MRB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C46 | S45 | sing | 1.81Å | 1.83Å | |
| C07 | C05 | sing | 1.53Å | 1.54Å | |
| S45 | C44 | sing | 1.81Å | 1.87Å | |
| C06 | C05 | sing | 1.53Å | 1.54Å | |
| C05 | C08 | sing | 1.53Å | 1.53Å | |
| C05 | C04 | sing | 1.53Å | 1.53Å | |
| C43 | C44 | sing | 1.53Å | 1.54Å | |
| C43 | C42 | sing | 1.53Å | 1.55Å | |
| C29 | O28 | sing | 1.45Å | 1.36Å | |
| C04 | N03 | sing | 1.49Å | 1.48Å | |
| C04 | C09 | sing | 1.51Å | 1.64Å | |
| N03 | C02 | sing | 1.36Å | 1.39Å | |
| C02 | C42 | sing | 1.50Å | 1.57Å | |
| C02 | O01 | doub | 1.21Å | 1.22Å | |
| C42 | N47 | sing | 1.48Å | 1.49Å | |
| O28 | C27 | sing | 1.34Å | 1.39Å | |
| O30 | C27 | doub | 1.21Å | 1.21Å | |
| C27 | C26 | sing | 1.51Å | 1.51Å | |
| C26 | C25 | sing | 1.53Å | 1.55Å | |
| C09 | N57 | sing | 1.38Å | 1.44Å | |
| C09 | N10 | doub | 1.29Å | 1.30Å | |
| N47 | C48 | sing | 1.38Å | 1.41Å | |
| N57 | C56 | sing | 1.49Å | 1.46Å | |
| N32 | C33 | sing | 1.32Å | 1.42Å | Aromatic |
| N32 | C31 | doub | 1.29Å | 1.32Å | Aromatic |
| C11 | N10 | sing | 1.47Å | 1.48Å | |
| C11 | C38 | sing | 1.53Å | 1.59Å | |
| C11 | C12 | sing | 1.51Å | 1.59Å | |
| C39 | C38 | sing | 1.53Å | 1.54Å | |
| C41 | C38 | sing | 1.53Å | 1.53Å | |
| O37 | C12 | doub | 1.21Å | 1.21Å | |
| C25 | C31 | sing | 1.51Å | 1.49Å | |
| C25 | N24 | sing | 1.46Å | 1.49Å | |
| C33 | C34 | doub | 1.34Å | 1.36Å | Aromatic |
| C38 | C40 | sing | 1.53Å | 1.54Å | |
| C12 | N13 | sing | 1.35Å | 1.43Å | |
| C31 | S35 | sing | 1.71Å | 1.76Å | Aromatic |
| C48 | O59 | doub | 1.22Å | 1.22Å | |
| C48 | C49 | sing | 1.49Å | 1.54Å | |
| C52 | C53 | sing | 1.54Å | 1.54Å | |
| C52 | C50 | sing | 1.54Å | 1.53Å | |
| N24 | C23 | sing | 1.35Å | 1.38Å | |
| C53 | N54 | sing | 1.47Å | 1.50Å | |
| C56 | C55 | sing | 1.52Å | 1.60Å | |
| C51 | C50 | sing | 1.53Å | 1.52Å | |
| N54 | C55 | sing | 1.33Å | 1.42Å | |
| N54 | C49 | sing | 1.48Å | 1.48Å | |
| C55 | O58 | doub | 1.21Å | 1.23Å | |
| N13 | C14 | sing | 1.46Å | 1.49Å | |
| C50 | C49 | sing | 1.53Å | 1.55Å | |
| C34 | S35 | sing | 1.76Å | 1.69Å | Aromatic |
| C23 | O36 | doub | 1.21Å | 1.22Å | |
| C23 | C14 | sing | 1.51Å | 1.57Å | |
| C14 | C15 | sing | 1.53Å | 1.59Å | |
| C15 | C16 | sing | 1.51Å | 1.51Å | |
| C15 | C22 | sing | 1.53Å | 1.51Å | |
| C16 | C21 | doub | 1.38Å | 1.40Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.40Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C20 | H201 | sing | 1.08Å | 1.08Å | |
| C21 | H211 | sing | 1.08Å | 1.08Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H223 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C06 | H063 | sing | 1.09Å | 1.10Å | |
| C06 | H062 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C07 | H073 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C08 | H083 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H293 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.08Å | 1.08Å | |
| C34 | H341 | sing | 1.08Å | 1.08Å | |
| C39 | H391 | sing | 1.09Å | 1.10Å | |
| C39 | H393 | sing | 1.09Å | 1.10Å | |
| C39 | H392 | sing | 1.09Å | 1.10Å | |
| C40 | H402 | sing | 1.09Å | 1.10Å | |
| C40 | H401 | sing | 1.09Å | 1.10Å | |
| C40 | H403 | sing | 1.09Å | 1.10Å | |
| C41 | H411 | sing | 1.09Å | 1.10Å | |
| C41 | H412 | sing | 1.09Å | 1.10Å | |
| C41 | H413 | sing | 1.09Å | 1.10Å | |
| C42 | H421 | sing | 1.09Å | 1.10Å | |
| C43 | H432 | sing | 1.09Å | 1.10Å | |
| C43 | H431 | sing | 1.09Å | 1.10Å | |
| C44 | H441 | sing | 1.09Å | 1.10Å | |
| C44 | H442 | sing | 1.09Å | 1.10Å | |
| C46 | H462 | sing | 1.09Å | 1.10Å | |
| C46 | H463 | sing | 1.09Å | 1.10Å | |
| C46 | H461 | sing | 1.09Å | 1.10Å | |
| C49 | H491 | sing | 1.09Å | 1.10Å | |
| C50 | H501 | sing | 1.09Å | 1.10Å | |
| C51 | H511 | sing | 1.09Å | 1.10Å | |
| C51 | H513 | sing | 1.09Å | 1.10Å | |
| C51 | H512 | sing | 1.09Å | 1.10Å | |
| C52 | H522 | sing | 1.09Å | 1.10Å | |
| C52 | H521 | sing | 1.09Å | 1.10Å | |
| C53 | H532 | sing | 1.09Å | 1.10Å | |
| C53 | H531 | sing | 1.09Å | 1.10Å | |
| C56 | H561 | sing | 1.09Å | 1.10Å | |
| C56 | H562 | sing | 1.08Å | 1.10Å | |
| N03 | H031 | sing | 0.97Å | 1.00Å | |
