A1EPT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | N09 | sing | 1.49Å | 0.96Å | |
| C13 | C12 | sing | 1.50Å | 1.45Å | |
| C13 | C14 | doub | 1.38Å | 1.57Å | Aromatic |
| C13 | C18 | sing | 1.40Å | 1.60Å | Aromatic |
| C15 | C14 | sing | 1.39Å | 1.57Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.61Å | Aromatic |
| C15 | C51 | sing | 1.52Å | 1.56Å | |
| C17 | C16 | sing | 1.39Å | 1.58Å | Aromatic |
| C17 | C18 | doub | 1.40Å | 1.53Å | Aromatic |
| C20 | C21 | sing | 1.53Å | 1.56Å | |
| C20 | C05 | sing | 1.53Å | 1.59Å | |
| C22 | N01 | sing | 1.47Å | 1.48Å | |
| C26 | O25 | sing | 1.45Å | 1.43Å | |
| C02 | C03 | sing | 1.52Å | 1.53Å | |
| C02 | N01 | sing | 1.49Å | 1.36Å | |
| C03 | C04 | sing | 1.53Å | 1.29Å | |
| C03 | O27 | sing | 1.43Å | 1.42Å | |
| C04 | C05 | sing | 1.53Å | 1.49Å | |
| C04 | O28 | sing | 1.45Å | 1.61Å | |
| C05 | C06 | sing | 1.50Å | 1.27Å | |
| C05 | C19 | sing | 1.48Å | 1.55Å | |
| C06 | C07 | doub | 1.30Å | 1.20Å | |
| C07 | C08 | sing | 1.50Å | 1.65Å | |
| C08 | N09 | sing | 1.47Å | 1.05Å | |
| C11 | C12 | sing | 1.56Å | 1.00Å | |
| C12 | C19 | sing | 1.50Å | 1.42Å | |
| C16 | O32 | sing | 1.36Å | 1.40Å | |
| C18 | N01 | sing | 1.39Å | 1.63Å | |
| C19 | N09 | sing | 1.46Å | 1.59Å | |
| C23 | O24 | doub | 1.21Å | 1.20Å | |
| C23 | O25 | sing | 1.34Å | 1.42Å | |
| C29 | C30 | sing | 1.51Å | 1.54Å | |
| C29 | O28 | sing | 1.34Å | 1.41Å | |
| C29 | O31 | doub | 1.21Å | 1.19Å | |
| C33 | O32 | sing | 1.43Å | 1.39Å | |
| C34 | C35 | sing | 1.52Å | 1.58Å | |
| C34 | C51 | sing | 1.56Å | 1.57Å | |
| C35 | C36 | sing | 1.52Å | 1.57Å | |
| C35 | C52 | sing | 1.57Å | 1.54Å | |
| C36 | C37 | sing | 1.54Å | 1.54Å | |
| C37 | C38 | sing | 1.54Å | 1.54Å | |
| C37 | C53 | sing | 1.53Å | 1.55Å | |
| C37 | O55 | sing | 1.44Å | 1.42Å | |
| C38 | N39 | sing | 1.45Å | 1.52Å | |
| C40 | C41 | sing | 1.57Å | 1.55Å | |
| C40 | N39 | sing | 1.46Å | 1.48Å | |
| C41 | C42 | sing | 1.52Å | 1.57Å | |
| C42 | C43 | sing | 1.46Å | 1.41Å | Aromatic |
| C42 | C50 | doub | 1.35Å | 1.42Å | Aromatic |
| C43 | C44 | doub | 1.40Å | 1.57Å | Aromatic |
| C43 | C48 | sing | 1.41Å | 1.42Å | Aromatic |
| C44 | C45 | sing | 1.37Å | 1.52Å | Aromatic |
| C45 | C46 | doub | 1.39Å | 1.50Å | Aromatic |
| C46 | C47 | sing | 1.39Å | 1.51Å | Aromatic |
| C46 | O60 | sing | 1.36Å | 1.41Å | |
| C47 | C48 | doub | 1.39Å | 1.57Å | Aromatic |
| C48 | N49 | sing | 1.36Å | 1.40Å | Aromatic |
| C50 | C51 | sing | 1.52Å | 1.55Å | |
| C50 | N49 | sing | 1.39Å | 1.41Å | Aromatic |
| C51 | C56 | sing | 1.51Å | 1.57Å | |
| C52 | N39 | sing | 1.50Å | 1.46Å | |
| C53 | C54 | sing | 1.53Å | 1.56Å | |
| C56 | O57 | doub | 1.21Å | 1.20Å | |
| C56 | O58 | sing | 1.34Å | 1.44Å | |
| C59 | O58 | sing | 1.45Å | 1.43Å | |
| C61 | O60 | sing | 1.43Å | 1.41Å | |
| C03 | C23 | sing | 1.51Å | 1.73Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H213 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C22 | H223 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C26 | H263 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C02 | H2 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C30 | H303 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H333 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.10Å | 1.10Å | |
| C34 | H342 | sing | 1.10Å | 1.10Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å | |
| C38 | H382 | sing | 1.09Å | 1.10Å | |
| C38 | H381 | sing | 1.09Å | 1.10Å | |
| C40 | H402 | sing | 1.09Å | 1.10Å | |
| C40 | H401 | sing | 1.09Å | 1.10Å | |
| C41 | H412 | sing | 1.08Å | 1.10Å | |
| C41 | H411 | sing | 1.10Å | 1.10Å | |
| C44 | H441 | sing | 1.08Å | 1.08Å | |
| C45 | H451 | sing | 1.08Å | 1.08Å | |
| C47 | H471 | sing | 1.08Å | 1.08Å | |
| C52 | H522 | sing | 1.07Å | 1.10Å | |
| C52 | H521 | sing | 1.10Å | 1.10Å | |
| C53 | H531 | sing | 1.09Å | 1.10Å | |
| C53 | H532 | sing | 1.09Å | 1.10Å | |
| C54 | H542 | sing | 1.09Å | 1.10Å | |
| C54 | H543 | sing | 1.09Å | 1.10Å | |
| C54 | H541 | sing | 1.09Å | 1.10Å | |
| C59 | H591 | sing | 1.09Å | 1.10Å | |
| C59 | H593 | sing | 1.09Å | 1.10Å | |
| C59 | H592 | sing | 1.09Å | 1.10Å | |
| C61 | H613 | sing | 1.09Å | 1.10Å | |
| C61 | H611 | sing | 1.09Å | 1.10Å | |
| C61 | H612 | sing | 1.09Å | 1.10Å | |
| N49 | H491 | sing | 0.97Å | 1.00Å | |
| O27 | H271 | sing | 0.97Å | 0.95Å | |
| O55 | H551 | sing | 0.97Å | 0.95Å | |
| C12 | C02 | sing | 1.52Å | 1.84Å | |
| C10 | C11 | sing | 1.55Å | 1.80Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | N09 | C08 | 118.9° | 108.3° |
| C10 | N09 | C19 | 105.9° | 105.6° |
