MQH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C08 | C05 | sing | 1.53Å | 1.59Å | |
| C44 | C43 | sing | 1.53Å | 1.54Å | |
| C07 | C05 | sing | 1.53Å | 1.54Å | |
| C05 | C06 | sing | 1.53Å | 1.50Å | |
| C05 | C04 | sing | 1.53Å | 1.62Å | |
| C43 | C45 | sing | 1.53Å | 1.53Å | |
| C43 | C42 | sing | 1.53Å | 1.52Å | |
| N03 | C04 | sing | 1.49Å | 1.39Å | |
| N03 | C02 | sing | 1.36Å | 1.38Å | |
| C04 | C09 | sing | 1.51Å | 1.68Å | |
| O30 | C27 | doub | 1.21Å | 1.23Å | |
| C02 | C42 | sing | 1.50Å | 1.54Å | |
| C02 | O01 | doub | 1.22Å | 1.24Å | |
| C42 | N46 | sing | 1.49Å | 1.51Å | |
| C27 | C26 | sing | 1.51Å | 1.54Å | |
| C27 | O28 | sing | 1.34Å | 1.39Å | |
| C29 | O28 | sing | 1.45Å | 1.43Å | |
| C26 | C25 | sing | 1.53Å | 1.57Å | |
| C09 | N56 | sing | 1.38Å | 1.46Å | |
| C09 | N10 | doub | 1.29Å | 1.26Å | |
| N46 | C47 | sing | 1.38Å | 1.38Å | |
| N56 | C55 | sing | 1.49Å | 1.49Å | |
| C11 | N10 | sing | 1.46Å | 1.43Å | |
| C11 | C38 | sing | 1.53Å | 1.52Å | |
| C11 | C12 | sing | 1.51Å | 1.63Å | |
| C39 | C38 | sing | 1.53Å | 1.48Å | |
| C40 | C38 | sing | 1.53Å | 1.55Å | |
| N32 | C31 | doub | 1.29Å | 1.32Å | Aromatic |
| N32 | C33 | sing | 1.32Å | 1.42Å | Aromatic |
| C25 | C31 | sing | 1.51Å | 1.53Å | |
| C25 | N24 | sing | 1.46Å | 1.54Å | |
| O37 | C12 | doub | 1.21Å | 1.23Å | |
| C38 | C41 | sing | 1.53Å | 1.51Å | |
| C12 | N13 | sing | 1.35Å | 1.39Å | |
| C47 | O58 | doub | 1.22Å | 1.22Å | |
| C47 | C48 | sing | 1.49Å | 1.57Å | |
| C31 | S35 | sing | 1.71Å | 1.77Å | Aromatic |
| N24 | C23 | sing | 1.35Å | 1.36Å | |
| C51 | C52 | sing | 1.54Å | 1.50Å | |
| C51 | C49 | sing | 1.54Å | 1.51Å | |
| C33 | C34 | doub | 1.34Å | 1.35Å | Aromatic |
| C52 | N53 | sing | 1.47Å | 1.49Å | |
| C55 | C54 | sing | 1.52Å | 1.44Å | |
| C50 | C49 | sing | 1.53Å | 1.51Å | |
| N53 | C54 | sing | 1.33Å | 1.40Å | |
| N53 | C48 | sing | 1.47Å | 1.51Å | |
| C54 | O57 | doub | 1.20Å | 1.25Å | |
| N13 | C14 | sing | 1.47Å | 1.48Å | |
| C23 | O36 | doub | 1.21Å | 1.26Å | |
| C23 | C14 | sing | 1.51Å | 1.45Å | |
| C49 | C48 | sing | 1.53Å | 1.53Å | |
| C34 | S35 | sing | 1.76Å | 1.70Å | Aromatic |
| C14 | C15 | sing | 1.53Å | 1.64Å | |
| C15 | C16 | sing | 1.51Å | 1.51Å | |
| C15 | C22 | sing | 1.53Å | 1.52Å | |
| C16 | C17 | doub | 1.38Å | 1.42Å | Aromatic |
| C16 | C21 | sing | 1.38Å | 1.41Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
| C21 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | 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 | 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 | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C06 | H063 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C06 | H062 | 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 | H081 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | 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 | H292 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H293 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.08Å | 1.08Å | |
| C34 | H341 | sing | 1.08Å | 1.08Å | |
| C39 | H392 | sing | 1.09Å | 1.10Å | |
| C39 | H391 | sing | 1.09Å | 1.10Å | |
| C39 | H393 | sing | 1.09Å | 1.10Å | |
| C40 | H401 | sing | 1.09Å | 1.10Å | |
| C40 | H403 | sing | 1.09Å | 1.10Å | |
| C40 | H402 | sing | 1.09Å | 1.10Å | |
| C41 | H412 | sing | 1.09Å | 1.10Å | |
| C41 | H413 | sing | 1.09Å | 1.10Å | |
| C41 | H411 | sing | 1.09Å | 1.10Å | |
| C42 | H421 | 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 | |
| C44 | H443 | sing | 1.09Å | 1.10Å | |
| C45 | H451 | sing | 1.09Å | 1.10Å | |
| C45 | H452 | sing | 1.09Å | 1.10Å | |
| C45 | H453 | sing | 1.09Å | 1.10Å | |
| C48 | H481 | sing | 1.09Å | 1.10Å | |
| C49 | H491 | sing | 1.09Å | 1.10Å | |
| C50 | H501 | sing | 1.09Å | 1.10Å | |
| C50 | H503 | sing | 1.09Å | 1.10Å | |
| C50 | H502 | sing | 1.09Å | 1.10Å | |
| C51 | H512 | sing | 1.09Å | 1.10Å | |
| C51 | H511 | sing | 1.09Å | 1.10Å | |
| C52 | H521 | sing | 1.09Å | 1.10Å | |
| C52 | H522 | sing | 1.09Å | 1.10Å | |
| C55 | H552 | sing | 1.09Å | 1.10Å | |
| C55 | H551 | 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 | |
| N46 | H461 | sing | 0.98Å | 1.00Å | |
