A1EPS
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 | 1.46Å | |
| C13 | C14 | doub | 1.38Å | 1.55Å | Aromatic |
| C13 | C18 | sing | 1.40Å | 1.55Å | Aromatic |
| C15 | C14 | sing | 1.39Å | 1.57Å | Aromatic |
| C15 | C16 | doub | 1.39Å | 1.55Å | Aromatic |
| C15 | C51 | sing | 1.52Å | 1.54Å | |
| C17 | C16 | sing | 1.39Å | 1.55Å | Aromatic |
| C17 | C18 | doub | 1.39Å | 1.54Å | Aromatic |
| C20 | C21 | sing | 1.53Å | 1.56Å | |
| C20 | C05 | sing | 1.53Å | 1.55Å | |
| C22 | N01 | sing | 1.47Å | 1.46Å | |
| C26 | O25 | sing | 1.45Å | 1.42Å | |
| C02 | C03 | sing | 1.51Å | 1.56Å | |
| C02 | N01 | sing | 1.49Å | 1.40Å | |
| C03 | C04 | sing | 1.53Å | 1.41Å | |
| C03 | C23 | sing | 1.51Å | 1.64Å | |
| C03 | O27 | sing | 1.43Å | 1.40Å | |
| C04 | C05 | sing | 1.53Å | 1.46Å | |
| C04 | O28 | sing | 1.45Å | 1.53Å | |
| C05 | C06 | sing | 1.51Å | 1.64Å | |
| C05 | C19 | sing | 1.51Å | 1.43Å | |
| C06 | C07 | doub | 1.30Å | 1.55Å | |
| C07 | C08 | sing | 1.51Å | 1.61Å | |
| C08 | N09 | sing | 1.46Å | 1.45Å | |
| C11 | C12 | sing | 1.55Å | 1.53Å | |
| C12 | C19 | sing | 1.51Å | 1.58Å | |
| C16 | O32 | sing | 1.36Å | 1.40Å | |
| C18 | N01 | sing | 1.39Å | 1.56Å | |
| C19 | N09 | sing | 1.49Å | 1.56Å | |
| C23 | O24 | doub | 1.21Å | 1.19Å | |
| C23 | O25 | sing | 1.34Å | 1.43Å | |
| C29 | C30 | sing | 1.51Å | 1.55Å | |
| C29 | O28 | sing | 1.34Å | 1.41Å | |
| C29 | O31 | doub | 1.21Å | 1.20Å | |
| C33 | O32 | sing | 1.43Å | 1.42Å | |
| C34 | C35 | sing | 1.51Å | 1.58Å | |
| C34 | C51 | sing | 1.57Å | 1.54Å | |
| C35 | C36 | sing | 1.52Å | 1.57Å | |
| C35 | C52 | sing | 1.57Å | 1.53Å | |
| C36 | C37 | sing | 1.54Å | 1.56Å | |
| C37 | C38 | sing | 1.54Å | 1.56Å | |
| C37 | C53 | sing | 1.53Å | 1.53Å | |
| C37 | O55 | sing | 1.43Å | 1.42Å | |
| C38 | N39 | sing | 1.45Å | 1.47Å | |
| C40 | C41 | sing | 1.57Å | 1.53Å | |
| C40 | N39 | sing | 1.46Å | 1.45Å | |
| C41 | C42 | sing | 1.52Å | 1.56Å | |
| C42 | C43 | sing | 1.46Å | 1.39Å | Aromatic |
| C42 | C50 | doub | 1.35Å | 1.42Å | Aromatic |
| C43 | C44 | doub | 1.40Å | 1.56Å | Aromatic |
| C43 | C48 | sing | 1.41Å | 1.39Å | Aromatic |
| C44 | C45 | sing | 1.37Å | 1.49Å | Aromatic |
| C45 | C46 | doub | 1.39Å | 1.47Å | Aromatic |
| C46 | C47 | sing | 1.39Å | 1.49Å | Aromatic |
| C46 | BR60 | sing | 1.89Å | 1.88Å | |
| C47 | C48 | doub | 1.39Å | 1.54Å | Aromatic |
| C48 | N49 | sing | 1.36Å | 1.38Å | Aromatic |
| C50 | C51 | sing | 1.52Å | 1.51Å | |
| C50 | N49 | sing | 1.39Å | 1.39Å | Aromatic |
| C51 | C56 | sing | 1.51Å | 1.56Å | |
| C52 | N39 | sing | 1.50Å | 1.45Å | |
| C53 | C54 | sing | 1.53Å | 1.56Å | |
| C56 | O57 | doub | 1.21Å | 1.22Å | |
| C56 | O58 | sing | 1.34Å | 1.44Å | |
| C59 | O58 | sing | 1.45Å | 1.45Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | 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 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H213 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C22 | H223 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H263 | 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 | H082 | sing | 1.09Å | 1.10Å | |
| 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 | H303 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C33 | H333 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C34 | H342 | sing | 1.10Å | 1.10Å | |
| C34 | H341 | sing | 1.10Å | 1.10Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å | |
| C36 | H361 | 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 | 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 | H543 | sing | 1.09Å | 1.10Å | |
| C54 | H541 | sing | 1.09Å | 1.10Å | |
| C54 | H542 | sing | 1.09Å | 1.10Å | |
| C59 | H592 | sing | 1.09Å | 1.10Å | |
| C59 | H593 | sing | 1.09Å | 1.10Å | |
| C59 | H591 | 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 | 1.52Å | 1.70Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C10 | N09 | 105.4° | 104.3° |
| C10 | C11 | C12 | 101.6° | 104.7° |
| C11 | C10 | H102 | 110.5° | 110.5° |
| C11 | C10 | H101 | 110.5° | 110.5° |
| C10 | C11 | H112 | 111.4° | 110.4° |
| C10 | C11 | H111 | 111.4° | 110.4° |
| C10 | N09 | C08 | 114.9° | 113.2° |
| C10 | N09 | C19 | 104.4° | 103.3° |
| N09 | C10 | H102 | 110.5° | 110.5° |
| N09 | C10 | H101 | 110.5° | 110.4° |
| C12 | C13 | C14 | 137.0° | 130.5° |
| C12 | C13 | C18 | 107.4° | 107.5° |
| C13 | C12 | C11 | 93.3° | 110.0° |