| N09 | C10 | H101 | 110.4° | 110.5° |
| N09 | C10 | H102 | 110.4° | 110.5° |
| N09 | C10 | C11 | 105.7° | 104.0° |
| C12 | C13 | C14 | 135.7° | 129.7° |
| C12 | C13 | C18 | 107.1° | 108.1° |
| C13 | C12 | C11 | 96.3° | 108.0° |
| C13 | C12 | C19 | 111.8° | 112.8° |
| C13 | C12 | C02 | 104.4° | 104.4° |
| C14 | C13 | C18 | 117.1° | 122.1° |
| C13 | C14 | C15 | 122.6° | 117.1° |
| C13 | C14 | H141 | 118.7° | 121.4° |
| C13 | C18 | C17 | 122.6° | 120.4° |
| C13 | C18 | N01 | 111.8° | 111.3° |
| C14 | C15 | C16 | 117.7° | 121.4° |
| C14 | C15 | C51 | 118.5° | 119.3° |
| C15 | C14 | H141 | 118.7° | 121.4° |
| C16 | C15 | C51 | 123.7° | 119.3° |
| C15 | C16 | C17 | 120.3° | 121.8° |
| C15 | C16 | O32 | 125.1° | 119.1° |
| C15 | C51 | C34 | 105.3° | 108.0° |
| C15 | C51 | C50 | 114.1° | 108.7° |
| C15 | C51 | C56 | 108.4° | 106.8° |
| C16 | C17 | C18 | 119.6° | 117.2° |
| C17 | C16 | O32 | 114.6° | 119.1° |
| C16 | C17 | H171 | 120.2° | 121.4° |
| C17 | C18 | N01 | 125.5° | 128.4° |
| C18 | C17 | H171 | 120.2° | 121.4° |
| C21 | C20 | C05 | 114.6° | 109.5° |
| C21 | C20 | H202 | 108.2° | 109.4° |
| C21 | C20 | H201 | 108.2° | 109.5° |
| C20 | C21 | H212 | 109.5° | 109.5° |
| C20 | C21 | H211 | 109.4° | 109.4° |
| C20 | C21 | H213 | 109.5° | 109.5° |
| C20 | C05 | C04 | 104.3° | 106.6° |
| C20 | C05 | C06 | 104.0° | 106.7° |
| C20 | C05 | C19 | 107.0° | 106.3° |
| C05 | C20 | H202 | 108.2° | 109.5° |
| C05 | C20 | H201 | 108.2° | 109.5° |
| C22 | N01 | C02 | 120.7° | 111.0° |
| C22 | N01 | C18 | 116.3° | 111.0° |
| N01 | C22 | H222 | 109.5° | 109.5° |
| N01 | C22 | H223 | 109.5° | 109.5° |
| N01 | C22 | H221 | 109.5° | 109.5° |
| C26 | O25 | C23 | 116.5° | 117.0° |
| O25 | C26 | H263 | 109.5° | 109.5° |
| O25 | C26 | H262 | 109.5° | 109.5° |
| O25 | C26 | H261 | 109.5° | 109.4° |
| C03 | C02 | N01 | 107.6° | 107.5° |
| C02 | C03 | C04 | 109.7° | 108.5° |
| C02 | C03 | O27 | 107.6° | 109.6° |
| C02 | C03 | C23 | 100.8° | 109.6° |
| C03 | C02 | H2 | 109.2° | 110.8° |
| C03 | C02 | C12 | 112.7° | 112.3° |
| C02 | N01 | C18 | 106.2° | 108.7° |
| N01 | C02 | H2 | 111.8° | 110.8° |
| N01 | C02 | C12 | 109.7° | 104.0° |
| C04 | C03 | O27 | 114.0° | 109.6° |
| C03 | C04 | C05 | 120.3° | 107.9° |
| C03 | C04 | O28 | 110.3° | 109.8° |
| C04 | C03 | C23 | 115.0° | 109.6° |
| C03 | C04 | H041 | 108.4° | 109.8° |
| O27 | C03 | C23 | 108.8° | 109.8° |
| C03 | O27 | H271 | 109.5° | 114.0° |
| C05 | C04 | O28 | 106.2° | 109.8° |
| C04 | C05 | C06 | 110.6° | 109.4° |
| C04 | C05 | C19 | 115.3° | 112.7° |
| C05 | C04 | H041 | 105.9° | 109.7° |
| C04 | O28 | C29 | 112.5° | 117.0° |
| O28 | C04 | H041 | 104.7° | 109.8° |
| C06 | C05 | C19 | 114.4° | 114.5° |
| C05 | C06 | C07 | 119.7° | 122.8° |
| C05 | C06 | H061 | 120.2° | 118.6° |
| C05 | C19 | C12 | 118.0° | 121.7° |
| C05 | C19 | N09 | 116.1° | 116.9° |
| C05 | C19 | H191 | 106.2° | 102.2° |
| C06 | C07 | C08 | 118.1° | 121.8° |
| C07 | C06 | H061 | 120.1° | 118.7° |
| C06 | C07 | H071 | 120.9° | 119.1° |
| C07 | C08 | N09 | 111.6° | 110.9° |
| C08 | C07 | H071 | 121.0° | 119.1° |
| C07 | C08 | H081 | 108.9° | 109.2° |
| C07 | C08 | H082 | 108.9° | 109.2° |
| C08 | N09 | C19 | 113.2° | 113.0° |
| N09 | C08 | H081 | 108.9° | 109.2° |
| N09 | C08 | H082 | 109.0° | 109.2° |
| C11 | C12 | C19 | 102.9° | 104.6° |
| C12 | C11 | H112 | 111.6° | 110.7° |
| C12 | C11 | H111 | 111.6° | 110.7° |
| C11 | C12 | C02 | 128.6° | 108.9° |
| C12 | C11 | C10 | 100.8° | 102.9° |
| C12 | C19 | N09 | 102.2° | 110.0° |
| C12 | C19 | H191 | 107.7° | 101.6° |
| C19 | C12 | C02 | 111.6° | 117.8° |
| C16 | O32 | C33 | 116.7° | 117.0° |
| N09 | C19 | H191 | 105.8° | 100.2° |
| O24 | C23 | O25 | 119.1° | 120.0° |
| O24 | C23 | C03 | 119.7° | 120.0° |
| O25 | C23 | C03 | 121.1° | 120.0° |
| C30 | C29 | O28 | 118.8° | 120.0° |
| C30 | C29 | O31 | 120.7° | 120.0° |
| C29 | C30 | H302 | 109.5° | 109.5° |
| C29 | C30 | H303 | 109.5° | 109.5° |
| C29 | C30 | H301 | 109.5° | 109.5° |
| O28 | C29 | O31 | 120.5° | 120.0° |
| O32 | C33 | H332 | 109.5° | 109.5° |
| O32 | C33 | H331 | 109.5° | 109.5° |
| O32 | C33 | H333 | 109.5° | 109.4° |
| C35 | C34 | C51 | 119.8° | 105.5° |
| C34 | C35 | C36 | 111.9° | 120.8° |
| C34 | C35 | C52 | 116.4° | 104.6° |
| C35 | C34 | H341 | 106.8° | 110.9° |
| C35 | C34 | H342 | 106.8° | 110.9° |
| C34 | C35 | H351 | 106.0° | 111.8° |
| C34 | C51 | C50 | 115.5° | 110.0° |
| C34 | C51 | C56 | 112.6° | 111.2° |
| C51 | C34 | H341 | 106.8° | 110.6° |
| C51 | C34 | H342 | 106.8° | 110.5° |
| C36 | C35 | C52 | 109.0° | 101.4° |