| N56 | H561 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C08 | C05 | C07 | 111.4° | 109.5° |
| C08 | C05 | C06 | 108.2° | 109.5° |
| C08 | C05 | C04 | 105.9° | 109.5° |
| C05 | C08 | H083 | 109.5° | 109.5° |
| C05 | C08 | H081 | 109.4° | 109.5° |
| C05 | C08 | H082 | 109.5° | 109.5° |
| C44 | C43 | C45 | 112.9° | 109.5° |
| C44 | C43 | C42 | 108.1° | 109.5° |
| C44 | C43 | H431 | 107.3° | 109.5° |
| C43 | C44 | H441 | 109.5° | 109.4° |
| C43 | C44 | H442 | 109.5° | 109.4° |
| C43 | C44 | H443 | 109.5° | 109.5° |
| C07 | C05 | C06 | 108.4° | 109.5° |
| C07 | C05 | C04 | 109.4° | 109.5° |
| C05 | C07 | H072 | 109.5° | 109.5° |
| C05 | C07 | H073 | 109.5° | 109.4° |
| C05 | C07 | H071 | 109.5° | 109.5° |
| C06 | C05 | C04 | 113.5° | 109.5° |
| C05 | C06 | H063 | 109.5° | 109.5° |
| C05 | C06 | H061 | 109.5° | 109.5° |
| C05 | C06 | H062 | 109.5° | 109.4° |
| C05 | C04 | N03 | 115.4° | 110.2° |
| C05 | C04 | C09 | 117.7° | 110.2° |
| C05 | C04 | H041 | 106.5° | 110.4° |
| C45 | C43 | C42 | 113.3° | 109.5° |
| C45 | C43 | H431 | 107.4° | 109.5° |
| C43 | C45 | H451 | 109.5° | 109.4° |
| C43 | C45 | H452 | 109.5° | 109.5° |
| C43 | C45 | H453 | 109.5° | 109.5° |
| C43 | C42 | C02 | 112.4° | 109.3° |
| C43 | C42 | N46 | 116.9° | 109.4° |
| C43 | C42 | H421 | 109.5° | 108.8° |
| C42 | C43 | H431 | 107.5° | 109.5° |
| C04 | N03 | C02 | 122.1° | 114.4° |
| N03 | C04 | C09 | 101.4° | 105.3° |
| N03 | C04 | H041 | 109.4° | 110.4° |
| C04 | N03 | H031 | 119.0° | 122.6° |
| N03 | C02 | C42 | 120.3° | 121.8° |
| N03 | C02 | O01 | 122.2° | 119.3° |
| C02 | N03 | H031 | 118.9° | 123.0° |
| C04 | C09 | N56 | 106.1° | 119.5° |
| C04 | C09 | N10 | 125.5° | 119.3° |
| C09 | C04 | H041 | 105.9° | 110.3° |
| O30 | C27 | C26 | 123.9° | 120.0° |
| O30 | C27 | O28 | 117.6° | 120.0° |
| C42 | C02 | O01 | 117.5° | 118.9° |
| C02 | C42 | N46 | 98.6° | 110.1° |
| C02 | C42 | H421 | 109.2° | 109.5° |
| C42 | N46 | C47 | 125.4° | 115.8° |
| N46 | C42 | H421 | 109.7° | 109.7° |
| C42 | N46 | H461 | 117.3° | 122.3° |
| C26 | C27 | O28 | 118.5° | 120.0° |
| C27 | C26 | C25 | 109.0° | 109.5° |
| C27 | C26 | H262 | 109.6° | 109.4° |
| C27 | C26 | H261 | 109.6° | 109.5° |
| C27 | O28 | C29 | 119.2° | 117.0° |
| O28 | C29 | H292 | 109.5° | 109.5° |
| O28 | C29 | H291 | 109.5° | 109.5° |
| O28 | C29 | H293 | 109.5° | 109.5° |
| C26 | C25 | C31 | 121.0° | 109.4° |
| C26 | C25 | N24 | 108.7° | 109.5° |
| C25 | C26 | H262 | 109.6° | 109.5° |
| C25 | C26 | H261 | 109.6° | 109.5° |
| C26 | C25 | H251 | 105.9° | 109.5° |
| N56 | C09 | N10 | 128.4° | 121.2° |
| C09 | N56 | C55 | 119.8° | 114.5° |
| C09 | N56 | H561 | 120.1° | 123.1° |
| C09 | N10 | C11 | 133.9° | 120.0° |
| N46 | C47 | O58 | 119.0° | 118.3° |
| N46 | C47 | C48 | 118.2° | 120.5° |
| C47 | N46 | H461 | 117.3° | 121.8° |
| N56 | C55 | C54 | 96.1° | 104.1° |
| N56 | C55 | H552 | 112.7° | 110.5° |
| N56 | C55 | H551 | 112.7° | 112.0° |
| C55 | N56 | H561 | 120.1° | 122.4° |
| N10 | C11 | C38 | 114.4° | 109.5° |
| N10 | C11 | C12 | 103.8° | 109.5° |
| N10 | C11 | H111 | 111.9° | 109.5° |
| C38 | C11 | C12 | 107.0° | 109.5° |
| C11 | C38 | C39 | 109.0° | 109.5° |
| C11 | C38 | C40 | 112.8° | 109.5° |
| C11 | C38 | C41 | 110.0° | 109.5° |
| C38 | C11 | H111 | 110.4° | 109.4° |
| C11 | C12 | O37 | 120.7° | 120.0° |
| C11 | C12 | N13 | 126.5° | 120.0° |
| C12 | C11 | H111 | 109.0° | 109.4° |
| C39 | C38 | C40 | 107.3° | 109.4° |
| C39 | C38 | C41 | 108.4° | 109.5° |
| C38 | C39 | H392 | 109.5° | 109.5° |
| C38 | C39 | H391 | 109.5° | 109.5° |
| C38 | C39 | H393 | 109.5° | 109.5° |
| C40 | C38 | C41 | 109.2° | 109.5° |
| C38 | C40 | H401 | 109.5° | 109.4° |
| C38 | C40 | H403 | 109.5° | 109.5° |
| C38 | C40 | H402 | 109.5° | 109.5° |
| C31 | N32 | C33 | 110.3° | 117.1° |
| N32 | C31 | C25 | 127.5° | 124.9° |
| N32 | C31 | S35 | 112.0° | 110.2° |
| N32 | C33 | C34 | 116.7° | 114.5° |
| N32 | C33 | H331 | 121.6° | 122.7° |
| C31 | C25 | N24 | 107.7° | 109.5° |
| C25 | C31 | S35 | 120.4° | 124.9° |
| C31 | C25 | H251 | 106.3° | 109.4° |
| C25 | N24 | C23 | 119.7° | 120.0° |
| N24 | C25 | H251 | 106.2° | 109.5° |
