A1EPR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C11 | sing | 1.55Å | 1.69Å | |
| C10 | N09 | sing | 1.48Å | 1.50Å | |
| C13 | C12 | sing | 1.50Å | 1.47Å | |
| C13 | C14 | doub | 1.38Å | 1.56Å | Aromatic |
| C13 | C18 | sing | 1.40Å | 1.54Å | Aromatic |
| C15 | C14 | sing | 1.39Å | 1.55Å | Aromatic |
| C15 | C16 | doub | 1.39Å | 1.57Å | Aromatic |
| C15 | C51 | sing | 1.52Å | 1.55Å | |
| C17 | C16 | sing | 1.39Å | 1.56Å | Aromatic |
| C17 | C18 | doub | 1.39Å | 1.54Å | Aromatic |
| C20 | C21 | sing | 1.53Å | 1.55Å | |
| C20 | C05 | sing | 1.53Å | 1.57Å | |
| C22 | N01 | sing | 1.47Å | 1.45Å | |
| C26 | O25 | sing | 1.45Å | 1.43Å | |
| C02 | C03 | sing | 1.51Å | 1.55Å | |
| C02 | N01 | sing | 1.49Å | 1.39Å | |
| C03 | C04 | sing | 1.53Å | 1.40Å | |
| C03 | C23 | sing | 1.51Å | 1.65Å | |
| C03 | O27 | sing | 1.43Å | 1.42Å | |
| C04 | C05 | sing | 1.53Å | 1.44Å | |
| C04 | O28 | sing | 1.45Å | 1.55Å | |
| C05 | C06 | sing | 1.51Å | 1.62Å | |
| C05 | C19 | sing | 1.51Å | 1.42Å | |
| C06 | C07 | doub | 1.30Å | 1.56Å | |
| C07 | C08 | sing | 1.51Å | 1.60Å | |
| C08 | N09 | sing | 1.46Å | 1.44Å | |
| C11 | C12 | sing | 1.55Å | 1.53Å | |
| C12 | C19 | sing | 1.51Å | 1.59Å | |
| C16 | O32 | sing | 1.36Å | 1.43Å | |
| C18 | N01 | sing | 1.39Å | 1.57Å | |
| C19 | N09 | sing | 1.49Å | 1.56Å | |
| C23 | O24 | doub | 1.21Å | 1.20Å | |
| C23 | O25 | sing | 1.34Å | 1.43Å | |
| C29 | C30 | sing | 1.51Å | 1.55Å | |
| C29 | O28 | sing | 1.34Å | 1.40Å | |
| C29 | O31 | doub | 1.21Å | 1.18Å | |
| C33 | O32 | sing | 1.43Å | 1.42Å | |
| C34 | C35 | sing | 1.51Å | 1.57Å | |
| C34 | C51 | sing | 1.57Å | 1.55Å | |
| C35 | C36 | sing | 1.52Å | 1.60Å | |
| C35 | C52 | sing | 1.57Å | 1.52Å | |
| C36 | C37 | sing | 1.54Å | 1.53Å | |
| C37 | C38 | sing | 1.54Å | 1.52Å | |
| C37 | C53 | sing | 1.53Å | 1.56Å | |
| C37 | O55 | sing | 1.43Å | 1.41Å | |
| C38 | N39 | sing | 1.45Å | 1.48Å | |
| C40 | C41 | sing | 1.57Å | 1.54Å | |
| C40 | N39 | sing | 1.46Å | 1.47Å | |
| C41 | C42 | sing | 1.52Å | 1.54Å | |
| C42 | C43 | sing | 1.46Å | 1.39Å | Aromatic |
| C42 | C50 | doub | 1.35Å | 1.45Å | Aromatic |
| C43 | C44 | doub | 1.40Å | 1.57Å | Aromatic |
| C43 | C48 | sing | 1.41Å | 1.40Å | Aromatic |
| C44 | C45 | sing | 1.37Å | 1.50Å | Aromatic |
| C45 | C46 | doub | 1.39Å | 1.48Å | Aromatic |
| C46 | C47 | sing | 1.39Å | 1.51Å | Aromatic |
| C46 | F60 | sing | 1.35Å | 1.35Å | |
| C47 | C48 | doub | 1.39Å | 1.57Å | Aromatic |
| C48 | N49 | sing | 1.36Å | 1.39Å | Aromatic |
| C50 | C51 | sing | 1.51Å | 1.55Å | |
| C50 | N49 | sing | 1.39Å | 1.40Å | Aromatic |
| C51 | C56 | sing | 1.51Å | 1.53Å | |
| C52 | N39 | sing | 1.51Å | 1.46Å | |
| C53 | C54 | sing | 1.53Å | 1.54Å | |
| C56 | O57 | doub | 1.21Å | 1.20Å | |
| C56 | O58 | sing | 1.34Å | 1.44Å | |
| C59 | O58 | sing | 1.45Å | 1.42Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C21 | H213 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C22 | H223 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C26 | H263 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C02 | H1 | 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 | |
| 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 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C30 | H303 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C33 | H333 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | 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 | H401 | sing | 1.09Å | 1.10Å | |
| C40 | H402 | sing | 1.09Å | 1.10Å | |
| C41 | H411 | sing | 1.08Å | 1.10Å | |
| C41 | H412 | 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 | H543 | sing | 1.09Å | 1.10Å | |
| C54 | H541 | sing | 1.09Å | 1.10Å | |
| C54 | H542 | 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 | |
| N49 | H491 | sing | 0.97Å | 1.00Å | |
| O27 | H271 | sing | 0.97Å | 0.95Å | |
| O55 | H551 | sing | 0.97Å | 0.95Å | |
| C02 | C12 | sing | 1.53Å | 1.71Å | |
| C08 | H2 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C10 | N09 | 105.6° | 104.3° |
| C10 | C11 | C12 | 102.2° | 104.6° |
| C11 | C10 | H102 | 110.4° | 110.5° |
| C11 | C10 | H101 | 110.5° | 110.4° |
| C10 | C11 | H112 | 111.3° | 110.5° |
| C10 | C11 | H111 | 111.3° | 110.4° |
| C10 | N09 | C08 | 113.7° | 113.1° |
| C10 | N09 | C19 | 103.4° | 103.3° |
| N09 | C10 | H102 | 110.4° | 110.5° |
| N09 | C10 | H101 | 110.4° | 110.5° |
| C12 | C13 | C14 | 136.9° | 130.4° |