| N13 | H131 | sing | 0.97Å | 1.00Å | |
| N24 | H241 | sing | 0.97Å | 1.00Å | |
| N47 | H471 | sing | 0.98Å | 1.00Å | |
| N57 | H571 | sing | 0.98Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C46 | S45 | C44 | 113.7° | 103.0° |
| S45 | C46 | H462 | 109.5° | 109.5° |
| S45 | C46 | H463 | 109.5° | 109.5° |
| S45 | C46 | H461 | 109.5° | 109.5° |
| C07 | C05 | C06 | 107.6° | 109.4° |
| C07 | C05 | C08 | 109.2° | 109.4° |
| C07 | C05 | C04 | 108.4° | 109.5° |
| C05 | C07 | H072 | 109.5° | 109.5° |
| C05 | C07 | H073 | 109.4° | 109.4° |
| C05 | C07 | H071 | 109.5° | 109.5° |
| S45 | C44 | C43 | 112.2° | 109.4° |
| S45 | C44 | H441 | 108.8° | 109.5° |
| S45 | C44 | H442 | 108.8° | 109.5° |
| C06 | C05 | C08 | 109.2° | 109.4° |
| C06 | C05 | C04 | 112.6° | 109.5° |
| C05 | C06 | H063 | 109.5° | 109.5° |
| C05 | C06 | H062 | 109.4° | 109.5° |
| C05 | C06 | H061 | 109.4° | 109.5° |
| C08 | C05 | C04 | 109.9° | 109.5° |
| C05 | C08 | H083 | 109.5° | 109.5° |
| C05 | C08 | H082 | 109.5° | 109.4° |
| C05 | C08 | H081 | 109.5° | 109.4° |
| C05 | C04 | N03 | 114.3° | 110.3° |
| C05 | C04 | C09 | 118.1° | 110.4° |
| C05 | C04 | H041 | 109.4° | 110.4° |
| C44 | C43 | C42 | 114.8° | 109.4° |
| C44 | C43 | H432 | 108.1° | 109.5° |
| C44 | C43 | H431 | 108.1° | 109.5° |
| C43 | C44 | H441 | 108.8° | 109.5° |
| C43 | C44 | H442 | 108.8° | 109.5° |
| C43 | C42 | C02 | 121.9° | 109.3° |
| C43 | C42 | N47 | 113.6° | 109.4° |
| C43 | C42 | H421 | 106.4° | 108.9° |
| C42 | C43 | H432 | 108.1° | 109.5° |
| C42 | C43 | H431 | 108.2° | 109.5° |
| C29 | O28 | C27 | 116.1° | 117.0° |
| O28 | C29 | H291 | 109.5° | 109.5° |
| O28 | C29 | H293 | 109.5° | 109.5° |
| O28 | C29 | H292 | 109.5° | 109.5° |
| N03 | C04 | C09 | 96.5° | 105.2° |
| C04 | N03 | C02 | 127.1° | 114.1° |
| N03 | C04 | H041 | 109.9° | 110.2° |
| C04 | N03 | H031 | 116.5° | 122.6° |
| C04 | C09 | N57 | 113.9° | 119.7° |
| C04 | C09 | N10 | 122.0° | 119.4° |
| C09 | C04 | H041 | 108.0° | 110.2° |
| N03 | C02 | C42 | 123.0° | 121.7° |
| N03 | C02 | O01 | 120.3° | 119.3° |
| C02 | N03 | H031 | 116.5° | 123.3° |
| C42 | C02 | O01 | 116.7° | 119.0° |
| C02 | C42 | N47 | 100.9° | 110.0° |
| C02 | C42 | H421 | 106.1° | 109.5° |
| C42 | N47 | C48 | 126.3° | 115.9° |
| N47 | C42 | H421 | 107.0° | 109.8° |
| C42 | N47 | H471 | 116.8° | 122.3° |
| O28 | C27 | O30 | 118.8° | 120.0° |
| O28 | C27 | C26 | 114.2° | 120.0° |
| O30 | C27 | C26 | 127.0° | 120.0° |
| C27 | C26 | C25 | 111.4° | 109.4° |
| C27 | C26 | H261 | 109.0° | 109.5° |
| C27 | C26 | H262 | 109.0° | 109.4° |
| C26 | C25 | C31 | 114.0° | 109.4° |
| C26 | C25 | N24 | 106.3° | 109.5° |
| C25 | C26 | H261 | 109.0° | 109.4° |
| C25 | C26 | H262 | 109.0° | 109.5° |
| C26 | C25 | H251 | 107.3° | 109.5° |
| N57 | C09 | N10 | 124.1° | 120.9° |
| C09 | N57 | C56 | 126.5° | 114.4° |
| C09 | N57 | H571 | 116.7° | 123.2° |
| C09 | N10 | C11 | 133.7° | 120.0° |
| N47 | C48 | O59 | 121.0° | 118.1° |
| N47 | C48 | C49 | 118.6° | 120.6° |
| C48 | N47 | H471 | 116.9° | 121.8° |
| N57 | C56 | C55 | 100.3° | 104.1° |
| N57 | C56 | H561 | 111.7° | 110.5° |
| N57 | C56 | H562 | 111.7° | 111.9° |
| C56 | N57 | H571 | 116.8° | 122.3° |
| C33 | N32 | C31 | 109.2° | 117.1° |
| N32 | C33 | C34 | 116.1° | 114.5° |
| N32 | C33 | H331 | 121.9° | 122.8° |
| N32 | C31 | C25 | 126.5° | 124.9° |
| N32 | C31 | S35 | 113.8° | 110.2° |
| N10 | C11 | C38 | 110.0° | 109.5° |
| N10 | C11 | C12 | 111.6° | 109.5° |
| N10 | C11 | H111 | 111.6° | 109.5° |
| C38 | C11 | C12 | 103.3° | 109.5° |
| C11 | C38 | C39 | 109.2° | 109.5° |
| C11 | C38 | C41 | 112.8° | 109.5° |
| C11 | C38 | C40 | 111.5° | 109.5° |
| C38 | C11 | H111 | 110.1° | 109.5° |
| C11 | C12 | O37 | 122.0° | 120.0° |
| C11 | C12 | N13 | 119.0° | 120.0° |
| C12 | C11 | H111 | 110.1° | 109.5° |
| C39 | C38 | C41 | 108.2° | 109.4° |
| C39 | C38 | C40 | 107.6° | 109.4° |
| C38 | C39 | H391 | 109.5° | 109.4° |
| C38 | C39 | H393 | 109.5° | 109.5° |
| C38 | C39 | H392 | 109.5° | 109.4° |
| C41 | C38 | C40 | 107.3° | 109.5° |
| C38 | C41 | H411 | 109.5° | 109.5° |
| C38 | C41 | H412 | 109.5° | 109.5° |
| C38 | C41 | H413 | 109.5° | 109.4° |