| C25 | N24 | H241 | 120.2° | 120.0° |
| O37 | C12 | N13 | 112.6° | 120.0° |
| C38 | C41 | H412 | 109.5° | 109.5° |
| C38 | C41 | H413 | 109.5° | 109.5° |
| C38 | C41 | H411 | 109.5° | 109.5° |
| C12 | N13 | C14 | 125.3° | 120.0° |
| C12 | N13 | H131 | 117.4° | 120.0° |
| O58 | C47 | C48 | 122.8° | 121.1° |
| C47 | C48 | N53 | 103.0° | 110.7° |
| C47 | C48 | C49 | 114.9° | 113.1° |
| C47 | C48 | H481 | 111.5° | 110.1° |
| C31 | S35 | C34 | 91.4° | 90.3° |
| N24 | C23 | O36 | 118.5° | 120.0° |
| N24 | C23 | C14 | 124.8° | 120.0° |
| C23 | N24 | H241 | 120.1° | 119.9° |
| C52 | C51 | C49 | 105.5° | 106.0° |
| C51 | C52 | N53 | 104.5° | 106.3° |
| C52 | C51 | H512 | 110.5° | 110.0° |
| C52 | C51 | H511 | 110.5° | 110.1° |
| C51 | C52 | H521 | 110.7° | 110.1° |
| C51 | C52 | H522 | 110.7° | 109.9° |
| C51 | C49 | C50 | 111.3° | 110.1° |
| C51 | C49 | C48 | 106.5° | 104.7° |
| C51 | C49 | H491 | 109.3° | 109.7° |
| C49 | C51 | H512 | 110.5° | 110.1° |
| C49 | C51 | H511 | 110.5° | 110.0° |
| C33 | C34 | S35 | 109.6° | 107.9° |
| C34 | C33 | H331 | 121.7° | 122.8° |
| C33 | C34 | H341 | 125.2° | 126.0° |
| C52 | N53 | C54 | 128.2° | 128.9° |
| C52 | N53 | C48 | 111.3° | 106.7° |
| N53 | C52 | H521 | 110.7° | 110.3° |
| N53 | C52 | H522 | 110.7° | 110.1° |
| C55 | C54 | N53 | 121.4° | 123.0° |
| C55 | C54 | O57 | 119.5° | 116.5° |
| C54 | C55 | H552 | 112.7° | 109.5° |
| C54 | C55 | H551 | 112.7° | 109.8° |
| C50 | C49 | C48 | 111.4° | 111.9° |
| C50 | C49 | H491 | 109.3° | 110.1° |
| C49 | C50 | H501 | 109.5° | 109.5° |
| C49 | C50 | H503 | 109.5° | 109.5° |
| C49 | C50 | H502 | 109.5° | 109.4° |
| C54 | N53 | C48 | 120.5° | 124.3° |
| N53 | C54 | O57 | 119.0° | 120.5° |
| N53 | C48 | C49 | 102.5° | 106.7° |
| N53 | C48 | H481 | 112.3° | 107.7° |
| N13 | C14 | C23 | 118.3° | 109.5° |
| N13 | C14 | C15 | 106.0° | 109.5° |
| N13 | C14 | H141 | 106.3° | 109.5° |
| C14 | N13 | H131 | 117.3° | 120.0° |
| O36 | C23 | C14 | 116.6° | 120.0° |
| C23 | C14 | C15 | 113.9° | 109.4° |
| C23 | C14 | H141 | 106.6° | 109.5° |
| C49 | C48 | H481 | 112.0° | 108.3° |
| C48 | C49 | H491 | 109.0° | 110.2° |
| S35 | C34 | H341 | 125.2° | 126.0° |
| C14 | C15 | C16 | 110.8° | 109.5° |
| C14 | C15 | C22 | 110.0° | 109.4° |
| C14 | C15 | H151 | 105.9° | 109.5° |
| C15 | C14 | H141 | 104.7° | 109.5° |
| C16 | C15 | C22 | 115.2° | 109.4° |
| C15 | C16 | C17 | 124.4° | 120.0° |
| C15 | C16 | C21 | 121.5° | 120.0° |
| C16 | C15 | H151 | 107.3° | 109.5° |
| C22 | C15 | H151 | 107.2° | 109.5° |
| C15 | C22 | H223 | 109.5° | 109.5° |
| C15 | C22 | H222 | 109.5° | 109.4° |
| C15 | C22 | H221 | 109.5° | 109.5° |
| C17 | C16 | C21 | 114.0° | 120.0° |
| C16 | C17 | C18 | 122.4° | 120.0° |
| C16 | C17 | H171 | 118.8° | 120.0° |
| C16 | C21 | C20 | 123.5° | 120.0° |
| C16 | C21 | H211 | 118.2° | 120.0° |
| C17 | C18 | C19 | 121.8° | 120.0° |
| C18 | C17 | H171 | 118.8° | 120.0° |
| C17 | C18 | H181 | 119.1° | 120.0° |
| C21 | C20 | C19 | 121.3° | 120.0° |
| C21 | C20 | H201 | 119.3° | 120.0° |
| C20 | C21 | H211 | 118.3° | 120.0° |
| C18 | C19 | C20 | 116.9° | 120.0° |
| C19 | C18 | H181 | 119.1° | 120.0° |
| C18 | C19 | H191 | 121.5° | 120.0° |
| C19 | C20 | H201 | 119.4° | 120.0° |
| C20 | C19 | H191 | 121.5° | 120.0° |
| H223 | C22 | H222 | 109.5° | 109.5° |
| H223 | C22 | H221 | 109.5° | 109.5° |
| H222 | C22 | H221 | 109.5° | 109.5° |
| H262 | C26 | H261 | 109.5° | 109.5° |
| H063 | C06 | H061 | 109.5° | 109.5° |
| H063 | C06 | H062 | 109.5° | 109.5° |
| H061 | C06 | H062 | 109.5° | 109.5° |
| H072 | C07 | H073 | 109.5° | 109.5° |
| H072 | C07 | H071 | 109.5° | 109.5° |
| H073 | C07 | H071 | 109.4° | 109.5° |
| H083 | C08 | H081 | 109.5° | 109.5° |
| H083 | C08 | H082 | 109.4° | 109.5° |
| H081 | C08 | H082 | 109.5° | 109.5° |
| H292 | C29 | H291 | 109.4° | 109.4° |
| H292 | C29 | H293 | 109.5° | 109.4° |
| H291 | C29 | H293 | 109.5° | 109.5° |
| H392 | C39 | H391 | 109.4° | 109.5° |
| H392 | C39 | H393 | 109.5° | 109.4° |
| H391 | C39 | H393 | 109.5° | 109.5° |
| H401 | C40 | H403 | 109.4° | 109.5° |
| H401 | C40 | H402 | 109.5° | 109.4° |
| H403 | C40 | H402 | 109.5° | 109.5° |