| C12 | C13 | C18 | 107.5° | 107.5° |
| C13 | C12 | C11 | 94.1° | 110.0° |
| C13 | C12 | C19 | 115.8° | 112.9° |
| C13 | C12 | C02 | 105.9° | 103.9° |
| C14 | C13 | C18 | 115.5° | 122.0° |
| C13 | C14 | C15 | 122.3° | 117.2° |
| C13 | C14 | H141 | 118.8° | 121.4° |
| C13 | C18 | C17 | 124.1° | 120.4° |
| C13 | C18 | N01 | 109.8° | 111.1° |
| C14 | C15 | C16 | 120.2° | 121.4° |
| C14 | C15 | C51 | 120.6° | 119.3° |
| C15 | C14 | H141 | 118.8° | 121.4° |
| C16 | C15 | C51 | 119.1° | 119.3° |
| C15 | C16 | C17 | 118.1° | 121.7° |
| C15 | C16 | O32 | 121.6° | 119.1° |
| C15 | C51 | C34 | 101.4° | 108.0° |
| C15 | C51 | C50 | 110.0° | 108.7° |
| C15 | C51 | C56 | 108.6° | 106.8° |
| C16 | C17 | C18 | 119.7° | 117.3° |
| C17 | C16 | O32 | 120.3° | 119.2° |
| C16 | C17 | H171 | 120.1° | 121.4° |
| C17 | C18 | N01 | 126.1° | 128.5° |
| C18 | C17 | H171 | 120.2° | 121.4° |
| C21 | C20 | C05 | 115.4° | 109.5° |
| C21 | C20 | H201 | 108.0° | 109.5° |
| C21 | C20 | H202 | 108.0° | 109.5° |
| C20 | C21 | H213 | 109.5° | 109.5° |
| C20 | C21 | H212 | 109.5° | 109.5° |
| C20 | C21 | H211 | 109.4° | 109.5° |
| C20 | C05 | C04 | 107.4° | 109.1° |
| C20 | C05 | C06 | 104.8° | 109.0° |
| C20 | C05 | C19 | 107.3° | 108.6° |
| C05 | C20 | H201 | 108.0° | 109.5° |
| C05 | C20 | H202 | 107.9° | 109.4° |
| C22 | N01 | C02 | 123.2° | 111.0° |
| C22 | N01 | C18 | 117.2° | 111.0° |
| N01 | C22 | H223 | 109.5° | 109.5° |
| N01 | C22 | H221 | 109.5° | 109.5° |
| N01 | C22 | H222 | 109.4° | 109.5° |
| C26 | O25 | C23 | 115.1° | 117.0° |
| O25 | C26 | H262 | 109.5° | 109.4° |
| O25 | C26 | H263 | 109.4° | 109.5° |
| O25 | C26 | H261 | 109.4° | 109.5° |
| C03 | C02 | N01 | 112.3° | 109.2° |
| C02 | C03 | C04 | 107.5° | 111.4° |
| C02 | C03 | C23 | 106.0° | 109.1° |
| C02 | C03 | O27 | 110.9° | 109.1° |
| C03 | C02 | H1 | 109.1° | 109.8° |
| C03 | C02 | C12 | 108.4° | 114.6° |
| C02 | N01 | C18 | 108.5° | 107.7° |
| N01 | C02 | H1 | 111.4° | 109.8° |
| N01 | C02 | C12 | 108.1° | 103.0° |
| C04 | C03 | C23 | 116.0° | 109.1° |
| C04 | C03 | O27 | 109.3° | 109.1° |
| C03 | C04 | C05 | 117.5° | 108.4° |
| C03 | C04 | O28 | 105.2° | 109.7° |
| C03 | C04 | H041 | 109.4° | 109.7° |
| C23 | C03 | O27 | 107.0° | 109.1° |
| C03 | C23 | O24 | 123.6° | 120.1° |
| C03 | C23 | O25 | 118.3° | 120.0° |
| C03 | O27 | H271 | 109.5° | 114.0° |
| C05 | C04 | O28 | 107.8° | 109.7° |
| C04 | C05 | C06 | 109.0° | 109.9° |
| C04 | C05 | C19 | 114.9° | 110.5° |
| C05 | C04 | H041 | 108.9° | 109.7° |
| C04 | O28 | C29 | 117.1° | 117.0° |
| O28 | C04 | H041 | 107.5° | 109.7° |
| C06 | C05 | C19 | 112.9° | 109.8° |
| C05 | C06 | C07 | 114.7° | 123.0° |
| C05 | C06 | H061 | 122.7° | 118.5° |
| C05 | C19 | C12 | 114.4° | 117.7° |
| C05 | C19 | N09 | 118.4° | 109.7° |
| C05 | C19 | H191 | 108.8° | 108.3° |
| C06 | C07 | C08 | 118.4° | 123.3° |
| C07 | C06 | H061 | 122.7° | 118.5° |
| C06 | C07 | H071 | 120.8° | 118.3° |
| C07 | C08 | N09 | 112.0° | 108.9° |
| C08 | C07 | H071 | 120.8° | 118.3° |
| C07 | C08 | H081 | 108.8° | 109.5° |
| C07 | C08 | H2 | 108.9° | 109.6° |
| C08 | N09 | C19 | 111.3° | 109.0° |
| N09 | C08 | H081 | 108.9° | 108.8° |
| N09 | C08 | H2 | 108.8° | 110.4° |
| C11 | C12 | C19 | 101.3° | 104.7° |
| C12 | C11 | H112 | 111.2° | 110.4° |
| C12 | C11 | H111 | 111.3° | 110.4° |
| C11 | C12 | C02 | 126.2° | 108.7° |
| C12 | C19 | N09 | 100.5° | 105.1° |
| C12 | C19 | H191 | 106.7° | 108.3° |
| C19 | C12 | C02 | 112.7° | 116.5° |
| C16 | O32 | C33 | 113.9° | 117.0° |
| N09 | C19 | H191 | 107.2° | 107.4° |
| O24 | C23 | O25 | 118.1° | 120.0° |
| C30 | C29 | O28 | 123.0° | 120.0° |
| C30 | C29 | O31 | 121.4° | 120.0° |
| C29 | C30 | H301 | 109.5° | 109.5° |
| C29 | C30 | H302 | 109.5° | 109.5° |
| C29 | C30 | H303 | 109.5° | 109.4° |
| O28 | C29 | O31 | 115.5° | 120.0° |
| O32 | C33 | H332 | 109.5° | 109.5° |
| O32 | C33 | H333 | 109.5° | 109.4° |
| O32 | C33 | H331 | 109.5° | 109.5° |
| C35 | C34 | C51 | 118.7° | 105.5° |
| C34 | C35 | C36 | 107.6° | 120.8° |
| C34 | C35 | C52 | 113.6° | 104.7° |
| C35 | C34 | H341 | 107.1° | 111.0° |
| C35 | C34 | H342 | 107.1° | 110.8° |
| C34 | C35 | H351 | 107.3° | 111.7° |
| C34 | C51 | C50 | 123.5° | 110.1° |
| C34 | C51 | C56 | 110.7° | 111.2° |
| C51 | C34 | H341 | 107.1° | 110.6° |
| C51 | C34 | H342 | 107.1° | 110.4° |
| C36 | C35 | C52 | 113.2° | 101.5° |
| C35 | C36 | C37 | 113.0° | 108.5° |