| C13 | C12 | C19 | 117.7° | 112.9° |
| C13 | C12 | C02 | 106.3° | 103.9° |
| C14 | C13 | C18 | 115.6° | 122.0° |
| C13 | C14 | C15 | 121.2° | 117.2° |
| C13 | C14 | H141 | 119.4° | 121.4° |
| C13 | C18 | C17 | 124.6° | 120.4° |
| C13 | C18 | N01 | 109.7° | 111.1° |
| C14 | C15 | C16 | 121.2° | 121.4° |
| C14 | C15 | C51 | 120.8° | 119.3° |
| C15 | C14 | H141 | 119.4° | 121.4° |
| C16 | C15 | C51 | 117.8° | 119.3° |
| C15 | C16 | C17 | 118.2° | 121.7° |
| C15 | C16 | O32 | 118.5° | 119.1° |
| C15 | C51 | C34 | 97.7° | 107.9° |
| C15 | C51 | C50 | 107.6° | 108.7° |
| C15 | C51 | C56 | 113.0° | 106.8° |
| C16 | C17 | C18 | 119.1° | 117.3° |
| C17 | C16 | O32 | 123.3° | 119.2° |
| C16 | C17 | H171 | 120.4° | 121.4° |
| C17 | C18 | N01 | 125.7° | 128.6° |
| C18 | C17 | H171 | 120.4° | 121.3° |
| C21 | C20 | C05 | 114.1° | 109.5° |
| C21 | C20 | H202 | 108.3° | 109.4° |
| C21 | C20 | H201 | 108.3° | 109.5° |
| C20 | C21 | H211 | 109.5° | 109.5° |
| C20 | C21 | H213 | 109.5° | 109.4° |
| C20 | C21 | H212 | 109.5° | 109.5° |
| C20 | C05 | C04 | 108.3° | 109.0° |
| C20 | C05 | C06 | 103.1° | 109.0° |
| C20 | C05 | C19 | 106.2° | 108.6° |
| C05 | C20 | H202 | 108.3° | 109.4° |
| C05 | C20 | H201 | 108.3° | 109.5° |
| C22 | N01 | C02 | 121.0° | 111.0° |
| C22 | N01 | C18 | 115.9° | 111.0° |
| N01 | C22 | H223 | 109.5° | 109.5° |
| N01 | C22 | H222 | 109.5° | 109.5° |
| N01 | C22 | H221 | 109.5° | 109.5° |
| C26 | O25 | C23 | 117.4° | 117.0° |
| O25 | C26 | H262 | 109.5° | 109.4° |
| O25 | C26 | H261 | 109.5° | 109.4° |
| O25 | C26 | H263 | 109.5° | 109.5° |
| C03 | C02 | N01 | 112.6° | 109.2° |
| C02 | C03 | C04 | 109.3° | 111.4° |
| C02 | C03 | C23 | 104.8° | 109.1° |
| C02 | C03 | O27 | 110.1° | 109.1° |
| C03 | C02 | H1 | 108.6° | 109.8° |
| C03 | C02 | C12 | 109.7° | 114.6° |
| C02 | N01 | C18 | 108.5° | 107.7° |
| N01 | C02 | H1 | 110.8° | 109.8° |
| N01 | C02 | C12 | 108.0° | 103.0° |
| C04 | C03 | C23 | 118.6° | 109.1° |
| C04 | C03 | O27 | 108.6° | 109.1° |
| C03 | C04 | C05 | 118.5° | 108.3° |
| C03 | C04 | O28 | 108.8° | 109.7° |
| C03 | C04 | H041 | 108.8° | 109.7° |
| C23 | C03 | O27 | 105.3° | 109.0° |
| C03 | C23 | O24 | 124.1° | 120.0° |
| C03 | C23 | O25 | 118.1° | 120.0° |
| C03 | O27 | H271 | 109.5° | 114.0° |
| C05 | C04 | O28 | 104.7° | 109.7° |
| C04 | C05 | C06 | 112.1° | 109.9° |
| C04 | C05 | C19 | 115.8° | 110.5° |
| C05 | C04 | H041 | 108.2° | 109.7° |
| C04 | O28 | C29 | 113.0° | 117.0° |
| O28 | C04 | H041 | 107.3° | 109.7° |
| C06 | C05 | C19 | 110.4° | 109.8° |
| C05 | C06 | C07 | 114.2° | 123.0° |
| C05 | C06 | H061 | 122.9° | 118.5° |
| C05 | C19 | C12 | 114.3° | 117.7° |
| C05 | C19 | N09 | 118.4° | 109.7° |
| C05 | C19 | H191 | 108.5° | 108.3° |
| C06 | C07 | C08 | 116.1° | 123.3° |
| C07 | C06 | H061 | 122.9° | 118.5° |
| C06 | C07 | H071 | 122.0° | 118.4° |
| C07 | C08 | N09 | 113.3° | 108.9° |
| C08 | C07 | H071 | 121.9° | 118.3° |
| C07 | C08 | H082 | 108.5° | 109.5° |
| C07 | C08 | H081 | 108.5° | 109.6° |
| C08 | N09 | C19 | 111.1° | 109.0° |
| N09 | C08 | H082 | 108.5° | 108.8° |
| N09 | C08 | H081 | 108.5° | 110.4° |
| C11 | C12 | C19 | 100.2° | 104.7° |
| C12 | C11 | H112 | 111.4° | 110.4° |
| C12 | C11 | H111 | 111.4° | 110.4° |
| C11 | C12 | C02 | 126.3° | 108.8° |
| C12 | C19 | N09 | 101.2° | 105.1° |
| C12 | C19 | H191 | 106.7° | 108.3° |
| C19 | C12 | C02 | 112.6° | 116.5° |
| C16 | O32 | C33 | 118.4° | 116.9° |
| N09 | C19 | H191 | 106.9° | 107.4° |
| O24 | C23 | O25 | 117.8° | 120.0° |
| C30 | C29 | O28 | 116.4° | 120.0° |
| C30 | C29 | O31 | 123.1° | 120.0° |
| C29 | C30 | H301 | 109.5° | 109.5° |
| C29 | C30 | H303 | 109.5° | 109.5° |
| C29 | C30 | H302 | 109.5° | 109.5° |
| O28 | C29 | O31 | 120.5° | 120.0° |
| O32 | C33 | H333 | 109.5° | 109.4° |
| O32 | C33 | H331 | 109.4° | 109.5° |
| O32 | C33 | H332 | 109.5° | 109.5° |
| C35 | C34 | C51 | 120.0° | 105.4° |
| C34 | C35 | C36 | 104.6° | 120.9° |
| C34 | C35 | C52 | 119.7° | 104.8° |
| C35 | C34 | H342 | 106.8° | 110.9° |
| C35 | C34 | H341 | 106.8° | 110.9° |
| C34 | C35 | H351 | 106.7° | 112.0° |
| C34 | C51 | C50 | 120.9° | 110.0° |
| C34 | C51 | C56 | 115.2° | 111.3° |
| C51 | C34 | H342 | 106.8° | 110.6° |
| C51 | C34 | H341 | 106.8° | 110.5° |
| C36 | C35 | C52 | 111.1° | 101.4° |
| C35 | C36 | C37 | 109.2° | 107.7° |
| C36 | C35 | H351 | 106.8° | 107.0° |
| C35 | C36 | H362 | 109.6° | 109.6° |