| O37 | C12 | N13 | 119.0° | 120.0° |
| C31 | C25 | N24 | 112.8° | 109.5° |
| C25 | C31 | S35 | 119.7° | 124.9° |
| C31 | C25 | H251 | 108.1° | 109.5° |
| C25 | N24 | C23 | 122.7° | 120.0° |
| N24 | C25 | H251 | 108.0° | 109.5° |
| C25 | N24 | H241 | 118.6° | 120.0° |
| C33 | C34 | S35 | 110.3° | 107.9° |
| C34 | C33 | H331 | 122.0° | 122.7° |
| C33 | C34 | H341 | 124.8° | 126.1° |
| C38 | C40 | H402 | 109.5° | 109.4° |
| C38 | C40 | H401 | 109.5° | 109.5° |
| C38 | C40 | H403 | 109.5° | 109.5° |
| C12 | N13 | C14 | 127.7° | 120.0° |
| C12 | N13 | H131 | 116.2° | 120.0° |
| C31 | S35 | C34 | 90.6° | 90.3° |
| O59 | C48 | C49 | 120.4° | 121.3° |
| C48 | C49 | N54 | 101.5° | 110.6° |
| C48 | C49 | C50 | 112.8° | 113.6° |
| C48 | C49 | H491 | 110.9° | 110.1° |
| C53 | C52 | C50 | 105.3° | 106.0° |
| C52 | C53 | N54 | 107.4° | 106.1° |
| C53 | C52 | H522 | 110.5° | 110.0° |
| C53 | C52 | H521 | 110.5° | 110.2° |
| C52 | C53 | H532 | 110.0° | 110.1° |
| C52 | C53 | H531 | 110.0° | 109.8° |
| C52 | C50 | C51 | 107.9° | 110.0° |
| C52 | C50 | C49 | 103.5° | 104.7° |
| C52 | C50 | H501 | 108.9° | 109.5° |
| C50 | C52 | H522 | 110.5° | 110.0° |
| C50 | C52 | H521 | 110.5° | 110.1° |
| N24 | C23 | O36 | 114.3° | 120.0° |
| N24 | C23 | C14 | 125.0° | 120.1° |
| C23 | N24 | H241 | 118.6° | 120.0° |
| C53 | N54 | C55 | 122.7° | 129.1° |
| C53 | N54 | C49 | 107.8° | 106.5° |
| N54 | C53 | H532 | 110.0° | 110.4° |
| N54 | C53 | H531 | 110.0° | 110.1° |
| C56 | C55 | N54 | 125.1° | 123.3° |
| C56 | C55 | O58 | 118.7° | 116.3° |
| C55 | C56 | H561 | 111.7° | 109.6° |
| C55 | C56 | H562 | 111.7° | 110.0° |
| C51 | C50 | C49 | 118.7° | 112.2° |
| C51 | C50 | H501 | 109.0° | 110.0° |
| C50 | C51 | H511 | 109.5° | 109.5° |
| C50 | C51 | H513 | 109.5° | 109.5° |
| C50 | C51 | H512 | 109.4° | 109.4° |
| C55 | N54 | C49 | 129.5° | 124.4° |
| N54 | C55 | O58 | 115.9° | 120.4° |
| N54 | C49 | C50 | 108.8° | 106.6° |
| N54 | C49 | H491 | 111.8° | 107.5° |
| N13 | C14 | C23 | 115.2° | 109.5° |
| N13 | C14 | C15 | 110.3° | 109.5° |
| N13 | C14 | H141 | 107.7° | 109.5° |
| C14 | N13 | H131 | 116.1° | 120.0° |
| C50 | C49 | H491 | 110.7° | 108.3° |
| C49 | C50 | H501 | 108.6° | 110.2° |
| S35 | C34 | H341 | 124.8° | 126.0° |
| O36 | C23 | C14 | 120.6° | 120.0° |
| C23 | C14 | C15 | 109.7° | 109.5° |
| C23 | C14 | H141 | 106.9° | 109.5° |
| C14 | C15 | C16 | 109.7° | 109.4° |
| C14 | C15 | C22 | 113.3° | 109.5° |
| C14 | C15 | H151 | 105.9° | 109.5° |
| C15 | C14 | H141 | 106.7° | 109.4° |
| C16 | C15 | C22 | 113.9° | 109.5° |
| C15 | C16 | C21 | 123.5° | 120.0° |
| C15 | C16 | C17 | 120.7° | 120.0° |
| C16 | C15 | H151 | 106.7° | 109.5° |
| C22 | C15 | H151 | 106.7° | 109.5° |
| C15 | C22 | H222 | 109.5° | 109.5° |
| C15 | C22 | H221 | 109.5° | 109.5° |
| C15 | C22 | H223 | 109.5° | 109.5° |
| C21 | C16 | C17 | 115.7° | 120.0° |
| C16 | C21 | C20 | 122.3° | 120.0° |
| C16 | C21 | H211 | 118.9° | 120.0° |
| C16 | C17 | C18 | 122.3° | 120.0° |
| C16 | C17 | H171 | 118.8° | 119.9° |
| C21 | C20 | C19 | 120.7° | 120.0° |
| C21 | C20 | H201 | 119.6° | 120.0° |
| C20 | C21 | H211 | 118.9° | 120.0° |
| C17 | C18 | C19 | 120.8° | 120.0° |
| C18 | C17 | H171 | 118.9° | 120.1° |
| C17 | C18 | H181 | 119.6° | 119.9° |
| C20 | C19 | C18 | 118.1° | 120.0° |
| C19 | C20 | H201 | 119.6° | 120.0° |
| C20 | C19 | H191 | 120.9° | 120.0° |
| C19 | C18 | H181 | 119.6° | 120.0° |
| C18 | C19 | H191 | 120.9° | 120.0° |
| H222 | C22 | H221 | 109.5° | 109.4° |
| H222 | C22 | H223 | 109.5° | 109.5° |
| H221 | C22 | H223 | 109.4° | 109.5° |
| H261 | C26 | H262 | 109.4° | 109.5° |
| H063 | C06 | H062 | 109.5° | 109.4° |
| H063 | C06 | H061 | 109.5° | 109.4° |
| H062 | C06 | H061 | 109.5° | 109.5° |
| H072 | C07 | H073 | 109.5° | 109.5° |
| H072 | C07 | H071 | 109.4° | 109.5° |
| H073 | C07 | H071 | 109.5° | 109.4° |
| H083 | C08 | H082 | 109.5° | 109.5° |
| H083 | C08 | H081 | 109.5° | 109.5° |
| H082 | C08 | H081 | 109.5° | 109.5° |
| H291 | C29 | H293 | 109.4° | 109.4° |
| H291 | C29 | H292 | 109.4° | 109.4° |
| H293 | C29 | H292 | 109.5° | 109.5° |
| H391 | C39 | H393 | 109.4° | 109.5° |