| C36 | C35 | H351 | 107.0° | 107.5° |
| C35 | C36 | H361 | 108.6° | 109.4° |
| C35 | C36 | H362 | 108.6° | 109.3° |
| C35 | C52 | N39 | 113.4° | 94.7° |
| C52 | C35 | H351 | 107.9° | 109.9° |
| C35 | C52 | H522 | 108.5° | 113.9° |
| C35 | C52 | H521 | 108.5° | 110.7° |
| C36 | C37 | C38 | 106.6° | 115.0° |
| C36 | C37 | C53 | 114.7° | 108.9° |
| C36 | C37 | O55 | 108.9° | 108.1° |
| C37 | C36 | H361 | 108.6° | 109.9° |
| C37 | C36 | H362 | 108.6° | 109.9° |
| C38 | C37 | C53 | 104.7° | 108.7° |
| C38 | C37 | O55 | 110.9° | 108.1° |
| C37 | C38 | N39 | 110.8° | 111.5° |
| C37 | C38 | H382 | 109.1° | 109.0° |
| C37 | C38 | H381 | 109.1° | 109.0° |
| C53 | C37 | O55 | 111.0° | 107.8° |
| C37 | C53 | C54 | 113.9° | 109.4° |
| C37 | C53 | H531 | 108.4° | 109.4° |
| C37 | C53 | H532 | 108.4° | 109.5° |
| C37 | O55 | H551 | 109.5° | 114.0° |
| C38 | N39 | C40 | 132.6° | 123.3° |
| C38 | N39 | C52 | 109.9° | 104.9° |
| N39 | C38 | H382 | 109.1° | 109.4° |
| N39 | C38 | H381 | 109.1° | 109.3° |
| C41 | C40 | N39 | 114.3° | 102.5° |
| C40 | C41 | C42 | 113.4° | 107.9° |
| C41 | C40 | H401 | 108.3° | 110.6° |
| C41 | C40 | H402 | 108.2° | 110.5° |
| C40 | C41 | H411 | 108.5° | 110.7° |
| C40 | C41 | H412 | 108.5° | 108.4° |
| C40 | N39 | C52 | 115.7° | 104.8° |
| N39 | C40 | H401 | 108.2° | 111.3° |
| N39 | C40 | H402 | 108.3° | 111.3° |
| C41 | C42 | C43 | 132.2° | 121.3° |
| C41 | C42 | C50 | 122.7° | 131.6° |
| C42 | C41 | H411 | 108.5° | 112.7° |
| C42 | C41 | H412 | 108.5° | 108.4° |
| C43 | C42 | C50 | 105.2° | 107.2° |
| C42 | C43 | C44 | 129.0° | 131.7° |
| C42 | C43 | C48 | 110.8° | 106.6° |
| C42 | C50 | C51 | 127.7° | 131.9° |
| C42 | C50 | N49 | 107.8° | 108.4° |
| C44 | C43 | C48 | 120.2° | 121.7° |
| C43 | C44 | C45 | 119.9° | 116.6° |
| C43 | C44 | H441 | 120.0° | 121.8° |
| C43 | C48 | C47 | 121.0° | 120.6° |
| C43 | C48 | N49 | 107.1° | 106.7° |
| C44 | C45 | C46 | 119.6° | 122.0° |
| C45 | C44 | H441 | 120.1° | 121.6° |
| C44 | C45 | H451 | 120.2° | 119.0° |
| C45 | C46 | C47 | 120.8° | 122.2° |
| C45 | C46 | F60 | 119.2° | 118.8° |
| C46 | C45 | H451 | 120.2° | 119.0° |
| C47 | C46 | F60 | 120.0° | 118.9° |
| C46 | C47 | C48 | 118.6° | 116.8° |
| C46 | C47 | H471 | 120.7° | 121.6° |
| C47 | C48 | N49 | 131.9° | 132.6° |
| C48 | C47 | H471 | 120.7° | 121.7° |
| C48 | N49 | C50 | 109.1° | 110.9° |
| C48 | N49 | H491 | 125.4° | 123.5° |
| C51 | C50 | N49 | 124.5° | 119.7° |
| C50 | C51 | C56 | 102.2° | 112.0° |
| C50 | N49 | H491 | 125.4° | 125.6° |
| C51 | C56 | O57 | 121.1° | 120.0° |
| C51 | C56 | O58 | 114.6° | 120.0° |
| N39 | C52 | H522 | 108.5° | 114.3° |
| N39 | C52 | H521 | 108.5° | 110.9° |
| C54 | C53 | H531 | 108.4° | 109.5° |
| C54 | C53 | H532 | 108.4° | 109.5° |
| C53 | C54 | H543 | 109.5° | 109.5° |
| C53 | C54 | H541 | 109.5° | 109.5° |
| C53 | C54 | H542 | 109.4° | 109.4° |
| O57 | C56 | O58 | 124.4° | 120.0° |
| C56 | O58 | C59 | 116.6° | 117.0° |
| O58 | C59 | H591 | 109.5° | 109.4° |
| O58 | C59 | H593 | 109.5° | 109.4° |
| O58 | C59 | H592 | 109.5° | 109.5° |
| H102 | C10 | H101 | 109.4° | 110.5° |
| H201 | C20 | H202 | 109.5° | 109.4° |
| H213 | C21 | H212 | 109.4° | 109.4° |
| H213 | C21 | H211 | 109.5° | 109.5° |
| H212 | C21 | H211 | 109.5° | 109.5° |
| H223 | C22 | H221 | 109.5° | 109.4° |
| H223 | C22 | H222 | 109.5° | 109.5° |
| H221 | C22 | H222 | 109.5° | 109.5° |
| H262 | C26 | H263 | 109.5° | 109.5° |
| H262 | C26 | H261 | 109.5° | 109.4° |
| H263 | C26 | H261 | 109.5° | 109.5° |
| H1 | C02 | C12 | 107.3° | 110.1° |
| H081 | C08 | H2 | 109.5° | 109.6° |
| H112 | C11 | H111 | 109.5° | 110.4° |
| H301 | C30 | H302 | 109.5° | 109.5° |
| H301 | C30 | H303 | 109.5° | 109.5° |
| H302 | C30 | H303 | 109.5° | 109.5° |
| H332 | C33 | H333 | 109.5° | 109.5° |
| H332 | C33 | H331 | 109.5° | 109.5° |
| H333 | C33 | H331 | 109.5° | 109.5° |
| H341 | C34 | H342 | 109.5° | 108.5° |
| H361 | C36 | H362 | 109.5° | 109.8° |
| H382 | C38 | H381 | 109.4° | 108.5° |
| H401 | C40 | H402 | 109.5° | 110.5° |
| H411 | C41 | H412 | 109.5° | 108.5° |
| H522 | C52 | H521 | 109.5° | 111.3° |
| H531 | C53 | H532 | 109.5° | 109.4° |
| H543 | C54 | H541 | 109.5° | 109.5° |
| H543 | C54 | H542 | 109.5° | 109.5° |
| H541 | C54 | H542 | 109.5° | 109.5° |
| H591 | C59 | H593 | 109.4° | 109.5° |
| H591 | C59 | H592 | 109.5° | 109.5° |
| H593 | C59 | H592 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C10 | N09 | H102 | 119.4° | 118.7° |