| C35 | C36 | H361 | 109.5° | 109.5° |
| C35 | C52 | N39 | 118.6° | 94.9° |
| C52 | C35 | H351 | 107.2° | 110.0° |
| C35 | C52 | H522 | 107.1° | 113.8° |
| C35 | C52 | H521 | 107.1° | 110.7° |
| C36 | C37 | C38 | 113.4° | 114.2° |
| C36 | C37 | C53 | 121.2° | 108.5° |
| C36 | C37 | O55 | 88.2° | 108.7° |
| C37 | C36 | H362 | 109.5° | 110.0° |
| C37 | C36 | H361 | 109.5° | 109.8° |
| C38 | C37 | C53 | 121.7° | 108.4° |
| C38 | C37 | O55 | 82.9° | 108.6° |
| C37 | C38 | N39 | 107.8° | 110.9° |
| C37 | C38 | H382 | 109.9° | 109.2° |
| C37 | C38 | H381 | 109.9° | 109.1° |
| C53 | C37 | O55 | 80.0° | 108.4° |
| C37 | C53 | C54 | 115.4° | 109.5° |
| C37 | C53 | H531 | 108.0° | 109.5° |
| C37 | C53 | H532 | 108.0° | 109.5° |
| C37 | O55 | H551 | 109.5° | 114.0° |
| C38 | N39 | C40 | 130.9° | 123.6° |
| C38 | N39 | C52 | 111.3° | 104.9° |
| N39 | C38 | H382 | 109.9° | 109.4° |
| N39 | C38 | H381 | 109.9° | 109.4° |
| C41 | C40 | N39 | 112.6° | 102.5° |
| C40 | C41 | C42 | 107.7° | 107.8° |
| C41 | C40 | H401 | 108.7° | 110.5° |
| C41 | C40 | H402 | 108.7° | 110.6° |
| C40 | C41 | H412 | 109.9° | 110.7° |
| C40 | C41 | H411 | 109.9° | 108.4° |
| C40 | N39 | C52 | 114.0° | 104.8° |
| N39 | C40 | H401 | 108.7° | 111.3° |
| N39 | C40 | H402 | 108.7° | 111.4° |
| C41 | C42 | C43 | 124.5° | 121.2° |
| C41 | C42 | C50 | 128.3° | 131.6° |
| C42 | C41 | H412 | 109.9° | 112.8° |
| C42 | C41 | H411 | 109.9° | 108.5° |
| C43 | C42 | C50 | 107.1° | 107.1° |
| C42 | C43 | C44 | 129.4° | 131.7° |
| C42 | C43 | C48 | 107.6° | 106.5° |
| C42 | C50 | C51 | 125.7° | 131.9° |
| C42 | C50 | N49 | 108.3° | 108.4° |
| C44 | C43 | C48 | 123.0° | 121.7° |
| C43 | C44 | C45 | 118.3° | 116.6° |
| C43 | C44 | H441 | 120.8° | 121.7° |
| C43 | C48 | C47 | 120.1° | 120.5° |
| C43 | C48 | N49 | 109.8° | 106.7° |
| C44 | C45 | C46 | 117.1° | 122.1° |
| C45 | C44 | H441 | 120.9° | 121.7° |
| C44 | C45 | H451 | 121.5° | 118.9° |
| C45 | C46 | C47 | 125.4° | 122.3° |
| C45 | C46 | BR60 | 120.2° | 118.8° |
| C46 | C45 | H451 | 121.5° | 119.1° |
| C47 | C46 | BR60 | 114.3° | 118.9° |
| C46 | C47 | C48 | 116.1° | 116.8° |
| C46 | C47 | H471 | 121.9° | 121.6° |
| C47 | C48 | N49 | 130.1° | 132.7° |
| C48 | C47 | H471 | 122.0° | 121.6° |
| C48 | N49 | C50 | 107.1° | 111.0° |
| C48 | N49 | H491 | 126.4° | 123.4° |
| C51 | C50 | N49 | 126.0° | 119.7° |
| C50 | C51 | C56 | 102.6° | 112.0° |
| C50 | N49 | H491 | 126.5° | 125.5° |
| C51 | C56 | O57 | 119.4° | 120.0° |
| C51 | C56 | O58 | 119.0° | 120.0° |
| N39 | C52 | H522 | 107.2° | 114.4° |
| N39 | C52 | H521 | 107.2° | 110.9° |
| C54 | C53 | H531 | 107.9° | 109.5° |
| C54 | C53 | H532 | 107.9° | 109.5° |
| C53 | C54 | H543 | 109.5° | 109.5° |
| C53 | C54 | H541 | 109.5° | 109.5° |
| C53 | C54 | H542 | 109.5° | 109.4° |
| O57 | C56 | O58 | 121.6° | 120.0° |
| C56 | O58 | C59 | 122.5° | 117.0° |
| O58 | C59 | H592 | 109.5° | 109.4° |
| O58 | C59 | H593 | 109.5° | 109.5° |
| O58 | C59 | H591 | 109.5° | 109.5° |
| H102 | C10 | H101 | 109.4° | 110.5° |
| H202 | C20 | H201 | 109.5° | 109.5° |
| H211 | C21 | H213 | 109.5° | 109.5° |
| H211 | C21 | H212 | 109.4° | 109.5° |
| H213 | C21 | H212 | 109.5° | 109.4° |
| H223 | C22 | H222 | 109.5° | 109.4° |
| H223 | C22 | H221 | 109.5° | 109.4° |
| H222 | C22 | H221 | 109.4° | 109.5° |
| H262 | C26 | H261 | 109.5° | 109.4° |
| H262 | C26 | H263 | 109.4° | 109.5° |
| H261 | C26 | H263 | 109.5° | 109.5° |
| H1 | C02 | C12 | 107.0° | 110.1° |
| H082 | C08 | H081 | 109.5° | 109.6° |
| H112 | C11 | H111 | 109.5° | 110.4° |
| H301 | C30 | H303 | 109.5° | 109.4° |
| H301 | C30 | H302 | 109.5° | 109.4° |
| H303 | C30 | H302 | 109.4° | 109.5° |
| H333 | C33 | H331 | 109.5° | 109.4° |
| H333 | C33 | H332 | 109.4° | 109.4° |
| H331 | C33 | H332 | 109.5° | 109.5° |
| H342 | C34 | H341 | 109.5° | 108.5° |
| H362 | C36 | H361 | 109.5° | 110.2° |
| H382 | C38 | H381 | 109.4° | 108.8° |
| H401 | C40 | H402 | 109.4° | 110.4° |
| H412 | C41 | H411 | 109.5° | 108.5° |
| H522 | C52 | H521 | 109.5° | 111.2° |
| H531 | C53 | H532 | 109.5° | 109.4° |
| H543 | C54 | H541 | 109.5° | 109.5° |
| H543 | C54 | H542 | 109.5° | 109.5° |
| H541 | C54 | H542 | 109.4° | 109.4° |
| H592 | C59 | H593 | 109.5° | 109.4° |
| H592 | C59 | H591 | 109.5° | 109.5° |
| H593 | C59 | H591 | 109.4° | 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 | 159.1° | 124.4° |