| H412 | C41 | H413 | 109.4° | 109.4° |
| H412 | C41 | H411 | 109.5° | 109.5° |
| H413 | C41 | H411 | 109.5° | 109.5° |
| H441 | C44 | H442 | 109.5° | 109.5° |
| H441 | C44 | H443 | 109.4° | 109.5° |
| H442 | C44 | H443 | 109.4° | 109.5° |
| H451 | C45 | H452 | 109.5° | 109.5° |
| H451 | C45 | H453 | 109.5° | 109.5° |
| H452 | C45 | H453 | 109.5° | 109.5° |
| H501 | C50 | H503 | 109.5° | 109.4° |
| H501 | C50 | H502 | 109.4° | 109.5° |
| H503 | C50 | H502 | 109.5° | 109.5° |
| H512 | C51 | H511 | 109.5° | 110.4° |
| H521 | C52 | H522 | 109.5° | 110.1° |
| H552 | C55 | H551 | 109.5° | 110.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C08 | C05 | C07 | C06 | 118.9° | 120.0° |
| C08 | C05 | C07 | C04 | 116.8° | 120.0° |
| C08 | C05 | C06 | C04 | 117.2° | 120.0° |
| C08 | C05 | C04 | N03 | 73.7° | 52.7° |
| C08 | C05 | C04 | C09 | 166.5° | 63.1° |
| C08 | C05 | C04 | H041 | 48.0° | 174.9° |
| C08 | C05 | C06 | H063 | 180.0° | 176.1° |
| C08 | C05 | C06 | H061 | 60.0° | 56.1° |
| C08 | C05 | C06 | H062 | 60.0° | 63.9° |
| C08 | C05 | C07 | H072 | 180.0° | 180.0° |
| C08 | C05 | C07 | H073 | 60.0° | 60.0° |
| C08 | C05 | C07 | H071 | 60.0° | 60.0° |
| C05 | C08 | H083 | H081 | 120.0° | 120.0° |
| C05 | C08 | H083 | H082 | 120.0° | 120.0° |
| C05 | C08 | H081 | H082 | 120.0° | 120.0° |
| C44 | C43 | C45 | C42 | 123.3° | 120.0° |
| C44 | C43 | C45 | H431 | 118.1° | 120.0° |
| C44 | C43 | C42 | H431 | 115.6° | 120.0° |
| C44 | C43 | C42 | C02 | 52.0° | 63.4° |
| C44 | C43 | C42 | N46 | 164.9° | 175.9° |
| C44 | C43 | C42 | H421 | 69.6° | 56.2° |
| C43 | C44 | H441 | H442 | 120.0° | 119.9° |
| C43 | C44 | H441 | H443 | 120.0° | 120.0° |
| C43 | C44 | H442 | H443 | 120.0° | 120.0° |
| C44 | C43 | C45 | H451 | 180.0° | 180.0° |
| C44 | C43 | C45 | H452 | 60.0° | 60.0° |
| C44 | C43 | C45 | H453 | 60.0° | 60.0° |
| C07 | C05 | C06 | C04 | 121.8° | 120.0° |
| C07 | C05 | C04 | N03 | 46.5° | 67.3° |
| C07 | C05 | C04 | C09 | 73.3° | 176.9° |
| C07 | C05 | C04 | H041 | 168.1° | 54.9° |
| C07 | C05 | C06 | H063 | 59.1° | 56.1° |
| C07 | C05 | C06 | H061 | 179.1° | 63.9° |
| C07 | C05 | C06 | H062 | 60.9° | 176.1° |
| C05 | C07 | H072 | H073 | 120.0° | 120.0° |
| C05 | C07 | H072 | H071 | 120.0° | 120.0° |
| C05 | C07 | H073 | H071 | 120.0° | 120.0° |
| C07 | C05 | C08 | H083 | 180.0° | 40.6° |
| C07 | C05 | C08 | H081 | 60.0° | 79.4° |
| C07 | C05 | C08 | H082 | 60.0° | 160.6° |
| C06 | C05 | C04 | N03 | 167.8° | 172.8° |
| C06 | C05 | C04 | C09 | 47.9° | 57.0° |
| C06 | C05 | C04 | H041 | 70.6° | 65.1° |
| C05 | C06 | H063 | H061 | 120.0° | 120.0° |
| C05 | C06 | H063 | H062 | 120.0° | 120.0° |
| C05 | C06 | H061 | H062 | 120.0° | 120.0° |
| C06 | C05 | C07 | H072 | 61.1° | 60.0° |
| C06 | C05 | C07 | H073 | 59.0° | 180.0° |
| C06 | C05 | C07 | H071 | 178.9° | 60.0° |
| C06 | C05 | C08 | H083 | 60.9° | 79.4° |
| C06 | C05 | C08 | H081 | 179.1° | 160.6° |
| C06 | C05 | C08 | H082 | 59.1° | 40.6° |
| C05 | C04 | N03 | C09 | 128.4° | 118.8° |
| C05 | C04 | N03 | H041 | 120.1° | 122.1° |
| C05 | C04 | N03 | C02 | 157.6° | 173.6° |
| C05 | C04 | C09 | H041 | 118.8° | 122.1° |
| C05 | C04 | C09 | N56 | 82.9° | 61.8° |
| C05 | C04 | C09 | N10 | 97.7° | 117.9° |
| C04 | C05 | C06 | H063 | 62.8° | 63.9° |
| C04 | C05 | C06 | H061 | 57.2° | 176.1° |
| C04 | C05 | C06 | H062 | 177.2° | 56.1° |
| C04 | C05 | C07 | H072 | 63.2° | 60.0° |
| C04 | C05 | C07 | H073 | 176.7° | 60.0° |
| C04 | C05 | C07 | H071 | 56.8° | 180.0° |
| C04 | C05 | C08 | H083 | 61.1° | 160.6° |
| C04 | C05 | C08 | H081 | 58.9° | 40.6° |
| C04 | C05 | C08 | H082 | 178.9° | 79.4° |
| C05 | C04 | N03 | H031 | 22.4° | 6.3° |
| C45 | C43 | C42 | H431 | 118.5° | 120.0° |
| C45 | C43 | C42 | C02 | 177.9° | 176.6° |
| C45 | C43 | C42 | N46 | 69.2° | 55.9° |
| C45 | C43 | C42 | H421 | 56.3° | 63.8° |
| C45 | C43 | C44 | H441 | 180.0° | 175.9° |
| C45 | C43 | C44 | H442 | 60.0° | 56.0° |
| C45 | C43 | C44 | H443 | 60.0° | 64.1° |
| C43 | C45 | H451 | H452 | 120.0° | 120.0° |
| C43 | C45 | H451 | H453 | 120.0° | 120.0° |
| C43 | C45 | H452 | H453 | 120.0° | 120.0° |
| C43 | C42 | C02 | N03 | 46.1° | 73.4° |