| C11 | C10 | N09 | H101 | 119.4° | 118.7° |
| C10 | C11 | C12 | C13 | 151.9° | 124.5° |
| C11 | C10 | N09 | C08 | 146.0° | 157.5° |
| C10 | C11 | C12 | H112 | 118.8° | 118.8° |
| C10 | C11 | C12 | H111 | 118.8° | 118.8° |
| C10 | C11 | C12 | C19 | 34.6° | 2.8° |
| C11 | C10 | N09 | C19 | 25.2° | 39.8° |
| C11 | C10 | H102 | H101 | 121.8° | 122.5° |
| C10 | C11 | H112 | H111 | 123.4° | 122.4° |
| C10 | C11 | C12 | C02 | 94.9° | 122.3° |
| C10 | N09 | C19 | C05 | 172.4° | 169.6° |
| C10 | N09 | C08 | C07 | 163.7° | 168.8° |
| C10 | N09 | C08 | C19 | 116.3° | 114.3° |
| N09 | C10 | C11 | C12 | 6.5° | 22.6° |
| C10 | N09 | C19 | C12 | 47.1° | 42.3° |
| N09 | C10 | H102 | H101 | 121.8° | 122.6° |
| C10 | N09 | C08 | H081 | 76.0° | 71.9° |
| N09 | C10 | C11 | H112 | 125.3° | 96.2° |
| N09 | C10 | C11 | H111 | 112.3° | 141.3° |
| C10 | N09 | C19 | H191 | 64.2° | 72.9° |
| C10 | N09 | C08 | H2 | 43.3° | 48.4° |
| C12 | C13 | C14 | C18 | 179.4° | 179.9° |
| C12 | C13 | C14 | C15 | 179.5° | 179.8° |
| C12 | C13 | C18 | C17 | 179.2° | 179.7° |
| C13 | C12 | C02 | C03 | 118.2° | 94.3° |
| C13 | C12 | C02 | N01 | 3.8° | 24.2° |
| C13 | C12 | C19 | C05 | 80.4° | 90.7° |
| C13 | C12 | C11 | C19 | 117.4° | 121.6° |
| C13 | C12 | C11 | C02 | 113.2° | 113.2° |
| C13 | C12 | C19 | C02 | 122.2° | 120.2° |
| C12 | C13 | C18 | N01 | 0.0° | 0.7° |
| C13 | C12 | C19 | N09 | 151.7° | 146.9° |
| C13 | C12 | C02 | H1 | 124.1° | 141.3° |
| C13 | C12 | C11 | H112 | 89.3° | 116.7° |
| C13 | C12 | C11 | H111 | 33.1° | 5.7° |
| C12 | C13 | C14 | H141 | 0.5° | 0.2° |
| C13 | C12 | C19 | H191 | 40.0° | 32.4° |
| C13 | C14 | C15 | H141 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.4° | 0.1° |
| C13 | C14 | C15 | C51 | 176.6° | 179.9° |
| C14 | C13 | C18 | C17 | 1.2° | 0.2° |
| C14 | C13 | C12 | C11 | 53.1° | 79.0° |
| C14 | C13 | C12 | C19 | 51.6° | 37.6° |
| C14 | C13 | C18 | N01 | 179.6° | 179.3° |
| C14 | C13 | C12 | C02 | 177.4° | 164.7° |
| C18 | C13 | C14 | C15 | 1.1° | 0.1° |
| C13 | C18 | C17 | C16 | 0.6° | 0.2° |
| C13 | C18 | C17 | N01 | 179.1° | 179.5° |
| C13 | C18 | N01 | C22 | 142.5° | 104.6° |
| C13 | C18 | N01 | C02 | 2.6° | 17.1° |
| C18 | C13 | C12 | C11 | 127.4° | 101.1° |
| C18 | C13 | C12 | C19 | 127.9° | 142.3° |
| C13 | C18 | C17 | H171 | 179.4° | 179.9° |
| C18 | C13 | C14 | H141 | 178.9° | 179.9° |
| C18 | C13 | C12 | C02 | 2.1° | 15.2° |
| C14 | C15 | C16 | C51 | 177.1° | 180.0° |
| C14 | C15 | C16 | C17 | 0.2° | 0.1° |
| C14 | C15 | C16 | O32 | 179.7° | 179.9° |
| C14 | C15 | C51 | C34 | 97.2° | 8.1° |
| C14 | C15 | C51 | C50 | 35.1° | 127.5° |
| C14 | C15 | C51 | C56 | 146.1° | 111.6° |
| C15 | C16 | C17 | O32 | 179.4° | 179.9° |
| C15 | C16 | C17 | C18 | 0.2° | 0.0° |
| C15 | C16 | O32 | C33 | 172.0° | 180.0° |
| C16 | C15 | C51 | C34 | 79.8° | 171.9° |
| C16 | C15 | C51 | C50 | 147.9° | 52.5° |
| C16 | C15 | C51 | C56 | 36.8° | 68.4° |
| C15 | C16 | C17 | H171 | 179.8° | 180.0° |
| C16 | C15 | C14 | H141 | 179.6° | 180.0° |
| C51 | C15 | C16 | C17 | 177.3° | 179.9° |
| C51 | C15 | C16 | O32 | 3.3° | 0.1° |
| C15 | C51 | C34 | C35 | 48.1° | 132.5° |
| C15 | C51 | C34 | C50 | 123.5° | 118.5° |
| C15 | C51 | C34 | C56 | 115.1° | 116.8° |
| C15 | C51 | C50 | C42 | 136.3° | 152.3° |
| C15 | C51 | C50 | C56 | 115.2° | 117.7° |
| C15 | C51 | C50 | N49 | 46.6° | 28.3° |
| C15 | C51 | C56 | O57 | 143.4° | 119.9° |
| C15 | C51 | C56 | O58 | 36.0° | 60.0° |
| C51 | C15 | C14 | H141 | 3.4° | 0.1° |
| C15 | C51 | C34 | H341 | 73.2° | 12.4° |
| C15 | C51 | C34 | H342 | 169.4° | 107.7° |
| C16 | C17 | C18 | H171 | 180.0° | 180.0° |
| C16 | C17 | C18 | N01 | 179.6° | 179.3° |
| C17 | C16 | O32 | C33 | 7.4° | 0.0° |
| C17 | C18 | N01 | C22 | 36.7° | 74.9° |
| C17 | C18 | N01 | C02 | 178.2° | 163.4° |
| C18 | C17 | C16 | O32 | 179.6° | 180.0° |
| C21 | C20 | C05 | H201 | 120.9° | 120.0° |
| C21 | C20 | C05 | H202 | 120.9° | 120.0° |
| C21 | C20 | C05 | C04 | 175.2° | 159.4° |
| C21 | C20 | C05 | C06 | 59.5° | 39.4° |
| C21 | C20 | C05 | C19 | 60.7° | 80.2° |
| C21 | C20 | H201 | H202 | 117.3° | 120.0° |
| C20 | C21 | H213 | H212 | 120.0° | 120.0° |
| C20 | C21 | H213 | H211 | 120.0° | 120.0° |
| C20 | C21 | H212 | H211 | 120.0° | 120.0° |
| C20 | C05 | C04 | C03 | 159.8° | 58.6° |
| C20 | C05 | C04 | C06 | 113.0° | 119.4° |
| C20 | C05 | C04 | C19 | 119.3° | 119.2° |