| C35 | C36 | C37 | 114.7° | 108.5° |
| C36 | C35 | H351 | 106.2° | 107.5° |
| C35 | C36 | H361 | 108.1° | 109.5° |
| C35 | C36 | H362 | 108.1° | 109.3° |
| C35 | C52 | N39 | 116.9° | 94.7° |
| C52 | C35 | H351 | 106.5° | 109.9° |
| C35 | C52 | H522 | 107.6° | 113.8° |
| C35 | C52 | H521 | 107.6° | 110.7° |
| C36 | C37 | C38 | 109.9° | 114.9° |
| C36 | C37 | C53 | 111.7° | 109.0° |
| C36 | C37 | O55 | 112.3° | 108.0° |
| C37 | C36 | H361 | 108.2° | 109.9° |
| C37 | C36 | H362 | 108.1° | 109.9° |
| C38 | C37 | C53 | 107.9° | 108.8° |
| C38 | C37 | O55 | 106.4° | 108.0° |
| C37 | C38 | N39 | 110.4° | 111.5° |
| C37 | C38 | H382 | 109.2° | 109.0° |
| C37 | C38 | H381 | 109.3° | 109.1° |
| C53 | C37 | O55 | 108.4° | 107.9° |
| C37 | C53 | C54 | 114.9° | 109.5° |
| C37 | C53 | H531 | 108.1° | 109.5° |
| C37 | C53 | H532 | 108.1° | 109.5° |
| C37 | O55 | H551 | 109.5° | 114.0° |
| C38 | N39 | C40 | 125.6° | 123.4° |
| C38 | N39 | C52 | 113.4° | 105.0° |
| N39 | C38 | H382 | 109.3° | 109.4° |
| N39 | C38 | H381 | 109.2° | 109.4° |
| C41 | C40 | N39 | 115.5° | 102.5° |
| C40 | C41 | C42 | 113.7° | 107.8° |
| C41 | C40 | H402 | 107.9° | 110.6° |
| C41 | C40 | H401 | 107.9° | 110.6° |
| C40 | C41 | H412 | 108.4° | 110.7° |
| C40 | C41 | H411 | 108.4° | 108.4° |
| C40 | N39 | C52 | 117.0° | 104.8° |
| N39 | C40 | H402 | 108.0° | 111.3° |
| N39 | C40 | H401 | 108.0° | 111.3° |
| C41 | C42 | C43 | 121.0° | 121.4° |
| C41 | C42 | C50 | 131.2° | 131.5° |
| C42 | C41 | H412 | 108.4° | 112.9° |
| C42 | C41 | H411 | 108.4° | 108.5° |
| C43 | C42 | C50 | 107.7° | 107.1° |
| C42 | C43 | C44 | 132.5° | 131.7° |
| C42 | C43 | C48 | 107.2° | 106.6° |
| C42 | C50 | C51 | 132.5° | 131.9° |
| C42 | C50 | N49 | 108.6° | 108.4° |
| C44 | C43 | C48 | 120.4° | 121.8° |
| C43 | C44 | C45 | 119.4° | 116.7° |
| C43 | C44 | H441 | 120.3° | 121.7° |
| C43 | C48 | C47 | 120.8° | 120.7° |
| C43 | C48 | N49 | 109.3° | 106.8° |
| C44 | C45 | C46 | 120.1° | 122.0° |
| C45 | C44 | H441 | 120.3° | 121.7° |
| C44 | C45 | H451 | 119.9° | 119.0° |
| C45 | C46 | C47 | 119.9° | 122.2° |
| C45 | C46 | O60 | 122.2° | 118.9° |
| C46 | C45 | H451 | 119.9° | 119.0° |
| C47 | C46 | O60 | 117.9° | 118.9° |
| C46 | C47 | C48 | 119.3° | 116.7° |
| C46 | C47 | H471 | 120.3° | 121.6° |
| C46 | O60 | C61 | 118.0° | 117.0° |
| C47 | C48 | N49 | 129.9° | 132.5° |
| C48 | C47 | H471 | 120.3° | 121.7° |
| C48 | N49 | C50 | 107.2° | 110.9° |
| C48 | N49 | H491 | 126.4° | 123.5° |
| C51 | C50 | N49 | 118.8° | 119.7° |
| C50 | C51 | C56 | 101.0° | 111.9° |
| C50 | N49 | H491 | 126.4° | 125.6° |
| C51 | C56 | O57 | 121.4° | 120.0° |
| C51 | C56 | O58 | 117.0° | 120.0° |
| N39 | C52 | H522 | 107.6° | 114.4° |
| N39 | C52 | H521 | 107.6° | 111.0° |
| C54 | C53 | H531 | 108.1° | 109.5° |
| C54 | C53 | H532 | 108.1° | 109.5° |
| C53 | C54 | H542 | 109.5° | 109.5° |
| C53 | C54 | H543 | 109.4° | 109.4° |
| C53 | C54 | H541 | 109.5° | 109.5° |
| O57 | C56 | O58 | 121.5° | 120.1° |
| C56 | O58 | C59 | 117.2° | 117.0° |
| O58 | C59 | H591 | 109.5° | 109.5° |
| O58 | C59 | H593 | 109.4° | 109.5° |
| O58 | C59 | H592 | 109.4° | 109.4° |
| O60 | C61 | H613 | 109.5° | 109.5° |
| O60 | C61 | H611 | 109.5° | 109.5° |
| O60 | C61 | H612 | 109.4° | 109.4° |
| H101 | C10 | H102 | 109.5° | 110.5° |
| H101 | C10 | C11 | 110.4° | 110.5° |
| H102 | C10 | C11 | 110.4° | 110.6° |
| H202 | C20 | H201 | 109.5° | 109.5° |
| H212 | C21 | H211 | 109.5° | 109.5° |
| H212 | C21 | H213 | 109.4° | 109.4° |
| H211 | C21 | H213 | 109.5° | 109.5° |
| H222 | C22 | H223 | 109.4° | 109.5° |
| H222 | C22 | H221 | 109.5° | 109.5° |
| H223 | C22 | H221 | 109.5° | 109.4° |
| H263 | C26 | H262 | 109.4° | 109.4° |
| H263 | C26 | H261 | 109.5° | 109.5° |
| H262 | C26 | H261 | 109.5° | 109.5° |
| H2 | C02 | C12 | 105.9° | 111.2° |
| H081 | C08 | H082 | 109.5° | 109.1° |
| H112 | C11 | H111 | 109.5° | 110.8° |
| H112 | C11 | C10 | 111.6° | 110.8° |
| H111 | C11 | C10 | 111.6° | 110.7° |
| H302 | C30 | H303 | 109.4° | 109.5° |
| H302 | C30 | H301 | 109.5° | 109.4° |
| H303 | C30 | H301 | 109.5° | 109.5° |
| H332 | C33 | H331 | 109.5° | 109.5° |
| H332 | C33 | H333 | 109.5° | 109.4° |
| H331 | C33 | H333 | 109.5° | 109.5° |
| H341 | C34 | H342 | 109.5° | 108.5° |
| H361 | C36 | H362 | 109.5° | 109.7° |
| H382 | C38 | H381 | 109.5° | 108.5° |
| H402 | C40 | H401 | 109.4° | 110.3° |
| H412 | C41 | H411 | 109.5° | 108.5° |
| H522 | C52 | H521 | 109.5° | 111.3° |
| H531 | C53 | H532 | 109.5° | 109.4° |
| H542 | C54 | H543 | 109.5° | 109.5° |