| C43 | C42 | C02 | N46 | 123.8° | 120.2° |
| C43 | C42 | C02 | H421 | 121.8° | 119.1° |
| C43 | C42 | C02 | O01 | 135.7° | 105.8° |
| C43 | C42 | N46 | H421 | 125.5° | 119.2° |
| C43 | C42 | N46 | C47 | 130.6° | 165.5° |
| C42 | C43 | C44 | H441 | 53.9° | 55.9° |
| C42 | C43 | C44 | H442 | 66.2° | 64.1° |
| C42 | C43 | C44 | H443 | 173.9° | 175.9° |
| C42 | C43 | C45 | H451 | 56.7° | 60.0° |
| C42 | C43 | C45 | H452 | 176.7° | 180.0° |
| C42 | C43 | C45 | H453 | 63.3° | 60.0° |
| C43 | C42 | N46 | H461 | 49.4° | 14.0° |
| C04 | N03 | C02 | H031 | 180.0° | 179.9° |
| N03 | C04 | C09 | H041 | 114.2° | 119.1° |
| C04 | N03 | C02 | C42 | 174.5° | 171.2° |
| C04 | N03 | C02 | O01 | 3.6° | 9.6° |
| N03 | C04 | C09 | N56 | 44.0° | 57.0° |
| N03 | C04 | C09 | N10 | 135.4° | 123.3° |
| C02 | N03 | C04 | C09 | 74.0° | 67.6° |
| N03 | C02 | C42 | O01 | 178.2° | 179.3° |
| N03 | C02 | C42 | N46 | 77.8° | 46.8° |
| C02 | N03 | C04 | H041 | 37.5° | 51.5° |
| N03 | C02 | C42 | H421 | 167.9° | 167.5° |
| C04 | C09 | N56 | N10 | 179.4° | 179.7° |
| C04 | C09 | N56 | C55 | 176.5° | 165.8° |
| C04 | C09 | N10 | C11 | 1.1° | 8.2° |
| C09 | C04 | N03 | H031 | 106.0° | 112.5° |
| C04 | C09 | N56 | H561 | 3.5° | 14.5° |
| O30 | C27 | C26 | O28 | 176.9° | 180.0° |
| O30 | C27 | O28 | C29 | 24.1° | 0.0° |
| O30 | C27 | C26 | C25 | 116.0° | 0.0° |
| O30 | C27 | C26 | H262 | 124.0° | 120.0° |
| O30 | C27 | C26 | H261 | 3.9° | 120.0° |
| C02 | C42 | N46 | H421 | 114.0° | 120.5° |
| C02 | C42 | N46 | C47 | 108.9° | 74.3° |
| C02 | C42 | C43 | H431 | 63.6° | 56.6° |
| C42 | C02 | N03 | H031 | 5.5° | 8.9° |
| C02 | C42 | N46 | H461 | 71.1° | 106.2° |
| O01 | C02 | C42 | N46 | 100.4° | 133.9° |
| O01 | C02 | C42 | H421 | 14.0° | 13.2° |
| O01 | C02 | N03 | H031 | 176.4° | 170.3° |
| C42 | N46 | C47 | H461 | 180.0° | 179.5° |
| C42 | N46 | C47 | O58 | 3.2° | 177.2° |
| C42 | N46 | C47 | C48 | 178.1° | 2.2° |
| N46 | C42 | C43 | H431 | 49.3° | 64.1° |
| C26 | C27 | O28 | C29 | 158.9° | 180.0° |
| C27 | C26 | C25 | H262 | 119.9° | 120.0° |
| C27 | C26 | C25 | H261 | 119.9° | 120.0° |
| C27 | C26 | C25 | C31 | 158.3° | 175.0° |
| C27 | C26 | C25 | N24 | 76.3° | 65.0° |
| C27 | C26 | H262 | H261 | 120.2° | 120.0° |
| C27 | C26 | C25 | H251 | 37.5° | 55.0° |
| O28 | C27 | C26 | C25 | 60.8° | 180.0° |
| O28 | C27 | C26 | H262 | 59.1° | 60.0° |
| O28 | C27 | C26 | H261 | 179.2° | 59.9° |
| C27 | O28 | C29 | H292 | 180.0° | 60.0° |
| C27 | O28 | C29 | H291 | 60.0° | 60.0° |
| C27 | O28 | C29 | H293 | 60.0° | 180.0° |
| O28 | C29 | H292 | H291 | 120.0° | 120.1° |
| O28 | C29 | H292 | H293 | 120.0° | 120.0° |
| O28 | C29 | H291 | H293 | 120.0° | 120.0° |
| C26 | C25 | C31 | N32 | 32.9° | 74.8° |
| C26 | C25 | C31 | N24 | 125.8° | 120.0° |
| C26 | C25 | C31 | H251 | 120.6° | 120.0° |
| C26 | C25 | N24 | H251 | 113.6° | 120.0° |
| C26 | C25 | C31 | S35 | 150.6° | 105.0° |
| C26 | C25 | N24 | C23 | 114.5° | 155.0° |
| C25 | C26 | H262 | H261 | 120.2° | 120.1° |
| C26 | C25 | N24 | H241 | 65.5° | 25.0° |
| C09 | N56 | C55 | H561 | 180.0° | 179.7° |
| N56 | C09 | N10 | C11 | 178.2° | 171.5° |
| C09 | N56 | C55 | C54 | 95.7° | 110.9° |
| N56 | C09 | C04 | H041 | 158.3° | 176.1° |
| C09 | N56 | C55 | H552 | 22.0° | 131.6° |
| C09 | N56 | C55 | H551 | 146.6° | 7.8° |
| N10 | C09 | N56 | C55 | 2.9° | 14.6° |
| C09 | N10 | C11 | C38 | 137.1° | 128.5° |
| C09 | N10 | C11 | C12 | 106.7° | 111.5° |
| N10 | C09 | C04 | H041 | 21.2° | 4.2° |
| C09 | N10 | C11 | H111 | 10.6° | 8.5° |
| N10 | C09 | N56 | H561 | 177.1° | 165.1° |
| N46 | C47 | O58 | C48 | 178.6° | 179.3° |
| N46 | C47 | C48 | N53 | 30.3° | 138.9° |
| N46 | C47 | C48 | C49 | 80.4° | 101.4° |
| C47 | N46 | C42 | H421 | 5.1° | 46.2° |
| N46 | C47 | C48 | H481 | 150.9° | 19.9° |
| N56 | C55 | C54 | H552 | 117.8° | 118.2° |
| N56 | C55 | C54 | H551 | 117.8° | 120.1° |
| N56 | C55 | C54 | N53 | 94.3° | 94.4° |
| N56 | C55 | C54 | O57 | 81.9° | 84.9° |
| N56 | C55 | H552 | H551 | 126.3° | 124.7° |
| N10 | C11 | C38 | C12 | 114.3° | 120.0° |
| N10 | C11 | C38 | H111 | 127.3° | 120.0° |
| N10 | C11 | C12 | H111 | 119.3° | 120.0° |