| C20 | C05 | C04 | O28 | 81.8° | 178.3° |
| C20 | C05 | C06 | C19 | 116.4° | 118.8° |
| C20 | C05 | C06 | C07 | 99.0° | 132.1° |
| C20 | C05 | C19 | C12 | 99.2° | 74.9° |
| C20 | C05 | C19 | N09 | 142.7° | 165.1° |
| C05 | C20 | H201 | H202 | 117.3° | 119.9° |
| C05 | C20 | C21 | H213 | 180.0° | 60.0° |
| C05 | C20 | C21 | H212 | 60.0° | 60.0° |
| C05 | C20 | C21 | H211 | 60.0° | 180.0° |
| C20 | C05 | C04 | H041 | 34.6° | 61.1° |
| C20 | C05 | C06 | H061 | 81.0° | 48.0° |
| C20 | C05 | C19 | H191 | 20.1° | 48.2° |
| C22 | N01 | C02 | C03 | 101.7° | 141.7° |
| C22 | N01 | C02 | C18 | 142.6° | 121.7° |
| N01 | C22 | H223 | H221 | 120.0° | 120.0° |
| N01 | C22 | H223 | H222 | 120.0° | 120.0° |
| N01 | C22 | H221 | H222 | 120.0° | 120.0° |
| C22 | N01 | C02 | H1 | 21.1° | 21.2° |
| C22 | N01 | C02 | C12 | 138.8° | 96.1° |
| C26 | O25 | C23 | C03 | 88.7° | 180.0° |
| C26 | O25 | C23 | O24 | 90.4° | 0.0° |
| O25 | C26 | H262 | H263 | 120.0° | 120.0° |
| O25 | C26 | H262 | H261 | 120.0° | 120.0° |
| O25 | C26 | H263 | H261 | 120.0° | 120.0° |
| C03 | C02 | N01 | H1 | 122.8° | 120.5° |
| C03 | C02 | N01 | C12 | 119.5° | 122.2° |
| C02 | C03 | C04 | C23 | 118.4° | 120.4° |
| C02 | C03 | C04 | O27 | 120.5° | 120.5° |
| C02 | C03 | C23 | O27 | 118.5° | 119.1° |
| C02 | C03 | C04 | C05 | 74.4° | 63.6° |
| C02 | C03 | C04 | O28 | 165.8° | 56.2° |
| C03 | C02 | C12 | C11 | 134.3° | 148.6° |
| C03 | C02 | C12 | C19 | 9.5° | 30.6° |
| C03 | C02 | N01 | C18 | 115.8° | 96.6° |
| C02 | C03 | C23 | O24 | 86.7° | 3.6° |
| C02 | C03 | C23 | O25 | 92.4° | 176.5° |
| C03 | C02 | H1 | C12 | 117.2° | 127.2° |
| C02 | C03 | C04 | H041 | 50.5° | 176.7° |
| C02 | C03 | O27 | H271 | 180.0° | 180.0° |
| N01 | C02 | C03 | C04 | 77.8° | 163.1° |
| N01 | C02 | C03 | C23 | 46.9° | 42.7° |
| N01 | C02 | C03 | O27 | 162.7° | 76.3° |
| N01 | C02 | C12 | C11 | 103.7° | 92.9° |
| N01 | C02 | C12 | C19 | 131.5° | 149.1° |
| C02 | N01 | C22 | H223 | 180.0° | 60.0° |
| C02 | N01 | C22 | H221 | 60.0° | 179.9° |
| C02 | N01 | C22 | H222 | 60.0° | 60.0° |
| N01 | C02 | H1 | C12 | 118.2° | 112.7° |
| C04 | C03 | C23 | O27 | 122.3° | 119.1° |
| C03 | C04 | C05 | O28 | 118.5° | 119.7° |
| C03 | C04 | C05 | H041 | 125.1° | 119.7° |
| C03 | C04 | O28 | H041 | 116.6° | 120.5° |
| C03 | C04 | C05 | C06 | 87.3° | 178.0° |
| C03 | C04 | C05 | C19 | 40.5° | 60.6° |
| C04 | C03 | C23 | O24 | 32.5° | 125.4° |
| C04 | C03 | C23 | O25 | 148.4° | 54.6° |
| C03 | C04 | O28 | C29 | 128.9° | 90.0° |
| C04 | C03 | C02 | H1 | 158.1° | 76.4° |
| C04 | C03 | O27 | H271 | 61.6° | 58.1° |
| C04 | C03 | C02 | C12 | 41.6° | 48.2° |
| C23 | C03 | C04 | C05 | 167.3° | 56.9° |
| C23 | C03 | C04 | O28 | 47.4° | 176.6° |
| C03 | C23 | O24 | O25 | 179.1° | 180.0° |
| C23 | C03 | C02 | H1 | 77.2° | 163.2° |
| C23 | C03 | C04 | H041 | 67.8° | 62.9° |
| C23 | C03 | O27 | H271 | 64.8° | 61.0° |
| C23 | C03 | C02 | C12 | 166.3° | 72.2° |
| O27 | C03 | C04 | C05 | 46.2° | 175.9° |
| O27 | C03 | C04 | O28 | 73.7° | 64.4° |
| O27 | C03 | C23 | O24 | 154.9° | 115.5° |
| O27 | C03 | C23 | O25 | 26.1° | 64.5° |
| O27 | C03 | C02 | H1 | 38.6° | 44.1° |
| O27 | C03 | C04 | H041 | 171.1° | 56.2° |
| O27 | C03 | C02 | C12 | 77.9° | 168.8° |
| C05 | C04 | O28 | H041 | 117.3° | 120.5° |
| C04 | C05 | C06 | C19 | 128.9° | 121.7° |
| C04 | C05 | C06 | C07 | 146.3° | 108.5° |
| C04 | C05 | C19 | C12 | 20.1° | 44.6° |
| C04 | C05 | C19 | N09 | 98.0° | 75.3° |
| C05 | C04 | O28 | C29 | 104.9° | 151.1° |
| C04 | C05 | C20 | H201 | 63.9° | 80.6° |
| C04 | C05 | C20 | H202 | 54.4° | 39.4° |
| C04 | C05 | C06 | H061 | 33.7° | 71.5° |
| C04 | C05 | C19 | H191 | 139.4° | 167.8° |
| O28 | C04 | C05 | C06 | 31.2° | 62.2° |
| O28 | C04 | C05 | C19 | 159.0° | 59.1° |
| C04 | O28 | C29 | C30 | 16.6° | 180.0° |
| C04 | O28 | C29 | O31 | 164.8° | 0.0° |
| C05 | C06 | C07 | H061 | 180.0° | 180.0° |
| C05 | C06 | C07 | C08 | 30.4° | 1.0° |
| C06 | C05 | C19 | C12 | 145.9° | 166.0° |
| C06 | C05 | C19 | N09 | 27.8° | 46.0° |
| C06 | C05 | C20 | H201 | 179.7° | 159.5° |
| C06 | C05 | C20 | H202 | 61.4° | 80.6° |
| C06 | C05 | C04 | H041 | 147.6° | 58.3° |
| C05 | C06 | C07 | H071 | 149.5° | 179.8° |
| C06 | C05 | C19 | H191 | 94.8° | 70.9° |
| C19 | C05 | C06 | C07 | 17.3° | 13.3° |
| C05 | C19 | N09 | C08 | 65.2° | 69.8° |
| C05 | C19 | C12 | C11 | 179.3° | 149.6° |
| C05 | C19 | C12 | N09 | 127.9° | 122.3° |