| H391 | C39 | H392 | 109.5° | 109.5° |
| H393 | C39 | H392 | 109.5° | 109.5° |
| H402 | C40 | H401 | 109.5° | 109.5° |
| H402 | C40 | H403 | 109.5° | 109.5° |
| H401 | C40 | H403 | 109.5° | 109.5° |
| H411 | C41 | H412 | 109.5° | 109.5° |
| H411 | C41 | H413 | 109.4° | 109.4° |
| H412 | C41 | H413 | 109.5° | 109.5° |
| H432 | C43 | H431 | 109.5° | 109.5° |
| H441 | C44 | H442 | 109.5° | 109.5° |
| H462 | C46 | H463 | 109.5° | 109.5° |
| H462 | C46 | H461 | 109.5° | 109.4° |
| H463 | C46 | H461 | 109.5° | 109.4° |
| H511 | C51 | H513 | 109.4° | 109.5° |
| H511 | C51 | H512 | 109.5° | 109.5° |
| H513 | C51 | H512 | 109.5° | 109.5° |
| H522 | C52 | H521 | 109.5° | 110.4° |
| H532 | C53 | H531 | 109.4° | 110.3° |
| H561 | C56 | H562 | 109.4° | 110.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C46 | S45 | C44 | C43 | 28.1° | 180.0° |
| C46 | S45 | C44 | H441 | 148.5° | 60.0° |
| C46 | S45 | C44 | H442 | 92.4° | 60.0° |
| S45 | C46 | H462 | H463 | 120.0° | 120.1° |
| S45 | C46 | H462 | H461 | 120.0° | 120.0° |
| S45 | C46 | H463 | H461 | 120.0° | 120.0° |
| C07 | C05 | C06 | C08 | 118.3° | 119.9° |
| C07 | C05 | C06 | C04 | 119.4° | 120.1° |
| C07 | C05 | C08 | C04 | 118.8° | 120.0° |
| C07 | C05 | C04 | N03 | 76.6° | 67.2° |
| C07 | C05 | C04 | C09 | 171.1° | 176.9° |
| C07 | C05 | C04 | H041 | 47.1° | 54.8° |
| C07 | C05 | C06 | H063 | 180.0° | 176.9° |
| C07 | C05 | C06 | H062 | 60.0° | 57.0° |
| C07 | C05 | C06 | H061 | 60.0° | 63.1° |
| C05 | C07 | H072 | H073 | 120.0° | 120.0° |
| C05 | C07 | H072 | H071 | 120.0° | 120.0° |
| C05 | C07 | H073 | H071 | 120.0° | 119.9° |
| C07 | C05 | C08 | H083 | 180.0° | 159.6° |
| C07 | C05 | C08 | H082 | 60.0° | 39.6° |
| C07 | C05 | C08 | H081 | 60.0° | 80.4° |
| S45 | C44 | C43 | H441 | 120.4° | 120.0° |
| S45 | C44 | C43 | H442 | 120.4° | 120.0° |
| S45 | C44 | C43 | C42 | 155.9° | 180.0° |
| S45 | C44 | C43 | H432 | 83.4° | 60.0° |
| S45 | C44 | C43 | H431 | 35.1° | 60.0° |
| S45 | C44 | H441 | H442 | 118.8° | 120.0° |
| C44 | S45 | C46 | H462 | 180.0° | 180.0° |
| C44 | S45 | C46 | H463 | 60.0° | 60.0° |
| C44 | S45 | C46 | H461 | 60.0° | 60.0° |
| C06 | C05 | C08 | C04 | 123.9° | 120.0° |
| C06 | C05 | C04 | N03 | 42.3° | 172.7° |
| C06 | C05 | C04 | C09 | 70.1° | 56.9° |
| C06 | C05 | C04 | H041 | 166.0° | 65.2° |
| C05 | C06 | H063 | H062 | 120.0° | 119.9° |
| C05 | C06 | H063 | H061 | 120.0° | 120.0° |
| C05 | C06 | H062 | H061 | 119.9° | 120.1° |
| C06 | C05 | C07 | H072 | 180.0° | 59.9° |
| C06 | C05 | C07 | H073 | 60.0° | 60.1° |
| C06 | C05 | C07 | H071 | 60.0° | 180.0° |
| C06 | C05 | C08 | H083 | 62.7° | 39.7° |
| C06 | C05 | C08 | H082 | 177.3° | 80.4° |
| C06 | C05 | C08 | H081 | 57.4° | 159.7° |
| C08 | C05 | C04 | N03 | 164.2° | 52.8° |
| C08 | C05 | C04 | C09 | 51.8° | 63.1° |
| C08 | C05 | C04 | H041 | 72.1° | 174.8° |
| C08 | C05 | C06 | H063 | 61.7° | 63.2° |
| C08 | C05 | C06 | H062 | 58.3° | 176.9° |
| C08 | C05 | C06 | H061 | 178.3° | 56.8° |
| C08 | C05 | C07 | H072 | 61.7° | 60.0° |
| C08 | C05 | C07 | H073 | 178.3° | 180.0° |
| C08 | C05 | C07 | H071 | 58.3° | 60.1° |
| C05 | C08 | H083 | H082 | 120.0° | 120.0° |
| C05 | C08 | H083 | H081 | 120.0° | 120.0° |
| C05 | C08 | H082 | H081 | 120.0° | 119.9° |
| C05 | C04 | N03 | C09 | 124.8° | 119.1° |
| C05 | C04 | N03 | H041 | 123.4° | 122.2° |
| C05 | C04 | C09 | H041 | 124.6° | 122.2° |
| C05 | C04 | N03 | C02 | 156.2° | 175.2° |
| C05 | C04 | C09 | N57 | 71.6° | 59.5° |
| C05 | C04 | C09 | N10 | 111.6° | 120.1° |
| C04 | C05 | C06 | H063 | 60.6° | 56.8° |
| C04 | C05 | C06 | H062 | 179.4° | 63.1° |
| C04 | C05 | C06 | H061 | 59.4° | 176.8° |
| C04 | C05 | C07 | H072 | 58.0° | 180.0° |
| C04 | C05 | C07 | H073 | 62.0° | 59.9° |
| C04 | C05 | C07 | H071 | 178.0° | 59.9° |
| C04 | C05 | C08 | H083 | 61.2° | 80.4° |
| C04 | C05 | C08 | H082 | 58.8° | 159.6° |
| C04 | C05 | C08 | H081 | 178.8° | 39.6° |
| C05 | C04 | N03 | H031 | 23.7° | 4.8° |
| C44 | C43 | C42 | H432 | 120.8° | 120.0° |
| C44 | C43 | C42 | H431 | 120.8° | 120.0° |
| C44 | C43 | C42 | C02 | 177.9° | 173.6° |
| C44 | C43 | C42 | N47 | 61.1° | 65.9° |