| H542 | C54 | H541 | 109.5° | 109.5° |
| H543 | C54 | H541 | 109.5° | 109.4° |
| H591 | C59 | H593 | 109.5° | 109.5° |
| H591 | C59 | H592 | 109.5° | 109.5° |
| H593 | C59 | H592 | 109.5° | 109.5° |
| H613 | C61 | H611 | 109.5° | 109.5° |
| H613 | C61 | H612 | 109.5° | 109.4° |
| H611 | C61 | H612 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | N09 | C19 | C05 | 141.6° | 164.1° |
| C10 | N09 | C08 | C07 | 167.7° | 167.6° |
| C10 | N09 | C08 | C19 | 125.2° | 116.7° |
| N09 | C10 | C11 | C12 | 41.8° | 34.9° |
| C10 | N09 | C19 | C12 | 11.7° | 19.9° |
| N09 | C10 | H101 | H102 | 121.7° | 122.6° |
| N09 | C10 | H101 | C11 | 116.5° | 114.6° |
| N09 | C10 | H102 | C11 | 116.5° | 114.6° |
| C10 | N09 | C08 | H081 | 47.4° | 47.2° |
| C10 | N09 | C08 | H082 | 72.0° | 72.0° |
| N09 | C10 | C11 | H112 | 76.8° | 83.5° |
| N09 | C10 | C11 | H111 | 160.4° | 153.2° |
| C10 | N09 | C19 | H191 | 100.9° | 86.6° |
| C12 | C13 | C14 | C18 | 176.2° | 179.8° |
| C12 | C13 | C14 | C15 | 178.6° | 179.3° |
| C12 | C13 | C18 | C17 | 179.9° | 179.0° |
| C13 | C12 | C02 | C03 | 112.5° | 132.6° |
| C13 | C12 | C02 | N01 | 7.3° | 16.7° |
| C13 | C12 | C19 | C05 | 85.7° | 103.1° |
| C13 | C12 | C11 | C19 | 114.1° | 120.4° |
| C13 | C12 | C11 | C02 | 114.1° | 112.9° |
| C13 | C12 | C19 | C02 | 116.5° | 121.8° |
| C12 | C13 | C18 | N01 | 3.7° | 2.0° |
| C13 | C12 | C19 | N09 | 145.6° | 114.7° |
| C13 | C12 | C02 | H2 | 128.1° | 102.7° |
| C13 | C12 | C11 | H112 | 40.0° | 143.9° |
| C13 | C12 | C11 | H111 | 82.9° | 20.6° |
| C12 | C13 | C14 | H141 | 1.5° | 0.7° |
| C13 | C12 | C19 | H191 | 34.4° | 9.2° |
| C13 | C12 | C11 | C10 | 158.6° | 97.7° |
| C13 | C14 | C15 | H141 | 180.0° | 179.9° |
| C13 | C14 | C15 | C16 | 0.5° | 0.1° |
| C13 | C14 | C15 | C51 | 176.4° | 180.0° |
| C14 | C13 | C18 | C17 | 2.9° | 0.8° |
| C14 | C13 | C12 | C11 | 52.4° | 54.4° |
| C14 | C13 | C12 | C19 | 54.3° | 60.7° |
| C14 | C13 | C18 | N01 | 179.1° | 178.2° |
| C14 | C13 | C12 | C02 | 175.0° | 170.2° |
| C18 | C13 | C14 | C15 | 2.3° | 0.5° |
| C13 | C18 | C17 | C16 | 1.4° | 0.5° |
| C13 | C18 | C17 | N01 | 175.7° | 178.8° |
| C13 | C18 | N01 | C22 | 128.9° | 135.8° |
| C13 | C18 | N01 | C02 | 8.7° | 13.3° |
| C18 | C13 | C12 | C11 | 131.1° | 125.4° |
| C18 | C13 | C12 | C19 | 122.2° | 119.5° |
| C13 | C18 | C17 | H171 | 178.6° | 179.6° |
| C18 | C13 | C14 | H141 | 177.7° | 179.5° |
| C18 | C13 | C12 | C02 | 1.5° | 9.6° |
| C14 | C15 | C16 | C51 | 176.7° | 179.9° |
| C14 | C15 | C16 | C17 | 1.1° | 0.3° |
| C14 | C15 | C16 | O32 | 177.1° | 179.6° |
| C14 | C15 | C51 | C34 | 89.5° | 7.9° |
| C14 | C15 | C51 | C50 | 38.2° | 127.2° |
| C14 | C15 | C51 | C56 | 149.9° | 111.9° |
| C15 | C16 | C17 | O32 | 176.5° | 179.9° |
| C15 | C16 | C17 | C18 | 0.6° | 0.0° |
| C15 | C16 | O32 | C33 | 75.8° | 180.0° |
| C16 | C15 | C51 | C34 | 87.2° | 172.2° |
| C16 | C15 | C51 | C50 | 145.2° | 52.9° |
| C16 | C15 | C51 | C56 | 33.5° | 68.0° |
| C15 | C16 | C17 | H171 | 179.4° | 179.9° |
| C16 | C15 | C14 | H141 | 179.6° | 180.0° |
| C51 | C15 | C16 | C17 | 177.7° | 179.8° |
| C51 | C15 | C16 | O32 | 6.2° | 0.3° |
| C15 | C51 | C34 | C35 | 46.5° | 132.3° |
| C15 | C51 | C34 | C50 | 126.8° | 118.5° |
| C15 | C51 | C34 | C56 | 117.9° | 116.9° |
| C15 | C51 | C50 | C42 | 133.0° | 152.4° |
| C15 | C51 | C50 | C56 | 116.1° | 117.7° |
| C15 | C51 | C50 | N49 | 51.5° | 28.1° |
| C15 | C51 | C56 | O57 | 139.0° | 120.0° |
| C15 | C51 | C56 | O58 | 42.5° | 60.0° |
| C51 | C15 | C14 | H141 | 3.6° | 0.1° |
| C15 | C51 | C34 | H341 | 75.0° | 12.2° |
| C15 | C51 | C34 | H342 | 168.0° | 107.9° |
| C16 | C17 | C18 | H171 | 180.0° | 179.9° |
| C16 | C17 | C18 | N01 | 177.1° | 178.2° |
| C17 | C16 | O32 | C33 | 108.0° | 0.1° |
| C17 | C18 | N01 | C22 | 47.2° | 45.4° |
| C17 | C18 | N01 | C02 | 175.2° | 167.8° |
| C18 | C17 | C16 | O32 | 177.1° | 179.9° |
| C21 | C20 | C05 | H202 | 120.7° | 120.0° |
| C21 | C20 | C05 | H201 | 120.7° | 120.0° |
| C21 | C20 | C05 | C04 | 179.0° | 60.0° |
| C21 | C20 | C05 | C06 | 63.0° | 56.9° |
| C21 | C20 | C05 | C19 | 58.4° | 179.5° |
| C21 | C20 | H202 | H201 | 117.7° | 120.0° |
| C20 | C21 | H212 | H211 | 120.0° | 120.0° |
| C20 | C21 | H212 | H213 | 120.0° | 120.1° |
| C20 | C21 | H211 | H213 | 120.0° | 120.0° |
| C20 | C05 | C04 | C03 | 159.5° | 163.0° |
| C20 | C05 | C04 | C06 | 111.3° | 115.1° |
| C20 | C05 | C04 | C19 | 117.0° | 116.3° |
| C20 | C05 | C04 | O28 | 74.5° | 77.4° |
| C20 | C05 | C06 | C19 | 116.3° | 117.4° |
| C20 | C05 | C06 | C07 | 120.0° | 123.8° |
| C20 | C05 | C19 | C12 | 102.7° | 119.1° |
