | C48 | 0.3° | 0.0° |
| C45 | C50 | C49 | N51 | 178.8° | 179.6° |
| C45 | C50 | N51 | C52 | 0.4° | 3.2° |
| C45 | C50 | C49 | H491 | 179.7° | 179.9° |
| C45 | C50 | N51 | H511 | 179.6° | 175.3° |
| C46 | C47 | C48 | F62 | 179.6° | 180.0° |
| C46 | C47 | C48 | C49 | 0.6° | 0.2° |
| C46 | C47 | C48 | F63 | 179.9° | 179.7° |
| O03 | C46 | C47 | C48 | 179.7° | 179.7° |
| O03 | C46 | C47 | F62 | 0.2° | 0.3° |
| C46 | O03 | C01 | H013 | 180.0° | 62.5° |
| C46 | O03 | C01 | H012 | 60.0° | 177.5° |
| C46 | O03 | C01 | H011 | 60.0° | 57.5° |
| C47 | C48 | C49 | F63 | 179.3° | 179.8° |
| C47 | C48 | C49 | C50 | 0.5° | 0.1° |
| C47 | C48 | C49 | H491 | 179.5° | 180.0° |
| F62 | C47 | C48 | C49 | 179.8° | 179.8° |
| F62 | C47 | C48 | F63 | 0.5° | 0.3° |
| C48 | C49 | C50 | H491 | 180.0° | 179.9° |
| C48 | C49 | C50 | N51 | 178.4° | 179.6° |
| F63 | C48 | C49 | C50 | 179.8° | 179.7° |
| F63 | C48 | C49 | H491 | 0.2° | 0.2° |
| C49 | C50 | N51 | C52 | 179.3° | 176.4° |
| C49 | C50 | N51 | H511 | 0.7° | 5.0° |
| C50 | N51 | C52 | C53 | 180.0° | 175.1° |
| C50 | N51 | C52 | H511 | 180.0° | 178.5° |
| N51 | C50 | C49 | H491 | 1.6° | 0.3° |
| C52 | C53 | C58 | O59 | 101.6° | 121.2° |
| C52 | C53 | C58 | O60 | 77.1° | 58.8° |
| C52 | C53 | C36 | H362 | 154.5° | 106.2° |
| C52 | C53 | C36 | H361 | 37.4° | 133.6° |
| C53 | C52 | N51 | H511 | 0.0° | 6.4° |
| N51 | C52 | C53 | C58 | 65.3° | 146.7° |
| C53 | C58 | O59 | O60 | 178.5° | 180.0° |
| C53 | C58 | O60 | C61 | 170.0° | 180.0° |
| C58 | C53 | C36 | H362 | 35.2° | 128.9° |
| C58 | C53 | C36 | H361 | 81.9° | 8.8° |
| N41 | C54 | C37 | H371 | 162.5° | 27.4° |
| C54 | N41 | C40 | H401 | 178.9° | 60.5° |
| C54 | N41 | C40 | H402 | 61.6° | 179.0° |
| C54 | N41 | C42 | H422 | 59.0° | 178.4° |
| C54 | N41 | C42 | H421 | 177.1° | 55.0° |
| N41 | C54 | H542 | H541 | 118.0° | 126.8° |
| C56 | C55 | H551 | H552 | 117.6° | 120.0° |
| C55 | C56 | H563 | H562 | 120.0° | 120.0° |
| C55 | C56 | H563 | H561 | 120.0° | 120.0° |
| C55 | C56 | H562 | H561 | 120.0° | 119.9° |
| O59 | C58 | O60 | C61 | 8.6° | 0.0° |
| C58 | O60 | C61 | H612 | 180.0° | 60.0° |
| C58 | O60 | C61 | H613 | 60.0° | 60.0° |
| C58 | O60 | C61 | H611 | 60.0° | 180.0° |
| O60 | C61 | H612 | H613 | 120.0° | 120.0° |
| O60 | C61 | H612 | H611 | 120.0° | 120.0° |
| O60 | C61 | H613 | H611 | 120.0° | 119.9° |
| H102 | C10 | C09 | H091 | 52.5° | 39.6° |
| H131 | C13 | C12 | H121 | 109.9° | 145.0° |
| H131 | C13 | C12 | H122 | 11.6° | 22.4° |
| H131 | C13 | C14 | C04 | 30.6° | 3.5° |
| H132 | C13 | C12 | H121 | 12.3° | 22.6° |
| H132 | C13 | C12 | H122 | 133.8° | 100.0° |
| H132 | C13 | C14 | C04 | 152.7° | 118.9° |
| H211 | C21 | C14 | C04 | 168.7° | 152.6° |
| H222 | C22 | C23 | H231 | 59.4° | 180.0° |
| H222 | C22 | C23 | H233 | 179.4° | 60.0° |
| H222 | C22 | C23 | H232 | 60.6° | 59.9° |
| H221 | C22 | C23 | H231 | 59.4° | 60.0° |
| H221 | C22 | C23 | H233 | 60.6° | 180.0° |
| H221 | C22 | C23 | H232 | 179.4° | 60.1° |
| H241 | C24 | H242 | H243 | 120.0° | 119.9° |
| H283 | C28 | H281 | H282 | 120.0° | 120.0° |
| H013 | C01 | H012 | H011 | 120.0° | 120.0° |
| H081 | C08 | C09 | H091 | 24.6° | 0.2° |
| H091 | C09 | C10 | H3 | 66.3° | 80.6° |
| H231 | C23 | H233 | H232 | 120.0° | 120.0° |
| H322 | C32 | H323 | H321 | 120.0° | 119.9° |
| H352 | C35 | H351 | H353 | 120.0° | 120.0° |
| H362 | C36 | C37 | H371 | 66.5° | 80.9° |
| H361 | C36 | C37 | H371 | 176.4° | 158.3° |
| H371 | C37 | C38 | H382 | 72.8° | 171.5° |
| H371 | C37 | C38 | H381 | 45.3° | 68.2° |
| H371 | C37 | C54 | H542 | 41.8° | 91.6° |
| H371 | C37 | C54 | H541 | 76.9° | 142.0° |
| H422 | C42 | C43 | H431 | 152.6° | 153.7° |
| H422 | C42 | C43 | H432 | 88.4° | 35.1° |
| H421 | C42 | C43 | H431 | 89.3° | 31.1° |
| H421 | C42 | C43 | H432 | 29.6° | 87.5° |
| H551 | C55 | C56 | H563 | 59.2° | 66.6° |
| H551 | C55 | C56 | H562 | 179.2° | 173.3° |
| H551 | C55 | C56 | H561 | 60.8° | 53.4° |
| H552 | C55 | C56 | H563 | 59.2° | 53.4° |
| H552 | C55 | C56 | H562 | 60.8° | 66.6° |
| H552 | C55 | C56 | H561 | 179.2° | 173.4° |
| H563 | C56 | H562 | H561 | 120.0° | 120.1° |
| H612 | C61 | H613 | H611 | 120.0° | 120.1° |