| C44 | C43 | C42 | H421 | 56.3° | 54.1° |
| C44 | C43 | H432 | H431 | 117.6° | 120.0° |
| C43 | C44 | H441 | H442 | 118.8° | 120.0° |
| C43 | C42 | C02 | N03 | 52.4° | 70.8° |
| C43 | C42 | C02 | N47 | 126.8° | 120.1° |
| C43 | C42 | C02 | H421 | 121.7° | 119.2° |
| C43 | C42 | C02 | O01 | 130.7° | 108.6° |
| C43 | C42 | N47 | H421 | 117.1° | 119.4° |
| C43 | C42 | N47 | C48 | 118.2° | 164.5° |
| C42 | C43 | H432 | H431 | 117.6° | 120.0° |
| C42 | C43 | C44 | H441 | 35.5° | 60.0° |
| C42 | C43 | C44 | H442 | 83.7° | 60.0° |
| C43 | C42 | N47 | H471 | 61.8° | 15.5° |
| C29 | O28 | C27 | O30 | 37.4° | 0.1° |
| C29 | O28 | C27 | C26 | 143.8° | 180.0° |
| O28 | C29 | H291 | H293 | 120.0° | 120.0° |
| O28 | C29 | H291 | H292 | 120.0° | 120.0° |
| O28 | C29 | H293 | H292 | 120.0° | 120.1° |
| N03 | C04 | C09 | H041 | 113.4° | 118.8° |
| C04 | N03 | C02 | H031 | 180.0° | 180.0° |
| C04 | N03 | C02 | C42 | 174.0° | 172.7° |
| C04 | N03 | C02 | O01 | 2.8° | 7.8° |
| N03 | C04 | C09 | N57 | 50.4° | 59.5° |
| N03 | C04 | C09 | N10 | 126.4° | 120.9° |
| C09 | C04 | N03 | C02 | 79.0° | 65.7° |
| C04 | C09 | N57 | N10 | 176.7° | 179.6° |
| C04 | C09 | N57 | C56 | 173.2° | 163.8° |
| C04 | C09 | N10 | C11 | 4.3° | 9.2° |
| C09 | C04 | N03 | H031 | 101.1° | 114.3° |
| C04 | C09 | N57 | H571 | 6.7° | 16.3° |
| N03 | C02 | C42 | O01 | 176.9° | 179.4° |
| N03 | C02 | C42 | N47 | 74.4° | 49.3° |
| C02 | N03 | C04 | H041 | 32.8° | 53.0° |
| N03 | C02 | C42 | H421 | 174.1° | 170.1° |
| C02 | C42 | N47 | H421 | 110.8° | 120.6° |
| C02 | C42 | N47 | C48 | 109.7° | 75.4° |
| C02 | C42 | C43 | H432 | 57.1° | 66.4° |
| C02 | C42 | C43 | H431 | 61.3° | 53.6° |
| C42 | C02 | N03 | H031 | 6.0° | 7.3° |
| C02 | C42 | N47 | H471 | 70.3° | 104.6° |
| O01 | C02 | C42 | N47 | 102.5° | 131.2° |
| O01 | C02 | C42 | H421 | 9.0° | 10.5° |
| O01 | C02 | N03 | H031 | 177.2° | 172.2° |
| C42 | N47 | C48 | H471 | 180.0° | 180.0° |
| C42 | N47 | C48 | O59 | 1.3° | 178.2° |
| C42 | N47 | C48 | C49 | 177.8° | 0.9° |
| N47 | C42 | C43 | H432 | 178.1° | 54.1° |
| N47 | C42 | C43 | H431 | 59.6° | 174.1° |
| O28 | C27 | O30 | C26 | 178.7° | 179.9° |
| O28 | C27 | C26 | C25 | 89.4° | 179.9° |
| O28 | C27 | C26 | H261 | 150.3° | 60.0° |
| O28 | C27 | C26 | H262 | 30.9° | 60.1° |
| C27 | O28 | C29 | H291 | 180.0° | 180.0° |
| C27 | O28 | C29 | H293 | 60.0° | 60.0° |
| C27 | O28 | C29 | H292 | 60.0° | 60.1° |
| O30 | C27 | C26 | C25 | 89.4° | 0.0° |
| O30 | C27 | C26 | H261 | 30.9° | 119.9° |
| O30 | C27 | C26 | H262 | 150.3° | 120.0° |
| C27 | C26 | C25 | H261 | 120.3° | 120.0° |
| C27 | C26 | C25 | H262 | 120.3° | 120.0° |
| C27 | C26 | C25 | C31 | 157.7° | 175.0° |
| C27 | C26 | C25 | N24 | 77.3° | 65.0° |
| C27 | C26 | H261 | H262 | 119.1° | 120.0° |
| C27 | C26 | C25 | H251 | 38.1° | 55.0° |
| C26 | C25 | C31 | N32 | 5.7° | 74.7° |
| C26 | C25 | C31 | N24 | 121.4° | 120.0° |
| C26 | C25 | C31 | H251 | 119.2° | 120.0° |
| C26 | C25 | N24 | H251 | 114.9° | 120.0° |
| C26 | C25 | C31 | S35 | 174.7° | 105.0° |
| C26 | C25 | N24 | C23 | 118.7° | 155.0° |
| C25 | C26 | H261 | H262 | 119.1° | 120.0° |
| C26 | C25 | N24 | H241 | 61.3° | 25.0° |
| C09 | N57 | C56 | H571 | 180.0° | 179.9° |
| N57 | C09 | N10 | C11 | 179.2° | 170.5° |
| C09 | N57 | C56 | C55 | 86.6° | 107.7° |
| N57 | C09 | C04 | H041 | 163.7° | 178.3° |
| C09 | N57 | C56 | H561 | 31.9° | 134.8° |
| C09 | N57 | C56 | H562 | 154.9° | 11.0° |
| N10 | C09 | N57 | C56 | 3.5° | 16.6° |
| C09 | N10 | C11 | C38 | 131.0° | 127.0° |
| C09 | N10 | C11 | C12 | 115.0° | 113.0° |
| N10 | C09 | C04 | H041 | 13.1° | 2.1° |
| C09 | N10 | C11 | H111 | 8.6° | 7.1° |
| N10 | C09 | N57 | H571 | 176.5° | 163.3° |
| N47 | C48 | O59 | C49 | 179.1° | 179.1° |
| N47 | C48 | C49 | N54 | 33.3° | 134.2° |
| N47 | C48 | C49 | C50 | 83.0° | 106.0° |
| C48 | N47 | C42 | H421 | 1.1° | 45.1° |
| N47 | C48 | C49 | H491 | 152.2° | 15.6° |
| N57 | C56 | C55 | H561 | 118.5° | 118.1° |
| N57 | C56 | C55 | H562 | 118.5° | 120.0° |
| N57 | C56 | C55 | N54 | 93.3° | 98.3° |
| N57 | C56 | C55 | O58 | 79.7° | 80.3° |
| N57 | C56 | H561 | H562 | 124.3° | 124.5° |
| C33 | N32 | C31 | C25 | 179.9° | 180.0° |