| N10 | C11 | C38 | C39 | 57.0° | 174.8° |
| N10 | C11 | C38 | C40 | 176.1° | 54.8° |
| N10 | C11 | C12 | O37 | 162.2° | 11.8° |
| N10 | C11 | C38 | C41 | 61.7° | 65.3° |
| N10 | C11 | C12 | N13 | 22.7° | 168.2° |
| C38 | C11 | C12 | H111 | 119.4° | 119.9° |
| C11 | C38 | C39 | C40 | 122.4° | 120.0° |
| C11 | C38 | C39 | C41 | 119.7° | 120.0° |
| C11 | C38 | C40 | C41 | 122.6° | 120.0° |
| C38 | C11 | C12 | O37 | 76.5° | 108.2° |
| C38 | C11 | C12 | N13 | 98.6° | 71.8° |
| C11 | C38 | C39 | H392 | 180.0° | 50.6° |
| C11 | C38 | C39 | H391 | 60.0° | 170.7° |
| C11 | C38 | C39 | H393 | 60.0° | 69.3° |
| C11 | C38 | C40 | H401 | 180.0° | 53.7° |
| C11 | C38 | C40 | H403 | 60.0° | 173.7° |
| C11 | C38 | C40 | H402 | 60.0° | 66.2° |
| C11 | C38 | C41 | H412 | 180.0° | 60.0° |
| C11 | C38 | C41 | H413 | 60.0° | 180.0° |
| C11 | C38 | C41 | H411 | 60.0° | 60.0° |
| C12 | C11 | C38 | C39 | 171.3° | 65.2° |
| C12 | C11 | C38 | C40 | 69.6° | 174.8° |
| C11 | C12 | O37 | N13 | 175.7° | 180.0° |
| C12 | C11 | C38 | C41 | 52.6° | 54.8° |
| C11 | C12 | N13 | C14 | 174.2° | 177.3° |
| C11 | C12 | N13 | H131 | 5.8° | 2.7° |
| C39 | C38 | C40 | C41 | 117.3° | 120.0° |
| C39 | C38 | C11 | H111 | 70.2° | 54.7° |
| C38 | C39 | H392 | H391 | 120.0° | 120.0° |
| C38 | C39 | H392 | H393 | 120.0° | 120.0° |
| C38 | C39 | H391 | H393 | 120.0° | 120.0° |
| C39 | C38 | C40 | H401 | 59.9° | 173.7° |
| C39 | C38 | C40 | H403 | 179.9° | 66.3° |
| C39 | C38 | C40 | H402 | 60.1° | 53.8° |
| C39 | C38 | C41 | H412 | 60.9° | 60.0° |
| C39 | C38 | C41 | H413 | 59.1° | 60.0° |
| C39 | C38 | C41 | H411 | 179.1° | 180.0° |
| C40 | C38 | C11 | H111 | 48.9° | 65.2° |
| C40 | C38 | C39 | H392 | 57.5° | 69.4° |
| C40 | C38 | C39 | H391 | 62.4° | 50.7° |
| C40 | C38 | C39 | H393 | 177.6° | 170.7° |
| C38 | C40 | H401 | H403 | 120.0° | 120.0° |
| C38 | C40 | H401 | H402 | 120.0° | 120.0° |
| C38 | C40 | H403 | H402 | 120.0° | 120.1° |
| C40 | C38 | C41 | H412 | 55.7° | 180.0° |
| C40 | C38 | C41 | H413 | 175.7° | 60.0° |
| C40 | C38 | C41 | H411 | 64.3° | 60.0° |
| N32 | C31 | C25 | S35 | 176.4° | 179.8° |
| N32 | C31 | C25 | N24 | 158.8° | 45.3° |
| C31 | N32 | C33 | C34 | 0.3° | 0.1° |
| N32 | C31 | S35 | C34 | 1.2° | 0.2° |
| N32 | C31 | C25 | H251 | 87.7° | 165.3° |
| C31 | N32 | C33 | H331 | 179.7° | 179.8° |
| C33 | N32 | C31 | C25 | 177.7° | 180.0° |
| C33 | N32 | C31 | S35 | 1.0° | 0.2° |
| N32 | C33 | C34 | H331 | 180.0° | 179.9° |
| N32 | C33 | C34 | S35 | 0.6° | 0.1° |
| N32 | C33 | C34 | H341 | 179.4° | 179.9° |
| C31 | C25 | N24 | H251 | 113.5° | 120.0° |
| C31 | C25 | N24 | C23 | 112.7° | 85.0° |
| C25 | C31 | S35 | C34 | 178.1° | 180.0° |
| C31 | C25 | C26 | H262 | 81.7° | 55.0° |
| C31 | C25 | C26 | H261 | 38.4° | 65.0° |
| C31 | C25 | N24 | H241 | 67.4° | 95.0° |
| N24 | C25 | C31 | S35 | 24.8° | 134.9° |
| C25 | N24 | C23 | H241 | 180.0° | 180.0° |
| C25 | N24 | C23 | O36 | 1.8° | 5.0° |
| C25 | N24 | C23 | C14 | 178.4° | 175.1° |
| N24 | C25 | C26 | H262 | 43.7° | 175.0° |
| N24 | C25 | C26 | H261 | 163.8° | 55.0° |
| O37 | C12 | N13 | C14 | 1.2° | 2.7° |
| O37 | C12 | C11 | H111 | 42.9° | 131.9° |
| O37 | C12 | N13 | H131 | 178.8° | 177.2° |
| C41 | C38 | C11 | H111 | 171.0° | 174.7° |
| C41 | C38 | C39 | H392 | 60.3° | 170.6° |
| C41 | C38 | C39 | H391 | 179.7° | 69.3° |
| C41 | C38 | C39 | H393 | 59.7° | 50.7° |
| C41 | C38 | C40 | H401 | 57.4° | 66.3° |
| C41 | C38 | C40 | H403 | 62.6° | 53.7° |
| C41 | C38 | C40 | H402 | 177.4° | 173.8° |
| C38 | C41 | H412 | H413 | 120.0° | 120.0° |
| C38 | C41 | H412 | H411 | 120.0° | 120.0° |
| C38 | C41 | H413 | H411 | 120.0° | 120.0° |
| C12 | N13 | C14 | H131 | 180.0° | 180.0° |
| C12 | N13 | C14 | C23 | 75.0° | 129.7° |
| C12 | N13 | C14 | C15 | 155.7° | 110.4° |
| N13 | C12 | C11 | H111 | 142.0° | 48.1° |
| C12 | N13 | C14 | H141 | 44.8° | 9.7° |
| O58 | C47 | C48 | N53 | 151.1° | 40.4° |
| O58 | C47 | C48 | C49 | 98.3° | 79.2° |
| O58 | C47 | C48 | H481 | 30.4° | 159.4° |
| O58 | C47 | N46 | H461 | 176.8° | 3.4° |
| C47 | C48 | C49 | C51 | 87.5° | 142.4° |
| C47 | C48 | N53 | C52 | 113.1° | 154.9° |