| C05 | C19 | C12 | H191 | 120.4° | 123.2° |
| C05 | C19 | N09 | H191 | 123.4° | 117.5° |
| C19 | C05 | C20 | H201 | 60.2° | 39.9° |
| C19 | C05 | C20 | H202 | 178.4° | 159.8° |
| C19 | C05 | C04 | H041 | 84.6° | 179.6° |
| C19 | C05 | C06 | H061 | 162.7° | 166.8° |
| C05 | C19 | C12 | C02 | 41.8° | 29.4° |
| C06 | C07 | C08 | H071 | 180.0° | 178.8° |
| C06 | C07 | C08 | N09 | 3.5° | 21.7° |
| C06 | C07 | C08 | H081 | 123.9° | 140.6° |
| C06 | C07 | C08 | H2 | 116.9° | 99.2° |
| C07 | C08 | N09 | H081 | 120.4° | 119.3° |
| C07 | C08 | N09 | H2 | 120.4° | 120.4° |
| C07 | C08 | N09 | C19 | 47.4° | 54.5° |
| C08 | C07 | C06 | H061 | 149.6° | 179.1° |
| C07 | C08 | H081 | H2 | 118.9° | 120.3° |
| C08 | N09 | C19 | C12 | 169.6° | 162.8° |
| C08 | N09 | C10 | H102 | 26.6° | 38.8° |
| C08 | N09 | C10 | H101 | 94.6° | 83.8° |
| N09 | C08 | C07 | H071 | 176.5° | 159.5° |
| N09 | C08 | H081 | H2 | 118.9° | 120.8° |
| C08 | N09 | C19 | H191 | 58.3° | 47.7° |
| C11 | C12 | C19 | C02 | 137.5° | 120.2° |
| C11 | C12 | C19 | N09 | 51.4° | 27.2° |
| C12 | C11 | C10 | H102 | 125.9° | 96.2° |
| C12 | C11 | C10 | H101 | 112.9° | 141.3° |
| C11 | C12 | C02 | H1 | 16.6° | 24.1° |
| C12 | C11 | H112 | H111 | 123.4° | 122.3° |
| C11 | C12 | C19 | H191 | 60.2° | 87.3° |
| C12 | C19 | N09 | H191 | 111.3° | 115.1° |
| C19 | C12 | C02 | H1 | 108.2° | 93.8° |
| C19 | C12 | C11 | H112 | 153.3° | 121.7° |
| C19 | C12 | C11 | H111 | 84.3° | 116.0° |
| O32 | C16 | C17 | H171 | 0.4° | 0.0° |
| C16 | O32 | C33 | H332 | 180.0° | 180.0° |
| C16 | O32 | C33 | H333 | 60.0° | 60.0° |
| C16 | O32 | C33 | H331 | 60.0° | 60.0° |
| N01 | C18 | C17 | H171 | 0.4° | 0.7° |
| C18 | N01 | C22 | H223 | 40.4° | 59.7° |
| C18 | N01 | C22 | H221 | 160.4° | 60.2° |
| C18 | N01 | C22 | H222 | 79.6° | 179.7° |
| C18 | N01 | C02 | H1 | 121.5° | 142.9° |
| C18 | N01 | C02 | C12 | 3.8° | 25.6° |
| C19 | N09 | C10 | H102 | 94.2° | 79.0° |
| C19 | N09 | C10 | H101 | 144.6° | 158.4° |
| C19 | N09 | C08 | H081 | 167.8° | 173.8° |
| N09 | C19 | C12 | C02 | 86.0° | 92.9° |
| C19 | N09 | C08 | H2 | 73.0° | 65.9° |
| C23 | O25 | C26 | H262 | 180.0° | 60.0° |
| C23 | O25 | C26 | H263 | 60.0° | 180.0° |
| C23 | O25 | C26 | H261 | 60.0° | 60.0° |
| C30 | C29 | O28 | O31 | 178.6° | 180.0° |
| C29 | C30 | H301 | H302 | 120.0° | 120.0° |
| C29 | C30 | H301 | H303 | 120.0° | 119.9° |
| C29 | C30 | H302 | H303 | 120.0° | 120.0° |
| C29 | O28 | C04 | H041 | 12.3° | 30.5° |
| O28 | C29 | C30 | H301 | 178.6° | 60.0° |
| O28 | C29 | C30 | H302 | 58.5° | 180.0° |
| O28 | C29 | C30 | H303 | 61.4° | 60.0° |
| O31 | C29 | C30 | H301 | 0.0° | 120.0° |
| O31 | C29 | C30 | H302 | 120.0° | 0.0° |
| O31 | C29 | C30 | H303 | 120.0° | 120.0° |
| O32 | C33 | H332 | H333 | 120.0° | 120.0° |
| O32 | C33 | H332 | H331 | 120.0° | 120.0° |
| O32 | C33 | H333 | H331 | 120.0° | 120.0° |
| C35 | C34 | C51 | H341 | 121.3° | 120.0° |
| C35 | C34 | C51 | H342 | 121.3° | 119.8° |
| C34 | C35 | C36 | C52 | 126.3° | 115.0° |
| C34 | C35 | C36 | H351 | 115.0° | 129.7° |
| C34 | C35 | C52 | H351 | 118.8° | 120.0° |
| C34 | C35 | C36 | C37 | 84.7° | 178.3° |
| C35 | C34 | C51 | C50 | 75.4° | 14.0° |
| C35 | C34 | C51 | C56 | 163.2° | 110.7° |
| C34 | C35 | C52 | N39 | 79.9° | 147.8° |
| C35 | C34 | H341 | H342 | 115.8° | 122.0° |
| C34 | C35 | C36 | H361 | 35.9° | 58.5° |
| C34 | C35 | C36 | H362 | 154.8° | 61.8° |
| C34 | C35 | C52 | H522 | 159.5° | 28.6° |
| C34 | C35 | C52 | H521 | 40.7° | 97.7° |
| C51 | C34 | C35 | C36 | 176.0° | 166.9° |
| C51 | C34 | C35 | C52 | 57.9° | 79.8° |
| C34 | C51 | C50 | C42 | 16.7° | 89.7° |
| C34 | C51 | C50 | C56 | 125.2° | 124.3° |
| C34 | C51 | C50 | N49 | 166.2° | 89.7° |
| C34 | C51 | C56 | O57 | 32.8° | 2.4° |
| C34 | C51 | C56 | O58 | 146.5° | 177.6° |
| C51 | C34 | H341 | H342 | 115.8° | 121.3° |
| C51 | C34 | C35 | H351 | 61.2° | 39.1° |
| C36 | C35 | C52 | H351 | 118.1° | 113.5° |
| C35 | C36 | C37 | H361 | 120.5° | 119.5° |
| C35 | C36 | C37 | H362 | 120.5° | 119.5° |
| C35 | C36 | C37 | C38 | 50.8° | 38.5° |
| C35 | C36 | C37 | C53 | 166.1° | 83.7° |
| C35 | C36 | C37 | O55 | 68.9° | 159.4° |
| C36 | C35 | C52 | N39 | 43.1° | 85.7° |
| C36 | C35 | C34 | H341 | 54.7° | 47.1° |
| C36 | C35 | C34 | H342 | 62.7° | 73.6° |
| C35 | C36 | H361 | H362 | 118.4° | 120.0° |
| C36 | C35 | C52 | H522 | 77.5° | 155.0° |
| C36 | C35 | C52 | H521 | 163.7° | 28.7° |