| N32 | C33 | C34 | H331 | 180.0° | 179.9° |
| C33 | N32 | C31 | S35 | 0.3° | 0.2° |
| N32 | C33 | C34 | S35 | 0.2° | 0.1° |
| N32 | C33 | C34 | H341 | 179.8° | 179.8° |
| N32 | C31 | C25 | S35 | 179.6° | 179.7° |
| N32 | C31 | C25 | N24 | 115.8° | 45.2° |
| C31 | N32 | C33 | C34 | 0.0° | 0.1° |
| N32 | C31 | S35 | C34 | 0.4° | 0.2° |
| N32 | C31 | C25 | H251 | 124.9° | 165.3° |
| C31 | N32 | C33 | H331 | 180.0° | 179.9° |
| N10 | C11 | C38 | C12 | 119.2° | 120.0° |
| N10 | C11 | C38 | H111 | 123.3° | 120.0° |
| N10 | C11 | C12 | H111 | 124.4° | 120.0° |
| N10 | C11 | C38 | C39 | 53.8° | 55.1° |
| N10 | C11 | C38 | C41 | 174.2° | 175.0° |
| N10 | C11 | C12 | O37 | 160.1° | 15.2° |
| N10 | C11 | C38 | C40 | 64.9° | 64.9° |
| N10 | C11 | C12 | N13 | 21.1° | 164.8° |
| C38 | C11 | C12 | H111 | 117.5° | 120.0° |
| C11 | C38 | C39 | C41 | 123.2° | 120.0° |
| C11 | C38 | C39 | C40 | 121.1° | 120.0° |
| C11 | C38 | C41 | C40 | 123.2° | 120.1° |
| C38 | C11 | C12 | O37 | 81.9° | 104.8° |
| C38 | C11 | C12 | N13 | 96.9° | 75.2° |
| C11 | C38 | C39 | H391 | 180.0° | 53.7° |
| C11 | C38 | C39 | H393 | 60.0° | 173.7° |
| C11 | C38 | C39 | H392 | 60.0° | 66.3° |
| C11 | C38 | C40 | H402 | 180.0° | 60.0° |
| C11 | C38 | C40 | H401 | 60.0° | 180.0° |
| C11 | C38 | C40 | H403 | 60.0° | 59.9° |
| C11 | C38 | C41 | H411 | 180.0° | 48.8° |
| C11 | C38 | C41 | H412 | 60.0° | 168.9° |
| C11 | C38 | C41 | H413 | 60.0° | 71.1° |
| C12 | C11 | C38 | C39 | 173.0° | 175.1° |
| C12 | C11 | C38 | C41 | 66.6° | 65.0° |
| C11 | C12 | O37 | N13 | 178.8° | 180.0° |
| C12 | C11 | C38 | C40 | 54.3° | 55.1° |
| C11 | C12 | N13 | C14 | 177.7° | 175.6° |
| C11 | C12 | N13 | H131 | 2.3° | 4.4° |
| C39 | C38 | C41 | C40 | 115.8° | 119.9° |
| C39 | C38 | C11 | H111 | 69.5° | 64.9° |
| C38 | C39 | H391 | H393 | 120.0° | 120.0° |
| C38 | C39 | H391 | H392 | 120.0° | 119.9° |
| C38 | C39 | H393 | H392 | 120.0° | 120.0° |
| C39 | C38 | C40 | H402 | 60.3° | 180.0° |
| C39 | C38 | C40 | H401 | 59.7° | 60.0° |
| C39 | C38 | C40 | H403 | 179.7° | 60.1° |
| C39 | C38 | C41 | H411 | 59.0° | 71.2° |
| C39 | C38 | C41 | H412 | 179.0° | 48.9° |
| C39 | C38 | C41 | H413 | 61.0° | 168.9° |
| C41 | C38 | C11 | H111 | 50.9° | 55.1° |
| C41 | C38 | C39 | H391 | 56.8° | 173.7° |
| C41 | C38 | C39 | H393 | 63.2° | 66.3° |
| C41 | C38 | C39 | H392 | 176.8° | 53.7° |
| C41 | C38 | C40 | H402 | 55.9° | 60.1° |
| C41 | C38 | C40 | H401 | 175.9° | 59.9° |
| C41 | C38 | C40 | H403 | 64.1° | 180.0° |
| C38 | C41 | H411 | H412 | 120.0° | 120.1° |
| C38 | C41 | H411 | H413 | 120.0° | 119.9° |
| C38 | C41 | H412 | H413 | 120.0° | 120.0° |
| O37 | C12 | N13 | C14 | 1.1° | 4.4° |
| O37 | C12 | C11 | H111 | 35.6° | 135.3° |
| O37 | C12 | N13 | H131 | 178.8° | 175.6° |
| C31 | C25 | N24 | H251 | 119.4° | 120.0° |
| C31 | C25 | N24 | C23 | 115.6° | 85.0° |
| C25 | C31 | S35 | C34 | 180.0° | 180.0° |
| C31 | C25 | C26 | H261 | 82.0° | 55.0° |
| C31 | C25 | C26 | H262 | 37.4° | 65.0° |
| C31 | C25 | N24 | H241 | 64.4° | 94.9° |
| N24 | C25 | C31 | S35 | 63.9° | 135.0° |
| C25 | N24 | C23 | H241 | 180.0° | 180.0° |
| C25 | N24 | C23 | O36 | 0.8° | 5.2° |
| C25 | N24 | C23 | C14 | 179.5° | 174.9° |
| N24 | C25 | C26 | H261 | 43.0° | 175.0° |
| N24 | C25 | C26 | H262 | 162.4° | 55.0° |
| C33 | C34 | S35 | C31 | 0.3° | 0.2° |
| C33 | C34 | S35 | H341 | 180.0° | 179.9° |
| C40 | C38 | C11 | H111 | 171.8° | 175.1° |
| C40 | C38 | C39 | H391 | 58.9° | 66.3° |
| C40 | C38 | C39 | H393 | 178.9° | 53.7° |
| C40 | C38 | C39 | H392 | 61.1° | 173.7° |
| C38 | C40 | H402 | H401 | 120.0° | 120.0° |
| C38 | C40 | H402 | H403 | 120.0° | 120.0° |
| C38 | C40 | H401 | H403 | 120.0° | 120.0° |
| C40 | C38 | C41 | H411 | 56.8° | 168.9° |
| C40 | C38 | C41 | H412 | 63.2° | 71.0° |
| C40 | C38 | C41 | H413 | 176.8° | 49.0° |
| C12 | N13 | C14 | H131 | 180.0° | 180.0° |
| C12 | N13 | C14 | C23 | 72.4° | 126.4° |
| C12 | N13 | C14 | C15 | 162.8° | 113.6° |
| N13 | C12 | C11 | H111 | 145.6° | 44.7° |
| C12 | N13 | C14 | H141 | 46.7° | 6.4° |
| S35 | C31 | C25 | H251 | 55.5° | 15.0° |
| C31 | S35 | C34 | H341 | 179.7° | 179.8° |