| C47 | C48 | C49 | C50 | 34.0° | 23.2° |
| C47 | C48 | N53 | C54 | 66.1° | 26.7° |
| C47 | C48 | N53 | C49 | 119.6° | 123.4° |
| C47 | C48 | N53 | H481 | 120.1° | 120.4° |
| C47 | C48 | C49 | H481 | 128.5° | 122.3° |
| C47 | C48 | C49 | H491 | 154.7° | 99.6° |
| C48 | C47 | N46 | H461 | 1.9° | 177.3° |
| C31 | S35 | C34 | C33 | 1.0° | 0.2° |
| S35 | C31 | C25 | H251 | 88.7° | 14.9° |
| C31 | S35 | C34 | H341 | 179.1° | 179.8° |
| N24 | C23 | C14 | N13 | 31.7° | 159.4° |
| N24 | C23 | O36 | C14 | 176.9° | 179.9° |
| N24 | C23 | C14 | C15 | 93.8° | 80.7° |
| N24 | C23 | C14 | H141 | 151.3° | 39.3° |
| C23 | N24 | C25 | H251 | 0.9° | 34.9° |
| C52 | C51 | C49 | H512 | 119.4° | 119.0° |
| C52 | C51 | C49 | H511 | 119.4° | 119.1° |
| C51 | C52 | N53 | H521 | 119.2° | 119.3° |
| C51 | C52 | N53 | H522 | 119.2° | 119.0° |
| C52 | C51 | C49 | C50 | 153.8° | 117.8° |
| C51 | C52 | N53 | C54 | 166.3° | 152.3° |
| C51 | C52 | N53 | C48 | 12.8° | 29.4° |
| C52 | C51 | C49 | C48 | 32.3° | 2.7° |
| C52 | C51 | C49 | H491 | 85.3° | 121.0° |
| C52 | C51 | H512 | H511 | 121.8° | 121.8° |
| C51 | C52 | H521 | H522 | 122.3° | 121.3° |
| C49 | C51 | C52 | N53 | 27.2° | 16.0° |
| C51 | C49 | C50 | C48 | 118.7° | 116.0° |
| C51 | C49 | C50 | H491 | 120.9° | 121.0° |
| C51 | C49 | C48 | N53 | 23.4° | 20.5° |
| C51 | C49 | C48 | H491 | 117.7° | 117.9° |
| C51 | C49 | C48 | H481 | 144.0° | 95.3° |
| C51 | C49 | C50 | H501 | 180.0° | 176.0° |
| C51 | C49 | C50 | H503 | 60.0° | 64.0° |
| C51 | C49 | C50 | H502 | 60.0° | 56.0° |
| C49 | C51 | H512 | H511 | 121.9° | 121.7° |
| C49 | C51 | C52 | H521 | 146.5° | 135.4° |
| C49 | C51 | C52 | H522 | 91.9° | 103.1° |
| C33 | C34 | S35 | H341 | 180.0° | 180.0° |
| C52 | N53 | C54 | C55 | 2.1° | 73.0° |
| C52 | N53 | C54 | C48 | 179.0° | 178.1° |
| C52 | N53 | C54 | O57 | 178.2° | 107.8° |
| C52 | N53 | C48 | C49 | 6.5° | 31.4° |
| C52 | N53 | C48 | H481 | 126.9° | 84.7° |
| N53 | C52 | C51 | H512 | 146.6° | 103.0° |
| N53 | C52 | C51 | H511 | 92.1° | 135.0° |
| N53 | C52 | H521 | H522 | 122.3° | 121.7° |
| C55 | C54 | N53 | O57 | 176.2° | 179.2° |
| C55 | C54 | N53 | C48 | 177.0° | 105.0° |
| C54 | C55 | H552 | H551 | 126.2° | 121.2° |
| C54 | C55 | N56 | H561 | 84.3° | 69.4° |
| C50 | C49 | C48 | N53 | 144.9° | 98.8° |
| C50 | C49 | C48 | H491 | 120.7° | 122.8° |
| C50 | C49 | C48 | H481 | 94.5° | 145.5° |
| C49 | C50 | H501 | H503 | 120.0° | 120.0° |
| C49 | C50 | H501 | H502 | 120.0° | 120.0° |
| C49 | C50 | H503 | H502 | 120.0° | 120.0° |
| C50 | C49 | C51 | H512 | 86.8° | 1.2° |
| C50 | C49 | C51 | H511 | 34.5° | 123.2° |
| C54 | N53 | C48 | C49 | 174.3° | 150.2° |
| C54 | N53 | C48 | H481 | 54.0° | 93.7° |
| C54 | N53 | C52 | H521 | 47.1° | 33.0° |
| C54 | N53 | C52 | H522 | 74.5° | 88.8° |
| N53 | C54 | C55 | H552 | 148.0° | 147.4° |
| N53 | C54 | C55 | H551 | 23.5° | 25.8° |
| C48 | N53 | C54 | O57 | 0.8° | 74.1° |
| N53 | C48 | C49 | H481 | 120.6° | 115.8° |
| N53 | C48 | C49 | H491 | 94.4° | 138.4° |
| C48 | N53 | C52 | H521 | 132.0° | 148.7° |
| C48 | N53 | C52 | H522 | 106.3° | 89.6° |
| O57 | C54 | C55 | H552 | 35.9° | 33.4° |
| O57 | C54 | C55 | H551 | 160.4° | 155.0° |
| N13 | C14 | C23 | O36 | 145.0° | 20.5° |
| N13 | C14 | C23 | C15 | 125.5° | 119.9° |
| N13 | C14 | C23 | H141 | 119.6° | 120.1° |
| N13 | C14 | C15 | H141 | 112.2° | 120.1° |
| N13 | C14 | C15 | C16 | 62.5° | 57.5° |
| N13 | C14 | C15 | C22 | 169.0° | 62.5° |
| N13 | C14 | C15 | H151 | 53.5° | 177.6° |
| O36 | C23 | C14 | C15 | 89.5° | 99.4° |
| O36 | C23 | C14 | H141 | 25.4° | 140.6° |
| O36 | C23 | N24 | H241 | 178.2° | 175.0° |
| C23 | C14 | C15 | H141 | 116.1° | 120.0° |
| C23 | C14 | C15 | C16 | 165.7° | 62.4° |
| C23 | C14 | C15 | C22 | 37.2° | 177.6° |
| C23 | C14 | C15 | H151 | 78.3° | 57.6° |
| C23 | C14 | N13 | H131 | 105.0° | 50.3° |
| C14 | C23 | N24 | H241 | 1.6° | 4.8° |
| C48 | C49 | C50 | H501 | 61.3° | 60.0° |
| C48 | C49 | C50 | H503 | 178.7° | 180.0° |
| C48 | C49 | C50 | H502 | 58.7° | 60.0° |
| C48 | C49 | C51 | H512 | 151.6° | 121.7° |
| C48 | C49 | C51 | H511 | 87.1° | 116.4° |
| S35 | C34 | C33 | H331 | 179.4° | 180.0° |