| C11 | C10 | N09 | C08 | 139.2° | 157.5° |
| C10 | C11 | C12 | H112 | 118.7° | 118.8° |
| C10 | C11 | C12 | H111 | 118.7° | 118.8° |
| C10 | C11 | C12 | C19 | 40.2° | 2.9° |
| C11 | C10 | N09 | C19 | 17.3° | 39.8° |
| C11 | C10 | H102 | H101 | 121.9° | 122.6° |
| C10 | C11 | H112 | H111 | 123.7° | 122.4° |
| C10 | C11 | C12 | C02 | 87.8° | 122.3° |
| C10 | N09 | C19 | C05 | 168.8° | 169.6° |
| C10 | N09 | C08 | C07 | 154.4° | 168.8° |
| C10 | N09 | C08 | C19 | 118.2° | 114.3° |
| N09 | C10 | C11 | C12 | 15.0° | 22.5° |
| C10 | N09 | C19 | C12 | 43.0° | 42.3° |
| N09 | C10 | H102 | H101 | 121.9° | 122.5° |
| C10 | N09 | C08 | H082 | 85.0° | 71.9° |
| C10 | N09 | C08 | H081 | 33.9° | 48.4° |
| N09 | C10 | C11 | H112 | 133.6° | 96.3° |
| N09 | C10 | C11 | H111 | 103.8° | 141.3° |
| C10 | N09 | C19 | H191 | 68.4° | 72.9° |
| C12 | C13 | C14 | C18 | 179.4° | 180.0° |
| C12 | C13 | C14 | C15 | 178.5° | 179.8° |
| C12 | C13 | C18 | C17 | 177.5° | 179.7° |
| C13 | C12 | C02 | C03 | 119.2° | 94.3° |
| C13 | C12 | C02 | N01 | 3.9° | 24.2° |
| C13 | C12 | C19 | C05 | 79.7° | 90.8° |
| C13 | C12 | C11 | C19 | 118.9° | 121.6° |
| C13 | C12 | C11 | C02 | 113.1° | 113.2° |
| C13 | C12 | C19 | C02 | 124.2° | 120.2° |
| C12 | C13 | C18 | N01 | 0.0° | 0.7° |
| C13 | C12 | C19 | N09 | 151.9° | 146.9° |
| C13 | C12 | C02 | H1 | 123.1° | 141.3° |
| C13 | C12 | C11 | H112 | 82.2° | 116.7° |
| C13 | C12 | C11 | H111 | 40.4° | 5.7° |
| C12 | C13 | C14 | H141 | 1.5° | 0.1° |
| C13 | C12 | C19 | H191 | 40.3° | 32.4° |
| C13 | C14 | C15 | H141 | 180.0° | 179.9° |
| C13 | C14 | C15 | C16 | 0.6° | 0.0° |
| C13 | C14 | C15 | C51 | 175.8° | 180.0° |
| C14 | C13 | C18 | C17 | 2.1° | 0.3° |
| C14 | C13 | C12 | C11 | 52.2° | 78.9° |
| C14 | C13 | C12 | C19 | 51.2° | 37.6° |
| C14 | C13 | C18 | N01 | 179.6° | 179.3° |
| C14 | C13 | C12 | C02 | 178.4° | 164.8° |
| C18 | C13 | C14 | C15 | 0.9° | 0.2° |
| C13 | C18 | C17 | C16 | 1.7° | 0.3° |
| C13 | C18 | C17 | N01 | 177.2° | 179.6° |
| C13 | C18 | N01 | C22 | 137.4° | 104.6° |
| C13 | C18 | N01 | C02 | 2.6° | 17.1° |
| C18 | C13 | C12 | C11 | 127.3° | 101.1° |
| C18 | C13 | C12 | C19 | 129.4° | 142.4° |
| C13 | C18 | C17 | H171 | 178.4° | 179.9° |
| C18 | C13 | C14 | H141 | 179.1° | 179.9° |
| C18 | C13 | C12 | C02 | 2.1° | 15.2° |
| C14 | C15 | C16 | C51 | 175.3° | 180.0° |
| C14 | C15 | C16 | C17 | 1.0° | 0.1° |
| C14 | C15 | C16 | O32 | 179.2° | 179.9° |
| C14 | C15 | C51 | C34 | 92.4° | 8.2° |
| C14 | C15 | C51 | C50 | 33.5° | 127.5° |
| C14 | C15 | C51 | C56 | 146.0° | 111.5° |
| C15 | C16 | C17 | O32 | 179.8° | 180.0° |
| C15 | C16 | C17 | C18 | 0.0° | 0.1° |
| C15 | C16 | O32 | C33 | 164.0° | 180.0° |
| C16 | C15 | C51 | C34 | 83.0° | 171.8° |
| C16 | C15 | C51 | C50 | 151.2° | 52.6° |
| C16 | C15 | C51 | C56 | 38.6° | 68.5° |
| C15 | C16 | C17 | H171 | 180.0° | 179.9° |
| C16 | C15 | C14 | H141 | 179.5° | 179.9° |
| C51 | C15 | C16 | C17 | 176.4° | 179.9° |
| C51 | C15 | C16 | O32 | 3.8° | 0.1° |
| C15 | C51 | C34 | C35 | 52.9° | 132.5° |
| C15 | C51 | C34 | C50 | 115.8° | 118.4° |
| C15 | C51 | C34 | C56 | 120.0° | 116.8° |
| C15 | C51 | C50 | C42 | 135.8° | 152.1° |
| C15 | C51 | C50 | C56 | 119.4° | 117.7° |
| C15 | C51 | C50 | N49 | 46.9° | 28.4° |
| C15 | C51 | C56 | O57 | 41.3° | 120.1° |
| C15 | C51 | C56 | O58 | 137.6° | 60.0° |
| C51 | C15 | C14 | H141 | 4.2° | 0.1° |
| C15 | C51 | C34 | H342 | 68.6° | 12.6° |
| C15 | C51 | C34 | H341 | 174.4° | 107.6° |
| C16 | C17 | C18 | H171 | 180.0° | 179.9° |
| C16 | C17 | C18 | N01 | 178.8° | 179.3° |
| C17 | C16 | O32 | C33 | 15.8° | 0.0° |
| C17 | C18 | N01 | C22 | 40.1° | 75.0° |
| C17 | C18 | N01 | C02 | 179.9° | 163.3° |
| C18 | C17 | C16 | O32 | 179.8° | 180.0° |
| C21 | C20 | C05 | H202 | 120.7° | 119.9° |
| C21 | C20 | C05 | H201 | 120.7° | 120.1° |
| C21 | C20 | C05 | C04 | 161.4° | 153.5° |
| C21 | C20 | C05 | C06 | 42.4° | 33.6° |
| C21 | C20 | C05 | C19 | 73.7° | 86.0° |
| C21 | C20 | H202 | H201 | 117.9° | 120.1° |
| C20 | C21 | H211 | H213 | 120.0° | 120.0° |
| C20 | C21 | H211 | H212 | 120.0° | 120.1° |
| C20 | C21 | H213 | H212 | 120.0° | 120.0° |
| C20 | C05 | C04 | C03 | 151.7° | 58.7° |
| C20 | C05 | C04 | C06 | 113.1° | 119.4° |
| C20 | C05 | C04 | C19 | 119.1° | 119.3° |
| C20 | C05 | C04 | O28 | 86.9° | 178.4° |
| C20 | C05 | C06 | C19 | 113.1° | 118.9° |
| C20 | C05 | C06 | C07 | 95.6° | 132.1° |