| C20 | C05 | C19 | N09 | 135.5° | 101.1° |
| C05 | C20 | H202 | H201 | 117.7° | 120.0° |
| C05 | C20 | C21 | H212 | 180.0° | 60.0° |
| C05 | C20 | C21 | H211 | 60.0° | 60.0° |
| C05 | C20 | C21 | H213 | 60.0° | 180.0° |
| C20 | C05 | C04 | H041 | 36.4° | 43.4° |
| C20 | C05 | C06 | H061 | 60.0° | 56.2° |
| C20 | C05 | C19 | H191 | 18.2° | 7.1° |
| C22 | N01 | C02 | C03 | 110.9° | 99.7° |
| C22 | N01 | C02 | C18 | 135.3° | 122.4° |
| N01 | C22 | H222 | H223 | 120.0° | 120.0° |
| N01 | C22 | H222 | H221 | 120.0° | 120.0° |
| N01 | C22 | H223 | H221 | 120.0° | 120.0° |
| C22 | N01 | C02 | H2 | 9.0° | 21.4° |
| C22 | N01 | C02 | C12 | 126.2° | 141.0° |
| C26 | O25 | C23 | O24 | 22.2° | 0.0° |
| C26 | O25 | C23 | C03 | 155.0° | 180.0° |
| O25 | C26 | H263 | H262 | 120.0° | 120.0° |
| O25 | C26 | H263 | H261 | 120.0° | 120.0° |
| O25 | C26 | H262 | H261 | 120.0° | 120.0° |
| C03 | C02 | N01 | H2 | 119.9° | 121.1° |
| C03 | C02 | N01 | C12 | 122.9° | 119.3° |
| C02 | C03 | C04 | O27 | 120.7° | 119.7° |
| C02 | C03 | C04 | C23 | 112.7° | 119.7° |
| C02 | C03 | O27 | C23 | 108.4° | 120.5° |
| C02 | C03 | C04 | C05 | 65.6° | 72.3° |
| C02 | C03 | C04 | O28 | 170.4° | 168.0° |
| C03 | C02 | C12 | C11 | 137.0° | 112.2° |
| C03 | C02 | C12 | C19 | 8.4° | 6.5° |
| C03 | C02 | N01 | C18 | 113.8° | 137.9° |
| C02 | C03 | C23 | O24 | 76.8° | 120.1° |
| C02 | C03 | C23 | O25 | 100.4° | 59.9° |
| C03 | C02 | H2 | C12 | 121.6° | 125.7° |
| C02 | C03 | C04 | H041 | 56.3° | 47.2° |
| C02 | C03 | O27 | H271 | 94.4° | 179.9° |
| N01 | C02 | C03 | C04 | 83.9° | 63.2° |
| N01 | C02 | C03 | O27 | 151.6° | 177.0° |
| N01 | C02 | C12 | C11 | 103.2° | 131.9° |
| N01 | C02 | C12 | C19 | 128.2° | 109.4° |
| N01 | C02 | C03 | C23 | 37.8° | 56.4° |
| C02 | N01 | C22 | H222 | 180.0° | 69.6° |
| C02 | N01 | C22 | H223 | 60.0° | 170.3° |
| C02 | N01 | C22 | H221 | 60.0° | 50.3° |
| N01 | C02 | H2 | C12 | 119.4° | 115.2° |
| C04 | C03 | O27 | C23 | 129.7° | 120.5° |
| C03 | C04 | C05 | O28 | 126.0° | 119.6° |
| C03 | C04 | C05 | H041 | 123.1° | 119.6° |
| C03 | C04 | O28 | H041 | 116.4° | 120.8° |
| C03 | C04 | C05 | C06 | 89.2° | 81.9° |
| C03 | C04 | C05 | C19 | 42.6° | 46.7° |
| C04 | C03 | C23 | O24 | 165.4° | 120.9° |
| C04 | C03 | C23 | O25 | 17.5° | 59.1° |
| C03 | C04 | O28 | C29 | 114.7° | 90.0° |
| C04 | C03 | C02 | H2 | 154.6° | 175.6° |
| C04 | C03 | O27 | H271 | 143.7° | 60.9° |
| C04 | C03 | C02 | C12 | 37.1° | 50.6° |
| O27 | C03 | C04 | C05 | 55.1° | 47.4° |
| O27 | C03 | C04 | O28 | 68.9° | 72.3° |
| O27 | C03 | C23 | O24 | 36.2° | 0.4° |
| O27 | C03 | C23 | O25 | 146.7° | 179.6° |
| O27 | C03 | C02 | H2 | 30.1° | 55.9° |
| O27 | C03 | C04 | H041 | 177.0° | 166.9° |
| O27 | C03 | C02 | C12 | 87.4° | 69.2° |
| C05 | C04 | O28 | H041 | 111.7° | 120.7° |
| C04 | C05 | C06 | C19 | 132.2° | 127.6° |
| C04 | C05 | C06 | C07 | 128.5° | 121.2° |
| C04 | C05 | C19 | C12 | 12.7° | 2.6° |
| C04 | C05 | C19 | N09 | 109.1° | 142.4° |
| C05 | C04 | O28 | C29 | 113.4° | 151.5° |
| C05 | C04 | C03 | C23 | 178.3° | 168.0° |
| C04 | C05 | C20 | H202 | 60.2° | 180.0° |
| C04 | C05 | C20 | H201 | 58.3° | 60.0° |
| C04 | C05 | C06 | H061 | 51.5° | 58.8° |
| C04 | C05 | C19 | H191 | 133.7° | 109.4° |
| O28 | C04 | C05 | C06 | 36.8° | 37.7° |
| O28 | C04 | C05 | C19 | 168.5° | 166.3° |
| C04 | O28 | C29 | C30 | 150.5° | 180.0° |
| C04 | O28 | C29 | O31 | 29.5° | 0.0° |
| O28 | C04 | C03 | C23 | 57.6° | 48.3° |
| C05 | C06 | C07 | H061 | 180.0° | 180.0° |
| C05 | C06 | C07 | C08 | 32.9° | 0.9° |
| C06 | C05 | C19 | C12 | 142.7° | 123.3° |
| C06 | C05 | C19 | N09 | 20.9° | 16.5° |
| C06 | C05 | C20 | H202 | 176.3° | 63.1° |
| C06 | C05 | C20 | H201 | 57.7° | 176.9° |
| C06 | C05 | C04 | H041 | 147.7° | 158.5° |
| C05 | C06 | C07 | H071 | 147.0° | 179.1° |
| C06 | C05 | C19 | H191 | 96.4° | 124.7° |
| C19 | C05 | C06 | C07 | 3.7° | 6.4° |
| C05 | C19 | N09 | C08 | 9.6° | 45.8° |
| C05 | C19 | C12 | C11 | 172.0° | 139.7° |
| C05 | C19 | C12 | N09 | 128.7° | 142.2° |
| C05 | C19 | C12 | H191 | 120.1° | 112.3° |
| C05 | C19 | N09 | H191 | 117.5° | 109.3° |
| C19 | C05 | C20 | H202 | 62.3° | 59.6° |
| C19 | C05 | C20 | H201 | 179.1° | 60.5° |
| C19 | C05 | C04 | H041 | 80.6° | 72.9° |
| C19 | C05 | C06 | H061 | 176.3° | 173.6° |
| C05 | C19 | C12 | C02 | 30.8° | 18.7° |
| C06 | C07 | C08 | H071 | 180.0° | 180.0° |
| C06 | C07 | C08 | N09 | 65.1° | 29.8° |
| C06 | C07 | C08 | H081 | 55.2° | 90.5° |
| C06 | C07 | C08 | H082 | 174.6° | 150.2° |
| C07 | C08 | N09 | H081 | 120.3° | 120.4° |