| C52 | C35 | C36 | C37 | 41.6° | 63.4° |
| C35 | C52 | N39 | C38 | 55.9° | 84.5° |
| C35 | C52 | N39 | C40 | 111.0° | 144.3° |
| C35 | C52 | N39 | H522 | 120.6° | 118.9° |
| C35 | C52 | N39 | H521 | 120.6° | 114.3° |
| C52 | C35 | C34 | H341 | 179.2° | 160.4° |
| C52 | C35 | C34 | H342 | 63.3° | 39.7° |
| C52 | C35 | C36 | H361 | 162.2° | 56.5° |
| C52 | C35 | C36 | H362 | 78.9° | 176.7° |
| C35 | C52 | H522 | H521 | 118.2° | 126.0° |
| C36 | C37 | C38 | C53 | 121.9° | 122.4° |
| C36 | C37 | C38 | O55 | 118.4° | 120.8° |
| C36 | C37 | C53 | O55 | 123.9° | 117.0° |
| C36 | C37 | C38 | N39 | 64.9° | 36.3° |
| C36 | C37 | C53 | C54 | 44.8° | 62.4° |
| C37 | C36 | C35 | H351 | 160.3° | 52.0° |
| C37 | C36 | H361 | H362 | 118.4° | 121.0° |
| C36 | C37 | C38 | H382 | 174.9° | 84.6° |
| C36 | C37 | C38 | H381 | 55.3° | 157.1° |
| C36 | C37 | C53 | H531 | 75.9° | 57.6° |
| C36 | C37 | C53 | H532 | 165.4° | 177.5° |
| C36 | C37 | O55 | H551 | 180.0° | 180.0° |
| C38 | C37 | C53 | O55 | 119.7° | 117.0° |
| C37 | C38 | N39 | H382 | 120.2° | 120.6° |
| C37 | C38 | N39 | H381 | 120.2° | 120.6° |
| C37 | C38 | N39 | C40 | 95.2° | 180.0° |
| C37 | C38 | N39 | C52 | 68.6° | 60.5° |
| C38 | C37 | C53 | C54 | 161.2° | 171.6° |
| C38 | C37 | C36 | H361 | 171.3° | 81.0° |
| C38 | C37 | C36 | H362 | 69.7° | 158.1° |
| C37 | C38 | H382 | H381 | 119.4° | 118.6° |
| C38 | C37 | C53 | H531 | 40.5° | 68.4° |
| C38 | C37 | C53 | H532 | 78.1° | 51.6° |
| C38 | C37 | O55 | H551 | 63.0° | 55.0° |
| C53 | C37 | C38 | N39 | 173.2° | 86.1° |
| C37 | C53 | C54 | H531 | 120.7° | 120.0° |
| C37 | C53 | C54 | H532 | 120.6° | 120.0° |
| C53 | C37 | C36 | H361 | 73.4° | 156.7° |
| C53 | C37 | C36 | H362 | 45.6° | 35.8° |
| C53 | C37 | C38 | H382 | 53.0° | 153.0° |
| C53 | C37 | C38 | H381 | 66.6° | 34.7° |
| C37 | C53 | H531 | H532 | 118.0° | 120.0° |
| C37 | C53 | C54 | H543 | 180.0° | 53.6° |
| C37 | C53 | C54 | H541 | 60.0° | 66.5° |
| C37 | C53 | C54 | H542 | 60.0° | 173.5° |
| C53 | C37 | O55 | H551 | 52.8° | 62.4° |
| O55 | C37 | C38 | N39 | 53.5° | 157.1° |
| O55 | C37 | C53 | C54 | 79.1° | 54.6° |
| O55 | C37 | C36 | H361 | 51.7° | 39.8° |
| O55 | C37 | C36 | H362 | 170.6° | 81.1° |
| O55 | C37 | C38 | H382 | 66.8° | 36.2° |
| O55 | C37 | C38 | H381 | 173.7° | 82.1° |
| O55 | C37 | C53 | H531 | 160.2° | 174.6° |
| O55 | C37 | C53 | H532 | 41.5° | 65.4° |
| C38 | N39 | C40 | C41 | 105.5° | 178.7° |
| C38 | N39 | C40 | C52 | 163.1° | 119.6° |
| N39 | C38 | H382 | H381 | 119.4° | 119.2° |
| C38 | N39 | C40 | H401 | 133.7° | 60.5° |
| C38 | N39 | C40 | H402 | 15.2° | 63.2° |
| C38 | N39 | C52 | H522 | 64.7° | 156.6° |
| C38 | N39 | C52 | H521 | 176.4° | 29.7° |
| C41 | C40 | N39 | H401 | 120.7° | 118.2° |
| C41 | C40 | N39 | H402 | 120.7° | 118.1° |
| C40 | C41 | C42 | H411 | 120.6° | 122.6° |
| C40 | C41 | C42 | H412 | 120.6° | 117.2° |
| C40 | C41 | C42 | C43 | 74.8° | 71.5° |
| C40 | C41 | C42 | C50 | 105.0° | 109.6° |
| C41 | C40 | N39 | C52 | 57.5° | 61.7° |
| C41 | C40 | H401 | H402 | 117.8° | 122.6° |
| C40 | C41 | H411 | H412 | 118.2° | 118.9° |
| N39 | C40 | C41 | C42 | 97.0° | 37.0° |
| C40 | N39 | C38 | H382 | 25.0° | 59.4° |
| C40 | N39 | C38 | H381 | 144.5° | 59.3° |
| N39 | C40 | H401 | H402 | 117.8° | 124.2° |
| N39 | C40 | C41 | H411 | 23.6° | 86.8° |
| N39 | C40 | C41 | H412 | 142.4° | 154.2° |
| C40 | N39 | C52 | H522 | 128.4° | 25.3° |
| C40 | N39 | C52 | H521 | 9.6° | 101.5° |
| C41 | C42 | C43 | C50 | 179.9° | 179.1° |
| C41 | C42 | C43 | C44 | 0.3° | 1.0° |
| C41 | C42 | C43 | C48 | 179.8° | 178.9° |
| C41 | C42 | C50 | C51 | 1.7° | 2.3° |
| C41 | C42 | C50 | N49 | 179.2° | 177.1° |
| C42 | C41 | C40 | H401 | 23.7° | 81.7° |
| C42 | C41 | C40 | H402 | 142.2° | 155.7° |
| C42 | C41 | H411 | H412 | 118.2° | 120.2° |
| C42 | C43 | C44 | C48 | 179.5° | 179.9° |
| C42 | C43 | C44 | C45 | 180.0° | 179.3° |
| C42 | C43 | C48 | C47 | 179.5° | 179.1° |
| C42 | C43 | C48 | N49 | 0.4° | 0.7° |
| C43 | C42 | C50 | C51 | 178.4° | 176.7° |
| C43 | C42 | C50 | N49 | 0.9° | 3.9° |
| C43 | C42 | C41 | H411 | 164.6° | 165.9° |
| C43 | C42 | C41 | H412 | 45.8° | 45.7° |
| C42 | C43 | C44 | H441 | 0.0° | 0.7° |
| C50 | C42 | C43 | C44 | 179.8° | 178.1° |
| C50 | C42 | C43 | C48 | 0.3° | 2.0° |
| C42 | C50 | N49 | C48 | 1.2° | 4.6° |
| C42 | C50 | C51 | N49 | 177.1° | 179.4° |
| C42 | C50 | C51 | C56 | 108.5° | 34.6° |
| C50 | C42 | C41 | H411 | 15.6° | 12.9° |