| C20 | C05 | C19 | C12 | 94.7° | 74.9° |
| C20 | C05 | C19 | N09 | 146.2° | 165.1° |
| C05 | C20 | H202 | H201 | 117.8° | 120.0° |
| C05 | C20 | C21 | H211 | 180.0° | 59.9° |
| C05 | C20 | C21 | H213 | 60.0° | 60.1° |
| C05 | C20 | C21 | H212 | 60.0° | 180.0° |
| C20 | C05 | C04 | H041 | 27.3° | 61.1° |
| C20 | C05 | C06 | H061 | 84.4° | 47.9° |
| C20 | C05 | C19 | H191 | 24.2° | 48.2° |
| C22 | N01 | C02 | C03 | 105.0° | 141.7° |
| C22 | N01 | C02 | C18 | 137.5° | 121.7° |
| N01 | C22 | H223 | H222 | 120.0° | 120.0° |
| N01 | C22 | H223 | H221 | 120.0° | 120.0° |
| N01 | C22 | H222 | H221 | 120.0° | 120.0° |
| C22 | N01 | C02 | H1 | 16.9° | 21.2° |
| C22 | N01 | C02 | C12 | 133.8° | 96.1° |
| C26 | O25 | C23 | C03 | 67.8° | 180.0° |
| C26 | O25 | C23 | O24 | 112.4° | 0.0° |
| O25 | C26 | H262 | H261 | 120.0° | 119.9° |
| O25 | C26 | H262 | H263 | 120.0° | 120.1° |
| O25 | C26 | H261 | H263 | 120.0° | 120.0° |
| C03 | C02 | N01 | H1 | 121.9° | 120.5° |
| C03 | C02 | N01 | C12 | 121.2° | 122.2° |
| C02 | C03 | C04 | C23 | 119.9° | 120.5° |
| C02 | C03 | C04 | O27 | 120.1° | 120.5° |
| C02 | C03 | C23 | O27 | 116.1° | 119.1° |
| C02 | C03 | C04 | C05 | 67.2° | 63.6° |
| C02 | C03 | C04 | O28 | 173.5° | 56.1° |
| C03 | C02 | C12 | C11 | 134.0° | 148.6° |
| C03 | C02 | C12 | C19 | 11.1° | 30.6° |
| C03 | C02 | N01 | C18 | 117.5° | 96.6° |
| C02 | C03 | C23 | O24 | 84.4° | 8.4° |
| C02 | C03 | C23 | O25 | 95.8° | 171.6° |
| C03 | C02 | H1 | C12 | 118.3° | 127.1° |
| C02 | C03 | C04 | H041 | 57.0° | 176.7° |
| C02 | C03 | O27 | H271 | 180.0° | 180.0° |
| N01 | C02 | C03 | C04 | 81.2° | 163.2° |
| N01 | C02 | C03 | C23 | 46.9° | 42.7° |
| N01 | C02 | C03 | O27 | 159.6° | 76.3° |
| N01 | C02 | C12 | C11 | 103.0° | 92.9° |
| N01 | C02 | C12 | C19 | 134.1° | 149.1° |
| C02 | N01 | C22 | H223 | 180.0° | 60.0° |
| C02 | N01 | C22 | H222 | 60.0° | 180.0° |
| C02 | N01 | C22 | H221 | 60.0° | 60.0° |
| N01 | C02 | H1 | C12 | 117.5° | 112.7° |
| C04 | C03 | C23 | O27 | 121.7° | 119.0° |
| C03 | C04 | C05 | O28 | 121.4° | 119.7° |
| C03 | C04 | C05 | H041 | 124.4° | 119.7° |
| C03 | C04 | O28 | H041 | 117.5° | 120.6° |
| C03 | C04 | C05 | C06 | 95.3° | 178.0° |
| C03 | C04 | C05 | C19 | 32.6° | 60.6° |
| C04 | C03 | C23 | O24 | 37.8° | 113.5° |
| C04 | C03 | C23 | O25 | 142.0° | 66.5° |
| C03 | C04 | O28 | C29 | 109.9° | 90.0° |
| C04 | C03 | C02 | H1 | 155.8° | 76.3° |
| C04 | C03 | O27 | H271 | 60.3° | 58.1° |
| C04 | C03 | C02 | C12 | 39.1° | 48.3° |
| C23 | C03 | C04 | C05 | 173.0° | 56.9° |
| C23 | C03 | C04 | O28 | 53.7° | 176.7° |
| C03 | C23 | O24 | O25 | 179.8° | 180.0° |
| C23 | C03 | C02 | H1 | 76.2° | 163.2° |
| C23 | C03 | C04 | H041 | 62.9° | 62.8° |
| C23 | C03 | O27 | H271 | 67.6° | 60.9° |
| C23 | C03 | C02 | C12 | 167.2° | 72.2° |
| O27 | C03 | C04 | C05 | 53.0° | 175.9° |
| O27 | C03 | C04 | O28 | 66.4° | 64.3° |
| O27 | C03 | C23 | O24 | 159.5° | 127.5° |
| O27 | C03 | C23 | O25 | 20.2° | 52.5° |
| O27 | C03 | C02 | H1 | 36.6° | 44.2° |
| O27 | C03 | C04 | H041 | 177.1° | 56.2° |
| O27 | C03 | C02 | C12 | 80.1° | 168.7° |
| C05 | C04 | O28 | H041 | 114.8° | 120.5° |
| C04 | C05 | C06 | C19 | 130.7° | 121.7° |
| C04 | C05 | C06 | C07 | 148.1° | 108.5° |
| C04 | C05 | C19 | C12 | 25.5° | 44.6° |
| C04 | C05 | C19 | N09 | 93.6° | 75.3° |
| C05 | C04 | O28 | C29 | 122.5° | 151.1° |
| C04 | C05 | C20 | H202 | 77.9° | 86.5° |
| C04 | C05 | C20 | H201 | 40.7° | 33.4° |
| C04 | C05 | C06 | H061 | 31.9° | 71.5° |
| C04 | C05 | C19 | H191 | 144.4° | 167.8° |
| O28 | C04 | C05 | C06 | 26.1° | 62.2° |
| O28 | C04 | C05 | C19 | 154.0° | 59.1° |
| C04 | O28 | C29 | C30 | 170.7° | 180.0° |
| C04 | O28 | C29 | O31 | 8.4° | 0.0° |
| C05 | C06 | C07 | H061 | 180.0° | 179.9° |
| C05 | C06 | C07 | C08 | 42.4° | 0.9° |
| C06 | C05 | C19 | C12 | 154.2° | 166.0° |
| C06 | C05 | C19 | N09 | 35.1° | 46.0° |
| C06 | C05 | C20 | H202 | 163.1° | 153.6° |
| C06 | C05 | C20 | H201 | 78.3° | 86.5° |
| C06 | C05 | C04 | H041 | 140.3° | 58.3° |
| C05 | C06 | C07 | H071 | 137.6° | 179.8° |
| C06 | C05 | C19 | H191 | 86.9° | 70.9° |
| C19 | C05 | C06 | C07 | 17.5° | 13.2° |
| C05 | C19 | N09 | C08 | 66.9° | 69.8° |
| C05 | C19 | C12 | C11 | 179.0° | 149.6° |
| C05 | C19 | C12 | N09 | 128.4° | 122.3° |
| C05 | C19 | C12 | H191 | 120.0° | 123.2° |
| C05 | C19 | N09 | H191 | 122.8° | 117.5° |