| C07 | C08 | N09 | H082 | 120.3° | 120.4° |
| C07 | C08 | N09 | C19 | 42.5° | 50.9° |
| C08 | C07 | C06 | H061 | 147.0° | 179.0° |
| C07 | C08 | H081 | H082 | 119.0° | 119.3° |
| C08 | N09 | C19 | C12 | 120.3° | 98.4° |
| C08 | N09 | C10 | H101 | 19.2° | 154.1° |
| C08 | N09 | C10 | H102 | 102.0° | 31.5° |
| N09 | C08 | C07 | H071 | 114.9° | 150.2° |
| N09 | C08 | H081 | H082 | 119.1° | 119.2° |
| C08 | N09 | C19 | H191 | 127.1° | 155.2° |
| C08 | N09 | C10 | C11 | 138.6° | 87.3° |
| C11 | C12 | C19 | C02 | 141.2° | 121.0° |
| C11 | C12 | C19 | N09 | 43.3° | 2.5° |
| C12 | C11 | C10 | H101 | 77.5° | 83.7° |
| C12 | C11 | C10 | H102 | 161.2° | 153.5° |
| C11 | C12 | C02 | H2 | 17.6° | 12.6° |
| C12 | C11 | H112 | H111 | 124.1° | 123.3° |
| C12 | C11 | H112 | C10 | 111.9° | 113.5° |
| C12 | C11 | H111 | C10 | 111.9° | 113.4° |
| C11 | C12 | C19 | H191 | 67.9° | 108.0° |
| C12 | C19 | N09 | H191 | 112.6° | 106.4° |
| C19 | C12 | C02 | H2 | 111.0° | 131.3° |
| C19 | C12 | C11 | H112 | 74.1° | 95.6° |
| C19 | C12 | C11 | H111 | 163.0° | 141.1° |
| C19 | C12 | C11 | C10 | 44.4° | 22.8° |
| O32 | C16 | C17 | H171 | 2.9° | 0.2° |
| C16 | O32 | C33 | H332 | 180.0° | 60.0° |
| C16 | O32 | C33 | H331 | 60.0° | 60.0° |
| C16 | O32 | C33 | H333 | 60.0° | 180.0° |
| N01 | C18 | C17 | H171 | 2.9° | 1.7° |
| C18 | N01 | C22 | H222 | 48.9° | 51.4° |
| C18 | N01 | C22 | H223 | 168.9° | 68.6° |
| C18 | N01 | C22 | H221 | 71.1° | 171.4° |
| C18 | N01 | C02 | H2 | 126.2° | 101.0° |
| C18 | N01 | C02 | C12 | 9.1° | 18.6° |
| C19 | N09 | C10 | H101 | 109.5° | 84.6° |
| C19 | N09 | C10 | H102 | 129.4° | 152.8° |
| C19 | N09 | C08 | H081 | 77.8° | 69.5° |
| C19 | N09 | C08 | H082 | 162.8° | 171.3° |
| N09 | C19 | C12 | C02 | 97.9° | 123.5° |
| C19 | N09 | C10 | C11 | 9.9° | 34.0° |
| O24 | C23 | O25 | C03 | 177.2° | 180.0° |
| C23 | O25 | C26 | H263 | 180.0° | 180.0° |
| C23 | O25 | C26 | H262 | 60.0° | 60.0° |
| C23 | O25 | C26 | H261 | 60.0° | 60.0° |
| C30 | C29 | O28 | O31 | 179.9° | 180.0° |
| C29 | C30 | H302 | H303 | 120.0° | 120.0° |
| C29 | C30 | H302 | H301 | 120.0° | 120.0° |
| C29 | C30 | H303 | H301 | 120.0° | 120.0° |
| C29 | O28 | C04 | H041 | 1.7° | 30.8° |
| O28 | C29 | C30 | H302 | 179.9° | 90.0° |
| O28 | C29 | C30 | H303 | 60.1° | 150.0° |
| O28 | C29 | C30 | H301 | 59.9° | 30.0° |
| O31 | C29 | C30 | H302 | 0.0° | 90.0° |
| O31 | C29 | C30 | H303 | 120.0° | 30.0° |
| O31 | C29 | C30 | H301 | 120.0° | 150.0° |
| O32 | C33 | H332 | H331 | 120.0° | 120.1° |
| O32 | C33 | H332 | H333 | 120.0° | 120.0° |
| O32 | C33 | H331 | H333 | 120.0° | 120.0° |
| C35 | C34 | C51 | H341 | 121.5° | 120.0° |
| C35 | C34 | C51 | H342 | 121.5° | 119.9° |
| C34 | C35 | C36 | C52 | 130.2° | 114.8° |
| C34 | C35 | C36 | H351 | 115.3° | 129.9° |
| C34 | C35 | C52 | H351 | 118.0° | 120.2° |
| C34 | C35 | C36 | C37 | 83.4° | 178.2° |
| C35 | C34 | C51 | C50 | 80.3° | 13.8° |
| C35 | C34 | C51 | C56 | 164.4° | 110.8° |
| C34 | C35 | C52 | N39 | 82.1° | 147.9° |
| C35 | C34 | H341 | H342 | 115.3° | 122.0° |
| C34 | C35 | C36 | H361 | 37.3° | 58.3° |
| C34 | C35 | C36 | H362 | 155.8° | 61.9° |
| C34 | C35 | C52 | H522 | 156.8° | 28.7° |
| C34 | C35 | C52 | H521 | 38.9° | 97.6° |
| C51 | C34 | C35 | C36 | 175.5° | 166.9° |
| C51 | C34 | C35 | C52 | 58.2° | 80.0° |
| C34 | C51 | C50 | C42 | 10.8° | 89.5° |
| C34 | C51 | C50 | C56 | 121.7° | 124.2° |
| C34 | C51 | C50 | N49 | 173.7° | 90.0° |
| C34 | C51 | C56 | O57 | 22.9° | 2.3° |
| C34 | C51 | C56 | O58 | 158.6° | 177.6° |
| C51 | C34 | H341 | H342 | 115.3° | 121.3° |
| C51 | C34 | C35 | H351 | 60.0° | 38.9° |
| C36 | C35 | C52 | H351 | 114.3° | 113.5° |
| C35 | C36 | C37 | H361 | 120.7° | 119.7° |
| C35 | C36 | C37 | H362 | 120.7° | 119.5° |
| C35 | C36 | C37 | C38 | 54.1° | 38.7° |
| C35 | C36 | C37 | C53 | 173.9° | 83.7° |
| C35 | C36 | C37 | O55 | 64.1° | 159.3° |
| C36 | C35 | C52 | N39 | 45.6° | 85.7° |
| C36 | C35 | C34 | H341 | 54.0° | 47.1° |
| C36 | C35 | C34 | H342 | 63.1° | 73.5° |
| C35 | C36 | H361 | H362 | 117.6° | 120.0° |
| C36 | C35 | C52 | H522 | 75.5° | 155.0° |
| C36 | C35 | C52 | H521 | 166.7° | 28.7° |
| C52 | C35 | C36 | C37 | 46.8° | 63.5° |
| C35 | C52 | N39 | C38 | 52.0° | 84.6° |
| C35 | C52 | N39 | C40 | 106.7° | 144.1° |
| C35 | C52 | N39 | H522 | 121.1° | 118.7° |
| C35 | C52 | N39 | H521 | 121.1° | 114.3° |
| C52 | C35 | C34 | H341 | 179.7° | 160.2° |
| C52 | C35 | C34 | H342 | 63.2° | 39.6° |
| C52 | C35 | C36 | H361 | 167.6° | 56.5° |
| C52 | C35 | C36 | H362 | 73.9° | 176.7° |
| C35 | C52 | H522 | H521 | 116.6° | 125.9° |