| C50 | C42 | C41 | H412 | 134.4° | 133.2° |
| C42 | C50 | N49 | H491 | 178.9° | 173.9° |
| C43 | C44 | C45 | H441 | 180.0° | 179.9° |
| C43 | C44 | C45 | C46 | 1.2° | 0.2° |
| C44 | C43 | C48 | C47 | 0.1° | 1.0° |
| C44 | C43 | C48 | N49 | 179.2° | 179.1° |
| C43 | C44 | C45 | H451 | 178.8° | 179.8° |
| C48 | C43 | C44 | C45 | 0.5° | 0.9° |
| C43 | C48 | C47 | C46 | 0.1° | 0.4° |
| C43 | C48 | C47 | N49 | 178.9° | 179.8° |
| C43 | C48 | N49 | C50 | 1.0° | 3.2° |
| C48 | C43 | C44 | H441 | 179.5° | 179.2° |
| C43 | C48 | C47 | H471 | 179.9° | 179.5° |
| C43 | C48 | N49 | H491 | 179.1° | 175.3° |
| C44 | C45 | C46 | H451 | 180.0° | 180.0° |
| C44 | C45 | C46 | C47 | 1.2° | 0.4° |
| C44 | C45 | C46 | F60 | 179.9° | 179.5° |
| C45 | C46 | C47 | F60 | 178.9° | 179.9° |
| C45 | C46 | C47 | C48 | 0.5° | 0.3° |
| C46 | C45 | C44 | H441 | 178.9° | 179.9° |
| C45 | C46 | C47 | H471 | 179.4° | 179.8° |
| C46 | C47 | C48 | H471 | 180.0° | 179.9° |
| C46 | C47 | C48 | N49 | 178.9° | 179.8° |
| C47 | C46 | C45 | H451 | 178.8° | 179.6° |
| F60 | C46 | C47 | C48 | 179.5° | 179.6° |
| F60 | C46 | C45 | H451 | 0.1° | 0.4° |
| F60 | C46 | C47 | H471 | 0.5° | 0.2° |
| C47 | C48 | N49 | C50 | 180.0° | 176.6° |
| C47 | C48 | N49 | H491 | 0.1° | 4.8° |
| C48 | N49 | C50 | C51 | 178.8° | 175.9° |
| C48 | N49 | C50 | H491 | 180.0° | 178.5° |
| N49 | C48 | C47 | H471 | 1.1° | 0.3° |
| C50 | C51 | C56 | O57 | 100.4° | 121.2° |
| C50 | C51 | C56 | O58 | 80.3° | 58.8° |
| C50 | C51 | C34 | H341 | 163.3° | 106.0° |
| C50 | C51 | C34 | H342 | 45.9° | 133.8° |
| C51 | C50 | N49 | H491 | 1.3° | 5.6° |
| N49 | C50 | C51 | C56 | 68.6° | 146.0° |
| C51 | C56 | O57 | O58 | 179.3° | 180.0° |
| C51 | C56 | O58 | C59 | 162.7° | 180.0° |
| C56 | C51 | C34 | H341 | 41.9° | 129.3° |
| C56 | C51 | C34 | H342 | 75.5° | 9.1° |
| N39 | C52 | C35 | H351 | 161.3° | 27.8° |
| C52 | N39 | C38 | H382 | 171.2° | 60.1° |
| C52 | N39 | C38 | H381 | 51.7° | 178.8° |
| C52 | N39 | C40 | H401 | 63.2° | 179.9° |
| C52 | N39 | C40 | H402 | 178.3° | 56.3° |
| N39 | C52 | H522 | H521 | 118.2° | 126.6° |
| C54 | C53 | H531 | H532 | 118.0° | 120.0° |
| C53 | C54 | H543 | H541 | 120.0° | 120.0° |
| C53 | C54 | H543 | H542 | 120.0° | 120.0° |
| C53 | C54 | H541 | H542 | 120.0° | 120.0° |
| O57 | C56 | O58 | C59 | 17.9° | 0.0° |
| C56 | O58 | C59 | H591 | 180.0° | 60.0° |
| C56 | O58 | C59 | H593 | 60.0° | 60.0° |
| C56 | O58 | C59 | H592 | 60.0° | 180.0° |
| O58 | C59 | H591 | H593 | 120.0° | 119.9° |
| O58 | C59 | H591 | H592 | 120.0° | 120.0° |
| O58 | C59 | H593 | H592 | 120.0° | 120.0° |
| H102 | C10 | C11 | H112 | 115.3° | 145.0° |
| H102 | C10 | C11 | H111 | 7.1° | 22.6° |
| H101 | C10 | C11 | H112 | 5.9° | 22.5° |
| H101 | C10 | C11 | H111 | 128.3° | 100.0° |
| H201 | C20 | C21 | H213 | 59.1° | 60.0° |
| H201 | C20 | C21 | H212 | 60.9° | 180.0° |
| H201 | C20 | C21 | H211 | 179.1° | 60.0° |
| H202 | C20 | C21 | H213 | 59.1° | 180.0° |
| H202 | C20 | C21 | H212 | 179.1° | 60.0° |
| H202 | C20 | C21 | H211 | 60.9° | 60.0° |
| H213 | C21 | H212 | H211 | 120.0° | 120.0° |
| H223 | C22 | H221 | H222 | 120.0° | 120.0° |
| H262 | C26 | H263 | H261 | 120.0° | 120.0° |
| H061 | C06 | C07 | H071 | 30.4° | 0.2° |
| H071 | C07 | C08 | H081 | 56.1° | 40.6° |
| H071 | C07 | C08 | H2 | 63.1° | 79.6° |
| H112 | C11 | C12 | C02 | 23.9° | 3.5° |
| H111 | C11 | C12 | C02 | 146.3° | 118.9° |
| H191 | C19 | C12 | C02 | 162.3° | 152.6° |
| H301 | C30 | H302 | H303 | 120.0° | 120.0° |
| H332 | C33 | H333 | H331 | 120.0° | 120.0° |
| H341 | C34 | C35 | H351 | 60.1° | 80.8° |
| H342 | C34 | C35 | H351 | 177.5° | 158.6° |
| H351 | C35 | C36 | H361 | 79.2° | 171.8° |
| H351 | C35 | C36 | H362 | 39.8° | 67.9° |
| H351 | C35 | C52 | H522 | 40.7° | 91.5° |
| H351 | C35 | C52 | H521 | 78.1° | 142.2° |
| H401 | C40 | C41 | H411 | 144.3° | 154.5° |
| H401 | C40 | C41 | H412 | 96.9° | 35.5° |
| H402 | C40 | C41 | H411 | 97.2° | 31.9° |
| H402 | C40 | C41 | H412 | 21.7° | 87.1° |
| H441 | C44 | C45 | H451 | 1.2° | 0.2° |
| H531 | C53 | C54 | H543 | 59.3° | 173.5° |
| H531 | C53 | C54 | H541 | 179.3° | 53.5° |
| H531 | C53 | C54 | H542 | 60.7° | 66.5° |
| H532 | C53 | C54 | H543 | 59.4° | 66.5° |
| H532 | C53 | C54 | H541 | 60.7° | 173.5° |
| H532 | C53 | C54 | H542 | 179.4° | 53.5° |
| H543 | C54 | H541 | H542 | 120.0° | 120.0° |
| H591 | C59 | H593 | H592 | 120.0° | 120.1° |