| C14 | C15 | C16 | C22 | 125.7° | 119.9° |
| C14 | C15 | C16 | H151 | 115.1° | 120.1° |
| C14 | C15 | C22 | H151 | 114.6° | 120.0° |
| C14 | C15 | C16 | C17 | 104.8° | 112.9° |
| C14 | C15 | C16 | C21 | 73.9° | 67.1° |
| C14 | C15 | C22 | H223 | 180.0° | 173.0° |
| C14 | C15 | C22 | H222 | 60.0° | 53.1° |
| C14 | C15 | C22 | H221 | 60.0° | 66.9° |
| C15 | C14 | N13 | H131 | 24.3° | 69.7° |
| C16 | C15 | C22 | H151 | 119.3° | 120.0° |
| C15 | C16 | C17 | C21 | 178.8° | 179.9° |
| C15 | C16 | C17 | C18 | 179.7° | 180.0° |
| C15 | C16 | C21 | C20 | 179.6° | 179.4° |
| C15 | C16 | C17 | H171 | 0.3° | 0.3° |
| C15 | C16 | C21 | H211 | 0.4° | 0.3° |
| C16 | C15 | C22 | H223 | 53.9° | 67.0° |
| C16 | C15 | C22 | H222 | 173.9° | 173.0° |
| C16 | C15 | C22 | H221 | 66.1° | 53.1° |
| C16 | C15 | C14 | H141 | 49.7° | 177.6° |
| C22 | C15 | C16 | C17 | 129.6° | 127.1° |
| C22 | C15 | C16 | C21 | 51.7° | 52.8° |
| C15 | C22 | H223 | H222 | 120.0° | 119.9° |
| C15 | C22 | H223 | H221 | 120.0° | 120.0° |
| C15 | C22 | H222 | H221 | 120.0° | 120.0° |
| C22 | C15 | C14 | H141 | 78.9° | 57.6° |
| C16 | C17 | C18 | H171 | 180.0° | 179.7° |
| C17 | C16 | C21 | C20 | 1.6° | 0.5° |
| C16 | C17 | C18 | C19 | 0.4° | 0.3° |
| C17 | C16 | C15 | H151 | 10.3° | 7.1° |
| C17 | C16 | C21 | H211 | 178.4° | 179.7° |
| C16 | C17 | C18 | H181 | 179.6° | 179.7° |
| C21 | C16 | C17 | C18 | 0.9° | 0.1° |
| C16 | C21 | C20 | H211 | 180.0° | 179.2° |
| C16 | C21 | C20 | C19 | 1.7° | 0.8° |
| C21 | C16 | C15 | H151 | 171.0° | 172.8° |
| C21 | C16 | C17 | H171 | 179.1° | 179.8° |
| C16 | C21 | C20 | H201 | 178.3° | 179.8° |
| C17 | C18 | C19 | H181 | 180.0° | 179.9° |
| C17 | C18 | C19 | C20 | 0.4° | 0.1° |
| C17 | C18 | C19 | H191 | 179.6° | 179.4° |
| C21 | C20 | C19 | C18 | 1.1° | 0.6° |
| C21 | C20 | C19 | H201 | 180.0° | 179.4° |
| C21 | C20 | C19 | H191 | 178.9° | 180.0° |
| C18 | C19 | C20 | H191 | 180.0° | 179.4° |
| C19 | C18 | C17 | H171 | 179.6° | 180.0° |
| C18 | C19 | C20 | H201 | 178.9° | 180.0° |
| C19 | C20 | C21 | H211 | 178.3° | 180.0° |
| C20 | C19 | C18 | H181 | 179.6° | 180.0° |
| H151 | C15 | C22 | H223 | 65.4° | 53.0° |
| H151 | C15 | C22 | H222 | 54.6° | 66.9° |
| H151 | C15 | C22 | H221 | 174.6° | 173.1° |
| H151 | C15 | C14 | H141 | 165.7° | 62.4° |
| H171 | C17 | C18 | H181 | 0.4° | 0.0° |
| H201 | C20 | C21 | H211 | 1.8° | 0.6° |
| H201 | C20 | C19 | H191 | 1.1° | 0.7° |
| H223 | C22 | H222 | H221 | 120.0° | 120.0° |
| H262 | C26 | C25 | H251 | 157.5° | 64.9° |
| H261 | C26 | C25 | H251 | 82.4° | 175.0° |
| H041 | C04 | N03 | H031 | 142.5° | 128.4° |
| H063 | C06 | H061 | H062 | 120.0° | 120.0° |
| H072 | C07 | H073 | H071 | 119.9° | 120.0° |
| H083 | C08 | H081 | H082 | 120.0° | 120.0° |
| H141 | C14 | N13 | H131 | 135.2° | 170.3° |
| H181 | C18 | C19 | H191 | 0.4° | 0.6° |
| H251 | C25 | N24 | H241 | 179.1° | 145.0° |
| H292 | C29 | H291 | H293 | 120.0° | 119.9° |
| H331 | C33 | C34 | H341 | 0.6° | 0.0° |
| H392 | C39 | H391 | H393 | 120.0° | 119.9° |
| H401 | C40 | H403 | H402 | 120.0° | 120.0° |
| H412 | C41 | H413 | H411 | 120.0° | 120.0° |
| H421 | C42 | C43 | H431 | 174.8° | 176.1° |
| H421 | C42 | N46 | H461 | 174.9° | 133.2° |
| H431 | C43 | C44 | H441 | 61.8° | 64.1° |
| H431 | C43 | C44 | H442 | 178.1° | 175.9° |
| H431 | C43 | C44 | H443 | 58.2° | 55.9° |
| H431 | C43 | C45 | H451 | 61.9° | 60.0° |
| H431 | C43 | C45 | H452 | 58.1° | 60.0° |
| H431 | C43 | C45 | H453 | 178.1° | 180.0° |
| H441 | C44 | H442 | H443 | 120.0° | 120.1° |
| H451 | C45 | H452 | H453 | 120.0° | 120.0° |
| H481 | C48 | C49 | H491 | 26.2° | 22.7° |
| H491 | C49 | C50 | H501 | 59.1° | 62.9° |
| H491 | C49 | C50 | H503 | 60.9° | 57.1° |
| H491 | C49 | C50 | H502 | 179.1° | 177.1° |
| H491 | C49 | C51 | H512 | 34.1° | 120.0° |
| H491 | C49 | C51 | H511 | 155.4° | 1.9° |
| H501 | C50 | H503 | H502 | 120.0° | 120.0° |
| H512 | C51 | C52 | H521 | 94.2° | 16.4° |
| H512 | C51 | C52 | H522 | 27.4° | 137.9° |
| H511 | C51 | C52 | H521 | 27.1° | 105.6° |
| H511 | C51 | C52 | H522 | 148.7° | 15.9° |
| H552 | C55 | N56 | H561 | 158.0° | 48.1° |
| H551 | C55 | N56 | H561 | 33.4° | 171.9° |