| C36 | C37 | C38 | C53 | 122.1° | 122.5° |
| C36 | C37 | C38 | O55 | 121.8° | 120.7° |
| C36 | C37 | C53 | O55 | 124.2° | 117.1° |
| C36 | C37 | C38 | N39 | 56.3° | 36.3° |
| C36 | C37 | C53 | C54 | 44.4° | 62.0° |
| C37 | C36 | C35 | H351 | 161.3° | 51.9° |
| C37 | C36 | H361 | H362 | 117.6° | 120.9° |
| C36 | C37 | C38 | H382 | 176.5° | 84.5° |
| C36 | C37 | C38 | H381 | 63.8° | 157.2° |
| C36 | C37 | C53 | H531 | 76.4° | 58.0° |
| C36 | C37 | C53 | H532 | 165.2° | 178.0° |
| C36 | C37 | O55 | H551 | 180.0° | 180.0° |
| C38 | C37 | C53 | O55 | 114.8° | 116.9° |
| C37 | C38 | N39 | H382 | 120.1° | 120.6° |
| C37 | C38 | N39 | H381 | 120.1° | 120.7° |
| C37 | C38 | N39 | C40 | 100.6° | 180.0° |
| C37 | C38 | N39 | C52 | 55.9° | 60.5° |
| C38 | C37 | C53 | C54 | 165.4° | 172.0° |
| C38 | C37 | C36 | H361 | 174.8° | 81.0° |
| C38 | C37 | C36 | H362 | 66.7° | 158.2° |
| C37 | C38 | H382 | H381 | 119.6° | 118.7° |
| C38 | C37 | C53 | H531 | 44.6° | 68.0° |
| C38 | C37 | C53 | H532 | 73.8° | 51.9° |
| C38 | C37 | O55 | H551 | 59.7° | 55.1° |
| C53 | C37 | C38 | N39 | 178.4° | 86.2° |
| C37 | C53 | C54 | H531 | 120.8° | 120.0° |
| C37 | C53 | C54 | H532 | 120.8° | 120.0° |
| C53 | C37 | C36 | H361 | 65.4° | 156.6° |
| C53 | C37 | C36 | H362 | 53.1° | 35.8° |
| C53 | C37 | C38 | H382 | 61.5° | 153.0° |
| C53 | C37 | C38 | H381 | 58.2° | 34.7° |
| C37 | C53 | H531 | H532 | 117.5° | 120.0° |
| C37 | C53 | C54 | H542 | 180.0° | 173.7° |
| C37 | C53 | C54 | H543 | 60.0° | 53.7° |
| C37 | C53 | C54 | H541 | 60.0° | 66.3° |
| C53 | C37 | O55 | H551 | 56.2° | 62.3° |
| O55 | C37 | C38 | N39 | 65.5° | 157.0° |
| O55 | C37 | C53 | C54 | 79.8° | 55.0° |
| O55 | C37 | C36 | H361 | 56.6° | 39.7° |
| O55 | C37 | C36 | H362 | 175.1° | 81.2° |
| O55 | C37 | C38 | H382 | 54.6° | 36.1° |
| O55 | C37 | C38 | H381 | 174.3° | 82.2° |
| O55 | C37 | C53 | H531 | 159.4° | 175.1° |
| O55 | C37 | C53 | H532 | 41.0° | 65.0° |
| C38 | N39 | C40 | C41 | 96.9° | 178.7° |
| C38 | N39 | C40 | C52 | 155.8° | 119.6° |
| N39 | C38 | H382 | H381 | 119.6° | 119.2° |
| C38 | N39 | C40 | H402 | 142.2° | 60.5° |
| C38 | N39 | C40 | H401 | 24.0° | 63.1° |
| C38 | N39 | C52 | H522 | 69.1° | 156.7° |
| C38 | N39 | C52 | H521 | 173.1° | 29.7° |
| C41 | C40 | N39 | H402 | 120.9° | 118.2° |
| C41 | C40 | N39 | H401 | 120.9° | 118.2° |
| C40 | C41 | C42 | H412 | 120.6° | 122.5° |
| C40 | C41 | C42 | H411 | 120.6° | 117.2° |
| C40 | C41 | C42 | C43 | 81.7° | 71.6° |
| C40 | C41 | C42 | C50 | 97.1° | 109.8° |
| C41 | C40 | N39 | C52 | 58.9° | 61.7° |
| C41 | C40 | H402 | H401 | 117.2° | 122.6° |
| C40 | C41 | H412 | H411 | 118.0° | 118.8° |
| N39 | C40 | C41 | C42 | 92.3° | 37.0° |
| C40 | N39 | C38 | H382 | 19.6° | 59.4° |
| C40 | N39 | C38 | H381 | 139.3° | 59.2° |
| N39 | C40 | H402 | H401 | 117.3° | 124.1° |
| N39 | C40 | C41 | H412 | 28.4° | 86.8° |
| N39 | C40 | C41 | H411 | 147.1° | 154.3° |
| C40 | N39 | C52 | H522 | 132.2° | 25.4° |
| C40 | N39 | C52 | H521 | 14.4° | 101.6° |
| C41 | C42 | C43 | C50 | 179.1° | 178.9° |
| C41 | C42 | C43 | C44 | 0.1° | 0.8° |
| C41 | C42 | C43 | C48 | 179.8° | 179.1° |
| C41 | C42 | C50 | C51 | 3.8° | 2.3° |
| C41 | C42 | C50 | N49 | 179.6° | 177.3° |
| C42 | C41 | C40 | H402 | 28.6° | 81.7° |
| C42 | C41 | C40 | H401 | 146.8° | 155.8° |
| C42 | C41 | H412 | H411 | 118.1° | 120.3° |
| C42 | C43 | C44 | C48 | 179.9° | 179.9° |
| C42 | C43 | C44 | C45 | 179.9° | 179.3° |
| C42 | C43 | C48 | C47 | 179.8° | 179.1° |
| C42 | C43 | C48 | N49 | 0.2° | 0.8° |
| C43 | C42 | C50 | C51 | 177.3° | 176.5° |
| C43 | C42 | C50 | N49 | 1.5° | 3.9° |
| C43 | C42 | C41 | H412 | 157.7° | 165.9° |
| C43 | C42 | C41 | H411 | 39.0° | 45.6° |
| C42 | C43 | C44 | H441 | 0.1° | 0.8° |
| C50 | C42 | C43 | C44 | 179.1° | 178.1° |
| C50 | C42 | C43 | C48 | 0.7° | 2.0° |
| C42 | C50 | N49 | C48 | 1.6° | 4.6° |
| C42 | C50 | C51 | N49 | 175.5° | 179.5° |
| C42 | C50 | C51 | C56 | 110.9° | 34.7° |
| C50 | C42 | C41 | H412 | 23.5° | 12.8° |
| C50 | C42 | C41 | H411 | 142.2° | 133.0° |
| C42 | C50 | N49 | H491 | 178.4° | 173.8° |
| C43 | C44 | C45 | H441 | 180.0° | 179.9° |
| C43 | C44 | C45 | C46 | 0.6° | 0.2° |
| C44 | C43 | C48 | C47 | 0.1° | 1.0° |
| C44 | C43 | C48 | N49 | 179.8° | 179.2° |
| C43 | C44 | C45 | H451 | 179.4° | 179.8° |
| C48 | C43 | C44 | C45 | 0.2° | 0.8° |
| C43 | C48 | C47 | C46 | 0.1° | 0.4° |
| C43 | C48 | C47 | N49 | 180.0° | 179.8° |
| C43 | C48 | N49 | C50 | 1.1° | 3.2° |
| C48 | C43 | C44 | H441 | 179.8° | 179.1° |
| C43 | C48 | C47 | H471 | 179.9° | 179.5° |