| O59 | C48 | C49 | N54 | 145.8° | 44.8° |
| O59 | C48 | C49 | C50 | 98.0° | 75.0° |
| O59 | C48 | C49 | H491 | 26.9° | 163.4° |
| O59 | C48 | N47 | H471 | 178.7° | 1.8° |
| C48 | C49 | C50 | C52 | 89.4° | 142.9° |
| C48 | C49 | N54 | C53 | 110.5° | 156.2° |
| C48 | C49 | C50 | C51 | 29.9° | 23.6° |
| C48 | C49 | N54 | C55 | 67.6° | 25.2° |
| C48 | C49 | N54 | C50 | 119.1° | 124.0° |
| C48 | C49 | N54 | H491 | 118.2° | 120.2° |
| C48 | C49 | C50 | H491 | 124.9° | 122.6° |
| C48 | C49 | C50 | H501 | 155.0° | 99.4° |
| C49 | C48 | N47 | H471 | 2.2° | 179.1° |
| C53 | C52 | C50 | H522 | 119.3° | 118.9° |
| C53 | C52 | C50 | H521 | 119.4° | 119.1° |
| C52 | C53 | N54 | H532 | 119.7° | 119.2° |
| C52 | C53 | N54 | H531 | 119.7° | 118.8° |
| C53 | C52 | C50 | C51 | 153.4° | 118.2° |
| C52 | C53 | N54 | C55 | 169.5° | 151.3° |
| C52 | C53 | N54 | C49 | 8.8° | 30.2° |
| C53 | C52 | C50 | C49 | 26.9° | 2.6° |
| C53 | C52 | C50 | H501 | 88.5° | 120.8° |
| C53 | C52 | H522 | H521 | 122.0° | 121.8° |
| C52 | C53 | H532 | H531 | 121.0° | 121.3° |
| C50 | C52 | C53 | N54 | 22.7° | 16.6° |
| C52 | C50 | C51 | C49 | 117.0° | 116.2° |
| C52 | C50 | C51 | H501 | 118.0° | 120.7° |
| C52 | C50 | C49 | N54 | 22.4° | 20.9° |
| C52 | C50 | C49 | H501 | 115.5° | 117.7° |
| C52 | C50 | C49 | H491 | 145.7° | 94.4° |
| C52 | C50 | C51 | H511 | 180.0° | 176.2° |
| C52 | C50 | C51 | H513 | 60.0° | 63.8° |
| C52 | C50 | C51 | H512 | 60.0° | 56.2° |
| C50 | C52 | H522 | H521 | 121.9° | 121.7° |
| C50 | C52 | C53 | H532 | 142.4° | 136.0° |
| C50 | C52 | C53 | H531 | 97.0° | 102.4° |
| N24 | C23 | C14 | N13 | 31.6° | 158.3° |
| N24 | C23 | O36 | C14 | 179.7° | 180.0° |
| N24 | C23 | C14 | C15 | 93.4° | 81.7° |
| N24 | C23 | C14 | H141 | 151.2° | 38.3° |
| C23 | N24 | C25 | H251 | 3.8° | 35.0° |
| C53 | N54 | C55 | C56 | 3.4° | 68.1° |
| C53 | N54 | C55 | C49 | 177.8° | 178.3° |
| C53 | N54 | C55 | O58 | 176.6° | 113.4° |
| C53 | N54 | C49 | C50 | 8.6° | 32.2° |
| C53 | N54 | C49 | H491 | 131.3° | 83.7° |
| N54 | C53 | C52 | H522 | 142.1° | 102.4° |
| N54 | C53 | C52 | H521 | 96.6° | 135.6° |
| N54 | C53 | H532 | H531 | 120.9° | 121.9° |
| C56 | C55 | N54 | O58 | 173.2° | 178.5° |
| C56 | C55 | N54 | C49 | 174.4° | 110.3° |
| C55 | C56 | H561 | H562 | 124.3° | 121.4° |
| C55 | C56 | N57 | H571 | 93.4° | 72.4° |
| C51 | C50 | C49 | N54 | 141.7° | 98.5° |
| C51 | C50 | C49 | H501 | 125.1° | 122.9° |
| C51 | C50 | C49 | H491 | 95.0° | 146.2° |
| C50 | C51 | H511 | H513 | 120.0° | 120.0° |
| C50 | C51 | H511 | H512 | 120.0° | 119.9° |
| C50 | C51 | H513 | H512 | 120.0° | 120.0° |
| C51 | C50 | C52 | H522 | 87.3° | 0.8° |
| C51 | C50 | C52 | H521 | 34.0° | 122.7° |
| C55 | N54 | C49 | C50 | 173.3° | 149.1° |
| C55 | N54 | C49 | H491 | 50.7° | 95.0° |
| C55 | N54 | C53 | H532 | 49.7° | 32.0° |
| C55 | N54 | C53 | H531 | 70.8° | 90.0° |
| N54 | C55 | C56 | H561 | 148.2° | 143.6° |
| N54 | C55 | C56 | H562 | 25.2° | 21.7° |
| C49 | N54 | C55 | O58 | 1.2° | 68.3° |
| N54 | C49 | C50 | H491 | 123.3° | 115.3° |
| N54 | C49 | C50 | H501 | 93.2° | 138.6° |
| C49 | N54 | C53 | H532 | 128.5° | 149.4° |
| C49 | N54 | C53 | H531 | 110.9° | 88.6° |
| O58 | C55 | C56 | H561 | 38.8° | 37.8° |
| O58 | C55 | C56 | H562 | 161.8° | 159.7° |
| N13 | C14 | C23 | O36 | 148.0° | 21.6° |
| N13 | C14 | C23 | C15 | 125.1° | 120.0° |
| N13 | C14 | C23 | H141 | 119.6° | 120.1° |
| N13 | C14 | C15 | H141 | 116.7° | 120.0° |
| N13 | C14 | C15 | C16 | 62.7° | 59.4° |
| N13 | C14 | C15 | C22 | 168.7° | 60.6° |
| N13 | C14 | C15 | H151 | 52.1° | 179.3° |
| C49 | C50 | C51 | H511 | 63.0° | 60.0° |
| C49 | C50 | C51 | H513 | 177.1° | 180.0° |
| C49 | C50 | C51 | H512 | 57.0° | 60.0° |
| C49 | C50 | C52 | H522 | 146.2° | 121.6° |
| C49 | C50 | C52 | H521 | 92.5° | 116.5° |
| S35 | C34 | C33 | H331 | 179.7° | 180.0° |
| O36 | C23 | C14 | C15 | 86.9° | 98.4° |
| O36 | C23 | C14 | H141 | 28.4° | 141.7° |
| O36 | C23 | N24 | H241 | 179.2° | 174.8° |
| C23 | C14 | C15 | H141 | 115.4° | 120.0° |
| C23 | C14 | C15 | C16 | 169.4° | 60.7° |
| C23 | C14 | C15 | C22 | 40.9° | 179.3° |
| C23 | C14 | C15 | H151 | 75.8° | 59.3° |