| C19 | C05 | C20 | H202 | 47.0° | 33.9° |
| C19 | C05 | C20 | H201 | 165.6° | 153.9° |
| C19 | C05 | C04 | H041 | 91.8° | 179.6° |
| C19 | C05 | C06 | H061 | 162.5° | 166.8° |
| C05 | C19 | C12 | C02 | 44.5° | 29.4° |
| C06 | C07 | C08 | H071 | 180.0° | 178.9° |
| C06 | C07 | C08 | N09 | 13.3° | 21.7° |
| C06 | C07 | C08 | H082 | 107.3° | 140.5° |
| C06 | C07 | C08 | H081 | 133.8° | 99.2° |
| C07 | C08 | N09 | H082 | 120.6° | 119.3° |
| C07 | C08 | N09 | H081 | 120.5° | 120.4° |
| C07 | C08 | N09 | C19 | 36.3° | 54.5° |
| C08 | C07 | C06 | H061 | 137.5° | 179.1° |
| C07 | C08 | H082 | H081 | 118.2° | 120.2° |
| C08 | N09 | C19 | C12 | 167.4° | 162.8° |
| C08 | N09 | C10 | H102 | 19.8° | 38.8° |
| C08 | N09 | C10 | H101 | 101.4° | 83.8° |
| N09 | C08 | C07 | H071 | 166.7° | 159.5° |
| N09 | C08 | H082 | H081 | 118.2° | 120.8° |
| C08 | N09 | C19 | H191 | 55.9° | 47.7° |
| C11 | C12 | C19 | C02 | 136.6° | 120.2° |
| C11 | C12 | C19 | N09 | 52.6° | 27.3° |
| C12 | C11 | C10 | H102 | 134.3° | 96.2° |
| C12 | C11 | C10 | H101 | 104.4° | 141.2° |
| C11 | C12 | C02 | H1 | 16.3° | 24.2° |
| C12 | C11 | H112 | H111 | 123.7° | 122.3° |
| C11 | C12 | C19 | H191 | 59.0° | 87.2° |
| C12 | C19 | N09 | H191 | 111.4° | 115.1° |
| C19 | C12 | C02 | H1 | 106.6° | 93.8° |
| C19 | C12 | C11 | H112 | 158.9° | 121.7° |
| C19 | C12 | C11 | H111 | 78.5° | 115.9° |
| O32 | C16 | C17 | H171 | 0.2° | 0.1° |
| C16 | O32 | C33 | H333 | 180.0° | 180.0° |
| C16 | O32 | C33 | H331 | 60.0° | 60.0° |
| C16 | O32 | C33 | H332 | 60.0° | 60.1° |
| N01 | C18 | C17 | H171 | 1.2° | 0.6° |
| C18 | N01 | C22 | H223 | 45.4° | 59.8° |
| C18 | N01 | C22 | H222 | 165.4° | 60.2° |
| C18 | N01 | C22 | H221 | 74.6° | 179.7° |
| C18 | N01 | C02 | H1 | 120.6° | 142.9° |
| C18 | N01 | C02 | C12 | 3.8° | 25.6° |
| C19 | N09 | C10 | H102 | 102.0° | 79.0° |
| C19 | N09 | C10 | H101 | 136.7° | 158.5° |
| C19 | N09 | C08 | H082 | 156.9° | 173.8° |
| C19 | N09 | C08 | H081 | 84.3° | 65.9° |
| N09 | C19 | C12 | C02 | 84.0° | 92.9° |
| C23 | O25 | C26 | H262 | 180.0° | 60.1° |
| C23 | O25 | C26 | H261 | 60.0° | 180.0° |
| C23 | O25 | C26 | H263 | 60.0° | 60.0° |
| C30 | C29 | O28 | O31 | 179.1° | 180.0° |
| C29 | C30 | H301 | H303 | 120.0° | 120.0° |
| C29 | C30 | H301 | H302 | 120.0° | 120.1° |
| C29 | C30 | H303 | H302 | 120.0° | 120.1° |
| C29 | O28 | C04 | H041 | 7.7° | 30.6° |
| O28 | C29 | C30 | H301 | 179.1° | 90.1° |
| O28 | C29 | C30 | H303 | 60.9° | 150.0° |
| O28 | C29 | C30 | H302 | 59.0° | 30.0° |
| O31 | C29 | C30 | H301 | 0.0° | 90.0° |
| O31 | C29 | C30 | H303 | 120.0° | 30.0° |
| O31 | C29 | C30 | H302 | 120.0° | 150.0° |
| O32 | C33 | H333 | H331 | 120.0° | 120.0° |
| O32 | C33 | H333 | H332 | 120.0° | 120.0° |
| O32 | C33 | H331 | H332 | 120.0° | 120.1° |
| C35 | C34 | C51 | H342 | 121.5° | 119.9° |
| C35 | C34 | C51 | H341 | 121.5° | 119.8° |
| C34 | C35 | C36 | C52 | 130.5° | 115.0° |
| C34 | C35 | C36 | H351 | 112.9° | 129.7° |
| C34 | C35 | C52 | H351 | 121.5° | 120.5° |
| C34 | C35 | C36 | C37 | 87.2° | 179.8° |
| C35 | C34 | C51 | C50 | 62.9° | 14.1° |
| C35 | C34 | C51 | C56 | 172.9° | 110.7° |
| C34 | C35 | C52 | N39 | 75.6° | 148.0° |
| C35 | C34 | H342 | H341 | 115.2° | 122.1° |
| C34 | C35 | C36 | H362 | 32.7° | 60.6° |
| C34 | C35 | C36 | H361 | 152.8° | 60.4° |
| C34 | C35 | C52 | H522 | 163.1° | 28.5° |
| C34 | C35 | C52 | H521 | 45.7° | 97.5° |
| C51 | C34 | C35 | C36 | 175.6° | 167.2° |
| C51 | C34 | C35 | C52 | 59.2° | 79.5° |
| C34 | C51 | C50 | C42 | 25.2° | 89.9° |
| C34 | C51 | C50 | C56 | 129.9° | 124.3° |
| C34 | C51 | C50 | N49 | 157.5° | 89.6° |
| C34 | C51 | C56 | O57 | 152.4° | 2.5° |
| C34 | C51 | C56 | O58 | 26.5° | 177.6° |
| C51 | C34 | H342 | H341 | 115.2° | 121.4° |
| C51 | C34 | C35 | H351 | 62.6° | 39.7° |
| C36 | C35 | C52 | H351 | 116.4° | 113.0° |
| C35 | C36 | C37 | H362 | 120.0° | 119.4° |
| C35 | C36 | C37 | H361 | 119.9° | 119.2° |
| C35 | C36 | C37 | C38 | 53.4° | 42.2° |
| C35 | C36 | C37 | C53 | 148.0° | 163.2° |
| C35 | C36 | C37 | O55 | 134.9° | 79.2° |
| C36 | C35 | C52 | N39 | 46.4° | 85.6° |
| C36 | C35 | C34 | H342 | 54.1° | 47.5° |
| C36 | C35 | C34 | H341 | 62.9° | 73.2° |
| C35 | C36 | H362 | H361 | 120.1° | 120.6° |
| C36 | C35 | C52 | H522 | 74.9° | 155.0° |
| C36 | C35 | C52 | H521 | 167.7° | 29.0° |
| C52 | C35 | C36 | C37 | 43.2° | 65.2° |
| C35 | C52 | N39 | C38 | 54.9° | 84.1° |