| C43 | C48 | N49 | H491 | 178.8° | 175.2° |
| C44 | C45 | C46 | H451 | 180.0° | 179.9° |
| C44 | C45 | C46 | C47 | 0.6° | 0.4° |
| C44 | C45 | C46 | O60 | 179.0° | 179.4° |
| C45 | C46 | C47 | O60 | 178.5° | 179.8° |
| C45 | C46 | C47 | C48 | 0.3° | 0.2° |
| C45 | C46 | O60 | C61 | 44.6° | 0.0° |
| C46 | C45 | C44 | H441 | 179.4° | 179.8° |
| C45 | C46 | C47 | H471 | 179.8° | 179.9° |
| C46 | C47 | C48 | H471 | 180.0° | 179.9° |
| C46 | C47 | C48 | N49 | 179.9° | 179.8° |
| C47 | C46 | O60 | C61 | 136.9° | 179.8° |
| C47 | C46 | C45 | H451 | 179.4° | 179.7° |
| O60 | C46 | C47 | C48 | 178.8° | 179.6° |
| O60 | C46 | C45 | H451 | 0.9° | 0.5° |
| O60 | C46 | C47 | H471 | 1.2° | 0.3° |
| C46 | O60 | C61 | H613 | 180.0° | 180.0° |
| C46 | O60 | C61 | H611 | 60.0° | 59.9° |
| C46 | O60 | C61 | H612 | 60.0° | 60.0° |
| C47 | C48 | N49 | C50 | 178.9° | 176.6° |
| C47 | C48 | N49 | H491 | 1.1° | 4.9° |
| C48 | N49 | C50 | C51 | 178.1° | 175.8° |
| C48 | N49 | C50 | H491 | 180.0° | 178.4° |
| N49 | C48 | C47 | H471 | 0.1° | 0.3° |
| C50 | C51 | C56 | O57 | 100.8° | 121.2° |
| C50 | C51 | C56 | O58 | 77.6° | 58.9° |
| C50 | C51 | C34 | H341 | 158.3° | 106.2° |
| C50 | C51 | C34 | H342 | 41.2° | 133.7° |
| C51 | C50 | N49 | H491 | 1.9° | 5.8° |
| N49 | C50 | C51 | C56 | 64.6° | 145.8° |
| C51 | C56 | O57 | O58 | 178.4° | 180.0° |
| C51 | C56 | O58 | C59 | 177.3° | 179.9° |
| C56 | C51 | C34 | H341 | 43.0° | 129.1° |
| C56 | C51 | C34 | H342 | 74.1° | 9.0° |
| N39 | C52 | C35 | H351 | 159.9° | 27.8° |
| C52 | N39 | C38 | H382 | 176.1° | 60.1° |
| C52 | N39 | C38 | H381 | 64.2° | 178.8° |
| C52 | N39 | C40 | H402 | 62.0° | 179.9° |
| C52 | N39 | C40 | H401 | 179.8° | 56.5° |
| N39 | C52 | H522 | H521 | 116.6° | 126.8° |
| C54 | C53 | H531 | H532 | 117.5° | 120.0° |
| C53 | C54 | H542 | H543 | 120.0° | 120.0° |
| C53 | C54 | H542 | H541 | 120.0° | 120.0° |
| C53 | C54 | H543 | H541 | 120.0° | 119.9° |
| O57 | C56 | O58 | C59 | 4.2° | 0.0° |
| C56 | O58 | C59 | H591 | 180.0° | 180.0° |
| C56 | O58 | C59 | H593 | 60.0° | 59.9° |
| C56 | O58 | C59 | H592 | 60.0° | 60.1° |
| O58 | C59 | H591 | H593 | 120.0° | 120.0° |
| O58 | C59 | H591 | H592 | 120.0° | 119.9° |
| O58 | C59 | H593 | H592 | 119.9° | 119.9° |
| O60 | C61 | H613 | H611 | 120.0° | 120.1° |
| O60 | C61 | H613 | H612 | 120.0° | 120.0° |
| O60 | C61 | H611 | H612 | 120.0° | 120.0° |
| C23 | C03 | C02 | H2 | 83.8° | 64.7° |
| C23 | C03 | C04 | H041 | 56.4° | 72.5° |
| C23 | C03 | O27 | H271 | 14.0° | 59.6° |
| C23 | C03 | C02 | C12 | 158.8° | 170.3° |
| H101 | C10 | H102 | C11 | 121.8° | 122.8° |
| H101 | C10 | C11 | H112 | 163.9° | 157.9° |
| H101 | C10 | C11 | H111 | 41.0° | 34.6° |
| H102 | C10 | C11 | H112 | 42.6° | 35.2° |
| H102 | C10 | C11 | H111 | 80.2° | 88.1° |
| H202 | C20 | C21 | H212 | 59.3° | 60.0° |
| H202 | C20 | C21 | H211 | 60.8° | 180.0° |
| H202 | C20 | C21 | H213 | 179.3° | 60.0° |
| H201 | C20 | C21 | H212 | 59.2° | 180.0° |
| H201 | C20 | C21 | H211 | 179.3° | 60.0° |
| H201 | C20 | C21 | H213 | 60.7° | 60.0° |
| H212 | C21 | H211 | H213 | 120.0° | 119.9° |
| H222 | C22 | H223 | H221 | 120.0° | 120.0° |
| H263 | C26 | H262 | H261 | 120.0° | 119.9° |
| H061 | C06 | C07 | H071 | 33.0° | 1.0° |
| H071 | C07 | C08 | H081 | 124.8° | 89.4° |
| H071 | C07 | C08 | H082 | 5.4° | 29.8° |
| H112 | C11 | H111 | C10 | 124.0° | 123.3° |
| H112 | C11 | C12 | C02 | 154.1° | 31.1° |
| H111 | C11 | C12 | C02 | 31.2° | 92.2° |
| H191 | C19 | C12 | C02 | 150.9° | 131.0° |
| H302 | C30 | H303 | H301 | 120.0° | 119.9° |
| H332 | C33 | H331 | H333 | 120.0° | 120.0° |
| H341 | C34 | C35 | H351 | 61.4° | 80.9° |
| H342 | C34 | C35 | H351 | 178.5° | 158.5° |
| H351 | C35 | C36 | H361 | 78.0° | 171.8° |
| H351 | C35 | C36 | H362 | 40.5° | 67.9° |
| H351 | C35 | C52 | H522 | 38.8° | 91.5° |
| H351 | C35 | C52 | H521 | 79.0° | 142.3° |
| H402 | C40 | C41 | H412 | 149.3° | 154.4° |
| H402 | C40 | C41 | H411 | 92.0° | 35.6° |
| H401 | C40 | C41 | H412 | 92.5° | 31.9° |
| H401 | C40 | C41 | H411 | 26.2° | 86.9° |
| H441 | C44 | C45 | H451 | 0.6° | 0.3° |
| H531 | C53 | C54 | H542 | 59.2° | 66.3° |
| H531 | C53 | C54 | H543 | 179.2° | 173.7° |
| H531 | C53 | C54 | H541 | 60.8° | 53.7° |
| H532 | C53 | C54 | H542 | 59.2° | 53.6° |
| H532 | C53 | C54 | H543 | 60.8° | 66.4° |
| H532 | C53 | C54 | H541 | 179.2° | 173.7° |
| H542 | C54 | H543 | H541 | 120.0° | 120.0° |
| H591 | C59 | H593 | H592 | 120.0° | 120.0° |
| H613 | C61 | H611 | H612 | 120.0° | 120.0° |
| C02 | C12 | C11 | C10 | 87.3° | 149.5° |