| C23 | C14 | N13 | H131 | 107.6° | 53.6° |
| C14 | C23 | N24 | H241 | 0.5° | 5.2° |
| C14 | C15 | C16 | C22 | 128.2° | 120.0° |
| C14 | C15 | C16 | H151 | 114.3° | 120.0° |
| C14 | C15 | C22 | H151 | 116.2° | 120.0° |
| C14 | C15 | C16 | C21 | 110.8° | 110.2° |
| C14 | C15 | C16 | C17 | 66.6° | 69.8° |
| C14 | C15 | C22 | H222 | 180.0° | 172.8° |
| C14 | C15 | C22 | H221 | 60.0° | 52.8° |
| C14 | C15 | C22 | H223 | 60.0° | 67.2° |
| C15 | C14 | N13 | H131 | 17.2° | 66.4° |
| C16 | C15 | C22 | H151 | 117.5° | 120.0° |
| C15 | C16 | C21 | C17 | 177.5° | 180.0° |
| C15 | C16 | C21 | C20 | 179.3° | 179.4° |
| C15 | C16 | C17 | C18 | 179.4° | 180.0° |
| C15 | C16 | C17 | H171 | 0.6° | 0.2° |
| C15 | C16 | C21 | H211 | 0.7° | 0.3° |
| C16 | C15 | C22 | H222 | 53.7° | 67.2° |
| C16 | C15 | C22 | H221 | 173.7° | 172.8° |
| C16 | C15 | C22 | H223 | 66.3° | 52.8° |
| C16 | C15 | C14 | H141 | 54.0° | 179.3° |
| C22 | C15 | C16 | C21 | 121.0° | 129.8° |
| C22 | C15 | C16 | C17 | 61.6° | 50.2° |
| C15 | C22 | H222 | H221 | 120.0° | 120.0° |
| C15 | C22 | H222 | H223 | 120.0° | 120.1° |
| C15 | C22 | H221 | H223 | 120.0° | 120.1° |
| C22 | C15 | C14 | H141 | 74.5° | 59.4° |
| C16 | C21 | C20 | H211 | 180.0° | 179.1° |
| C21 | C16 | C17 | C18 | 1.8° | 0.0° |
| C16 | C21 | C20 | C19 | 1.0° | 0.9° |
| C21 | C16 | C15 | H151 | 3.5° | 9.8° |
| C21 | C16 | C17 | H171 | 178.2° | 179.8° |
| C16 | C21 | C20 | H201 | 179.0° | 179.7° |
| C17 | C16 | C21 | C20 | 1.8° | 0.6° |
| C16 | C17 | C18 | H171 | 180.0° | 179.8° |
| C16 | C17 | C18 | C19 | 1.0° | 0.2° |
| C17 | C16 | C15 | H151 | 179.1° | 170.2° |
| C17 | C16 | C21 | H211 | 178.2° | 179.7° |
| C16 | C17 | C18 | H181 | 179.0° | 179.7° |
| C21 | C20 | C19 | H201 | 180.0° | 179.4° |
| C21 | C20 | C19 | C18 | 0.0° | 0.6° |
| C21 | C20 | C19 | H191 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 0.0° | 0.0° |
| C17 | C18 | C19 | H181 | 180.0° | 179.9° |
| C17 | C18 | C19 | H191 | 180.0° | 179.4° |
| C20 | C19 | C18 | H191 | 180.0° | 179.4° |
| C19 | C20 | C21 | H211 | 179.1° | 180.0° |
| C20 | C19 | C18 | H181 | 180.0° | 180.0° |
| C19 | C18 | C17 | H171 | 179.0° | 180.0° |
| C18 | C19 | C20 | H201 | 180.0° | 180.0° |
| H151 | C15 | C22 | H222 | 63.8° | 52.7° |
| H151 | C15 | C22 | H221 | 56.2° | 67.2° |
| H151 | C15 | C22 | H223 | 176.2° | 172.8° |
| H151 | C15 | C14 | H141 | 168.8° | 60.7° |
| H171 | C17 | C18 | H181 | 1.0° | 0.1° |
| H201 | C20 | C21 | H211 | 0.9° | 0.6° |
| H201 | C20 | C19 | H191 | 0.0° | 0.6° |
| H222 | C22 | H221 | H223 | 120.0° | 120.0° |
| H261 | C26 | C25 | H251 | 158.4° | 65.0° |
| H262 | C26 | C25 | H251 | 82.2° | 175.0° |
| H041 | C04 | N03 | H031 | 147.2° | 127.0° |
| H063 | C06 | H062 | H061 | 120.0° | 120.0° |
| H072 | C07 | H073 | H071 | 120.0° | 120.0° |
| H083 | C08 | H082 | H081 | 120.0° | 120.1° |
| H141 | C14 | N13 | H131 | 133.3° | 173.7° |
| H181 | C18 | C19 | H191 | 0.0° | 0.6° |
| H251 | C25 | N24 | H241 | 176.2° | 145.0° |
| H291 | C29 | H293 | H292 | 120.0° | 119.9° |
| H331 | C33 | C34 | H341 | 0.3° | 0.1° |
| H391 | C39 | H393 | H392 | 120.0° | 120.0° |
| H402 | C40 | H401 | H403 | 120.0° | 120.0° |
| H411 | C41 | H412 | H413 | 120.0° | 120.0° |
| H421 | C42 | C43 | H432 | 64.5° | 174.0° |
| H421 | C42 | C43 | H431 | 177.1° | 65.9° |
| H421 | C42 | N47 | H471 | 178.9° | 134.9° |
| H432 | C43 | C44 | H441 | 156.2° | 180.0° |
| H432 | C43 | C44 | H442 | 37.1° | 60.0° |
| H431 | C43 | C44 | H441 | 85.3° | 60.0° |
| H431 | C43 | C44 | H442 | 155.5° | 180.0° |
| H462 | C46 | H463 | H461 | 120.0° | 119.9° |
| H491 | C49 | C50 | H501 | 30.1° | 23.3° |
| H501 | C50 | C51 | H511 | 62.0° | 63.1° |
| H501 | C50 | C51 | H513 | 58.0° | 56.9° |
| H501 | C50 | C51 | H512 | 178.0° | 176.9° |
| H501 | C50 | C52 | H522 | 30.9° | 120.2° |
| H501 | C50 | C52 | H521 | 152.2° | 1.7° |
| H511 | C51 | H513 | H512 | 120.0° | 120.0° |
| H522 | C52 | C53 | H532 | 98.2° | 17.1° |
| H522 | C52 | C53 | H531 | 22.4° | 138.6° |
| H521 | C52 | C53 | H532 | 23.1° | 104.9° |
| H521 | C52 | C53 | H531 | 143.7° | 16.6° |
| H561 | C56 | N57 | H571 | 148.1° | 45.1° |
| H562 | C56 | N57 | H571 | 25.1° | 168.9° |