| C35 | C52 | N39 | C40 | 105.7° | 144.4° |
| C35 | C52 | N39 | H522 | 121.3° | 119.0° |
| C35 | C52 | N39 | H521 | 121.3° | 114.4° |
| C52 | C35 | C34 | H342 | 179.4° | 160.8° |
| C52 | C35 | C34 | H341 | 62.3° | 40.1° |
| C52 | C35 | C36 | H362 | 163.2° | 54.4° |
| C52 | C35 | C36 | H361 | 76.7° | 175.4° |
| C35 | C52 | H522 | H521 | 115.8° | 125.8° |
| C36 | C37 | C38 | C53 | 158.5° | 121.0° |
| C36 | C37 | C38 | O55 | 84.9° | 121.4° |
| C36 | C37 | C53 | O55 | 81.7° | 117.8° |
| C36 | C37 | C38 | N39 | 61.1° | 39.9° |
| C36 | C37 | C53 | C54 | 35.0° | 175.0° |
| C37 | C36 | C35 | H351 | 159.9° | 50.1° |
| C37 | C36 | H362 | H361 | 120.1° | 121.2° |
| C36 | C37 | C38 | H382 | 179.2° | 80.8° |
| C36 | C37 | C38 | H381 | 58.7° | 160.5° |
| C36 | C37 | C53 | H531 | 155.9° | 55.0° |
| C36 | C37 | C53 | H532 | 85.8° | 65.0° |
| C36 | C37 | O55 | H551 | 180.0° | 180.0° |
| C38 | C37 | C53 | O55 | 75.2° | 117.7° |
| C37 | C38 | N39 | H382 | 119.8° | 120.6° |
| C37 | C38 | N39 | H381 | 119.8° | 120.4° |
| C37 | C38 | N39 | C40 | 97.9° | 178.4° |
| C37 | C38 | N39 | C52 | 58.4° | 62.0° |
| C38 | C37 | C53 | C54 | 121.9° | 50.6° |
| C38 | C37 | C36 | H362 | 173.4° | 77.2° |
| C38 | C37 | C36 | H361 | 66.6° | 161.4° |
| C37 | C38 | H382 | H381 | 120.7° | 119.0° |
| C38 | C37 | C53 | H531 | 1.0° | 69.5° |
| C38 | C37 | C53 | H532 | 117.3° | 170.6° |
| C38 | C37 | O55 | H551 | 66.1° | 55.3° |
| C53 | C37 | C38 | N39 | 140.4° | 160.9° |
| C37 | C53 | C54 | H531 | 120.9° | 120.0° |
| C37 | C53 | C54 | H532 | 120.9° | 120.0° |
| C53 | C37 | C36 | H362 | 28.0° | 43.8° |
| C53 | C37 | C36 | H361 | 92.1° | 77.6° |
| C53 | C37 | C38 | H382 | 20.6° | 40.2° |
| C53 | C37 | C38 | H381 | 99.8° | 78.5° |
| C37 | C53 | H531 | H532 | 117.3° | 120.0° |
| C37 | C53 | C54 | H543 | 180.0° | 180.0° |
| C37 | C53 | C54 | H541 | 60.0° | 60.0° |
| C37 | C53 | C54 | H542 | 60.0° | 60.0° |
| C53 | C37 | O55 | H551 | 57.9° | 62.3° |
| O55 | C37 | C38 | N39 | 146.0° | 81.5° |
| O55 | C37 | C53 | C54 | 46.7° | 67.2° |
| O55 | C37 | C36 | H362 | 105.2° | 161.4° |
| O55 | C37 | C36 | H361 | 14.9° | 40.0° |
| O55 | C37 | C38 | H382 | 94.2° | 157.8° |
| O55 | C37 | C38 | H381 | 26.2° | 39.0° |
| O55 | C37 | C53 | H531 | 74.2° | 172.8° |
| O55 | C37 | C53 | H532 | 167.5° | 52.8° |
| C38 | N39 | C40 | C41 | 95.2° | 178.7° |
| C38 | N39 | C40 | C52 | 155.9° | 119.7° |
| N39 | C38 | H382 | H381 | 120.8° | 119.4° |
| C38 | N39 | C40 | H401 | 144.3° | 60.5° |
| C38 | N39 | C40 | H402 | 25.3° | 63.1° |
| C38 | N39 | C52 | H522 | 66.4° | 156.9° |
| C38 | N39 | C52 | H521 | 176.2° | 30.2° |
| C41 | C40 | N39 | H401 | 120.5° | 118.2° |
| C41 | C40 | N39 | H402 | 120.5° | 118.2° |
| C40 | C41 | C42 | H412 | 119.7° | 122.6° |
| C40 | C41 | C42 | H411 | 119.7° | 117.1° |
| C40 | C41 | C42 | C43 | 66.3° | 71.9° |
| C40 | C41 | C42 | C50 | 111.9° | 109.6° |
| C41 | C40 | N39 | C52 | 60.6° | 61.7° |
| C41 | C40 | H401 | H402 | 118.6° | 122.7° |
| C40 | C41 | H412 | H411 | 120.8° | 118.9° |
| N39 | C40 | C41 | C42 | 98.5° | 36.8° |
| C40 | N39 | C38 | H382 | 21.8° | 61.1° |
| C40 | N39 | C38 | H381 | 142.3° | 58.0° |
| N39 | C40 | H401 | H402 | 118.6° | 124.2° |
| N39 | C40 | C41 | H412 | 21.3° | 87.0° |
| N39 | C40 | C41 | H411 | 141.8° | 154.0° |
| C40 | N39 | C52 | H522 | 133.0° | 25.4° |
| C40 | N39 | C52 | H521 | 15.6° | 101.2° |
| C41 | C42 | C43 | C50 | 178.5° | 178.9° |
| C41 | C42 | C43 | C44 | 1.4° | 0.9° |
| C41 | C42 | C43 | C48 | 179.8° | 179.0° |
| C41 | C42 | C50 | C51 | 2.1° | 2.4° |
| C41 | C42 | C50 | N49 | 179.8° | 177.2° |
| C42 | C41 | C40 | H401 | 22.0° | 81.8° |
| C42 | C41 | C40 | H402 | 141.1° | 155.6° |
| C42 | C41 | H412 | H411 | 120.8° | 120.2° |
| C42 | C43 | C44 | C48 | 178.2° | 179.9° |
| C42 | C43 | C44 | C45 | 179.5° | 179.2° |
| C42 | C43 | C48 | C47 | 179.6° | 179.1° |
| C42 | C43 | C48 | N49 | 1.1° | 0.8° |
| C43 | C42 | C50 | C51 | 179.4° | 176.3° |
| C43 | C42 | C50 | N49 | 1.7° | 4.1° |
| C43 | C42 | C41 | H412 | 174.0° | 165.6° |
| C43 | C42 | C41 | H411 | 53.5° | 45.3° |
| C42 | C43 | C44 | H441 | 0.5° | 0.8° |
| C50 | C42 | C43 | C44 | 179.9° | 178.0° |
| C50 | C42 | C43 | C48 | 1.7° | 2.1° |
| C42 | C50 | N49 | C48 | 1.0° | 4.9° |
| C42 | C50 | C51 | N49 | 177.3° | 179.6° |
| C42 | C50 | C51 | C56 | 104.7° | 34.4° |
| C50 | C42 | C41 | H412 | 7.8° | 13.0° |
| C50 | C42 | C41 | H411 | 128.3° | 133.3° |
| C42 | C50 | N49 | H491 | 179.0° | 173.6° |
| C43 | C44 | C45 | H441 | 180.0° | 180.0° |
| C43 | C44 | C45 | C46 | 0.9° | 0.2° |
| C44 | C43 | C48 | C47 | 1.1° | 1.0° |
| C44 | C43 | C48 | N49 | 179.6° | 179.1° |
| C43 | C44 | C45 | H451 | 179.1° | 179.7° |
| C48 | C43 | C44 | C45 | 1.3° | 0.9° |
| C43 | C48 | C47 | C46 | 0.5° | 0.3° |
| C43 | C48 | C47 | N49 | 179.1° | 179.9° |
| C43 | C48 | N49 | C50 | 0.0° | 3.4° |
| C48 | C43 | C44 | H441 | 178.7° | 179.1° |
| C43 | C48 | C47 | H471 | 179.5° | 179.5° |
| C43 | C48 | N49 | H491 | 180.0° | 175.1° |
| C44 | C45 | C46 | H451 | 180.0° | 179.9° |
| C44 | C45 | C46 | C47 | 0.4° | 0.5° |
| C44 | C45 | C46 | BR60 | 179.7° | 179.4° |
| C45 | C46 | C47 | BR60 | 179.9° | 179.9° |
| C45 | C46 | C47 | C48 | 0.1° | 0.4° |
| C46 | C45 | C44 | H441 | 179.1° | 179.8° |
| C45 | C46 | C47 | H471 | 179.9° | 179.8° |
| C46 | C47 | C48 | H471 | 180.0° | 179.8° |
| C46 | C47 | C48 | N49 | 179.6° | 179.8° |
| C47 | C46 | C45 | H451 | 179.6° | 179.6° |
| BR60 | C46 | C47 | C48 | 179.9° | 179.4° |
| BR60 | C46 | C45 | H451 | 0.3° | 0.5° |
| BR60 | C46 | C47 | H471 | 0.1° | 0.3° |
| C47 | C48 | N49 | C50 | 179.2° | 176.5° |
| C47 | C48 | N49 | H491 | 0.8° | 5.0° |
| C48 | N49 | C50 | C51 | 178.7° | 175.5° |
| C48 | N49 | C50 | H491 | 180.0° | 178.5° |
| N49 | C48 | C47 | H471 | 0.3° | 0.4° |
| C50 | C51 | C56 | O57 | 74.2° | 121.1° |
| C50 | C51 | C56 | O58 | 106.9° | 58.8° |
| C50 | C51 | C34 | H342 | 175.6° | 105.8° |
| C50 | C51 | C34 | H341 | 58.6° | 133.9° |
| C51 | C50 | N49 | H491 | 1.3° | 6.0° |
| N49 | C50 | C51 | C56 | 72.6° | 146.1° |
| C51 | C56 | O57 | O58 | 178.9° | 179.9° |
| C51 | C56 | O58 | C59 | 53.1° | 180.0° |
| C56 | C51 | C34 | H342 | 51.4° | 129.4° |
| C56 | C51 | C34 | H341 | 65.6° | 9.2° |
| N39 | C52 | C35 | H351 | 162.8° | 27.4° |
| C52 | N39 | C38 | H382 | 178.2° | 58.6° |
| C52 | N39 | C38 | H381 | 61.3° | 177.6° |
| C52 | N39 | C40 | H401 | 59.8° | 179.8° |
| C52 | N39 | C40 | H402 | 178.9° | 56.6° |
| N39 | C52 | H522 | H521 | 115.9° | 126.5° |
| C54 | C53 | H531 | H532 | 117.3° | 120.0° |
| C53 | C54 | H543 | H541 | 120.0° | 120.1° |
| C53 | C54 | H543 | H542 | 120.0° | 120.0° |
| C53 | C54 | H541 | H542 | 120.0° | 120.0° |
| O57 | C56 | O58 | C59 | 128.0° | 0.1° |
| C56 | O58 | C59 | H592 | 180.0° | 179.9° |
| C56 | O58 | C59 | H593 | 60.0° | 60.0° |
| C56 | O58 | C59 | H591 | 60.0° | 60.0° |
| O58 | C59 | H592 | H593 | 120.0° | 119.9° |
| O58 | C59 | H592 | H591 | 120.0° | 120.0° |
| O58 | C59 | H593 | H591 | 120.0° | 120.1° |
| H102 | C10 | C11 | H112 | 107.0° | 145.0° |
| H102 | C10 | C11 | H111 | 15.6° | 22.6° |
| H101 | C10 | C11 | H112 | 14.3° | 22.4° |
| H101 | C10 | C11 | H111 | 136.9° | 100.0° |
| H202 | C20 | C21 | H211 | 59.3° | 60.0° |
| H202 | C20 | C21 | H213 | 60.7° | 180.0° |
| H202 | C20 | C21 | H212 | 179.3° | 60.1° |
| H201 | C20 | C21 | H211 | 59.3° | 180.0° |
| H201 | C20 | C21 | H213 | 179.3° | 60.0° |
| H201 | C20 | C21 | H212 | 60.7° | 59.9° |
| H211 | C21 | H213 | H212 | 120.0° | 120.0° |
| H223 | C22 | H222 | H221 | 120.0° | 119.9° |
| H262 | C26 | H261 | H263 | 120.0° | 120.0° |
| H061 | C06 | C07 | H071 | 42.4° | 0.3° |
| H071 | C07 | C08 | H082 | 72.7° | 40.6° |
| H071 | C07 | C08 | H081 | 46.2° | 79.7° |
| H112 | C11 | C12 | C02 | 30.9° | 3.5° |
| H111 | C11 | C12 | C02 | 153.5° | 118.9° |
| H191 | C19 | C12 | C02 | 164.4° | 152.6° |
| H301 | C30 | H303 | H302 | 120.0° | 119.9° |
| H333 | C33 | H331 | H332 | 120.0° | 120.0° |
| H342 | C34 | C35 | H351 | 58.8° | 80.0° |
| H341 | C34 | C35 | H351 | 175.9° | 159.3° |
| H351 | C35 | C36 | H362 | 80.1° | 169.7° |
| H351 | C35 | C36 | H361 | 40.0° | 69.3° |
| H351 | C35 | C52 | H522 | 41.5° | 92.0° |
| H351 | C35 | C52 | H521 | 75.9° | 142.0° |
| H401 | C40 | C41 | H412 | 141.7° | 154.3° |
| H401 | C40 | C41 | H411 | 97.7° | 35.4° |
| H402 | C40 | C41 | H412 | 99.2° | 31.8° |
| H402 | C40 | C41 | H411 | 21.3° | 87.2° |
| H441 | C44 | C45 | H451 | 0.9° | 0.3° |
| H531 | C53 | C54 | H543 | 59.1° | 60.0° |
| H531 | C53 | C54 | H541 | 179.1° | 180.0° |
| H531 | C53 | C54 | H542 | 60.9° | 60.0° |
| H532 | C53 | C54 | H543 | 59.1° | 60.0° |
| H532 | C53 | C54 | H541 | 60.9° | 60.0° |
| H532 | C53 | C54 | H542 | 179.1° | 180.0° |
| H543 | C54 | H541 | H542 | 120.0° | 120.0° |
| H592 | C59 | H593 | H591 | 120.0° | 120.0° |
