ZJM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C53 | C52 | sing | 1.56Å | 1.56Å | |
| C53 | C54 | sing | 1.39Å | 1.39Å | |
| C52 | C51 | sing | 1.65Å | 1.65Å | |
| C54 | C50 | sing | 1.71Å | 1.71Å | |
| C51 | F55 | sing | 1.39Å | 1.39Å | |
| C51 | C50 | sing | 1.33Å | 1.33Å | |
| C50 | O20 | sing | 1.42Å | 1.42Å | |
| O20 | C19 | sing | 1.40Å | 1.40Å | |
| C19 | N17 | sing | 1.44Å | 1.44Å | |
| C19 | O21 | doub | 1.20Å | 1.20Å | |
| N17 | C15 | sing | 1.43Å | 1.43Å | |
| C32 | C25 | sing | 1.52Å | 1.52Å | |
| O16 | C08 | doub | 1.20Å | 1.20Å | |
| C15 | C18 | sing | 1.54Å | 1.54Å | |
| C15 | C08 | sing | 1.54Å | 1.54Å | |
| C18 | C22 | sing | 1.55Å | 1.55Å | |
| C08 | N03 | sing | 1.48Å | 1.48Å | |
| C14 | C13 | sing | 1.50Å | 1.50Å | |
| C14 | C11 | sing | 1.53Å | 1.53Å | |
| C25 | N30 | doub | 1.43Å | 1.43Å | Aromatic |
| C25 | C24 | sing | 1.51Å | 1.51Å | Aromatic |
| C13 | C46 | sing | 1.55Å | 1.55Å | |
| C13 | C11 | sing | 1.53Å | 1.53Å | |
| C48 | C47 | sing | 1.54Å | 1.54Å | |
| C48 | C49 | sing | 1.53Å | 1.53Å | |
| C46 | C47 | doub | 1.35Å | 1.35Å | |
| N30 | C28 | sing | 1.45Å | 1.45Å | Aromatic |
| N03 | C01 | sing | 1.38Å | 1.38Å | |
| N03 | C06 | sing | 1.65Å | 1.65Å | |
| O07 | C24 | sing | 1.39Å | 1.39Å | |
| O07 | C05 | sing | 1.46Å | 1.46Å | |
| C11 | N10 | sing | 1.44Å | 1.44Å | |
| C11 | C12 | sing | 1.52Å | 1.52Å | |
| N10 | C04 | sing | 1.47Å | 1.47Å | |
| C22 | C23 | sing | 1.55Å | 1.55Å | |
| C23 | C49 | sing | 1.55Å | 1.55Å | |
| C24 | N26 | doub | 1.42Å | 1.42Å | Aromatic |
| C01 | C04 | sing | 1.53Å | 1.53Å | |
| C01 | C02 | sing | 1.55Å | 1.55Å | |
| C04 | O09 | doub | 1.20Å | 1.20Å | |
| C28 | C31 | doub | 1.53Å | 1.53Å | Aromatic |
| C28 | C27 | sing | 1.47Å | 1.47Å | Aromatic |
| C06 | C05 | sing | 1.35Å | 1.35Å | |
| C31 | C34 | sing | 1.51Å | 1.51Å | Aromatic |
| C05 | C02 | sing | 1.57Å | 1.57Å | |
| C12 | O38 | doub | 1.21Å | 1.21Å | |
| C12 | N37 | sing | 1.43Å | 1.43Å | |
| N26 | C27 | sing | 1.45Å | 1.45Å | Aromatic |
| C27 | C29 | doub | 1.53Å | 1.53Å | Aromatic |
| C34 | C33 | doub | 1.52Å | 1.52Å | Aromatic |
| N37 | S39 | sing | 1.67Å | 1.67Å | |
| C29 | C33 | sing | 1.51Å | 1.51Å | Aromatic |
| C33 | O35 | sing | 1.40Å | 1.40Å | |
| O40 | S39 | doub | 1.45Å | 1.45Å | |
| S39 | O41 | doub | 1.47Å | 1.47Å | |
| S39 | C42 | sing | 1.78Å | 1.78Å | |
| O35 | C36 | sing | 1.41Å | 1.41Å | |
| C42 | C45 | sing | 1.53Å | 1.53Å | |
| C42 | C43 | sing | 1.53Å | 1.53Å | |
| C42 | C44 | sing | 1.52Å | 1.52Å | |
| C43 | C44 | sing | 1.53Å | 1.53Å | |
| C13 | H131 | sing | 1.10Å | 1.10Å | |
| C15 | H151 | sing | 1.10Å | 1.10Å | |
| C22 | H222 | sing | 1.10Å | 1.10Å | |
| C22 | H221 | sing | 1.10Å | 1.10Å | |
| C01 | H011 | sing | 1.10Å | 1.10Å | |
| C02 | H021 | sing | 1.10Å | 1.10Å | |
| C02 | H022 | sing | 1.10Å | 1.10Å | |
| C05 | H051 | sing | 1.10Å | 1.10Å | |
| C06 | H061 | sing | 1.10Å | 1.10Å | |
| C06 | H062 | sing | 1.10Å | 1.10Å | |
| C14 | H141 | sing | 1.10Å | 1.10Å | |
| C14 | H142 | sing | 1.10Å | 1.10Å | |
| C18 | H182 | sing | 1.10Å | 1.10Å | |
| C18 | H181 | sing | 1.10Å | 1.10Å | |
| C23 | H232 | sing | 1.10Å | 1.10Å | |
| C23 | H231 | sing | 1.10Å | 1.10Å | |
| C29 | H291 | sing | 1.08Å | 1.08Å | |
| C31 | H311 | sing | 1.08Å | 1.08Å | |
| C32 | H321 | sing | 1.10Å | 1.10Å | |
| C32 | H323 | sing | 1.10Å | 1.10Å | |
| C32 | H322 | sing | 1.10Å | 1.10Å | |
| C34 | H341 | sing | 1.08Å | 1.08Å | |
| C36 | H361 | sing | 1.10Å | 1.10Å | |
| C36 | H362 | sing | 1.10Å | 1.10Å | |
| C36 | H363 | sing | 1.10Å | 1.10Å | |
| C43 | H431 | sing | 1.10Å | 1.10Å | |
| C43 | H432 | sing | 1.10Å | 1.10Å | |
| C44 | H442 | sing | 1.10Å | 1.10Å | |
| C44 | H441 | sing | 1.10Å | 1.10Å | |
| C45 | H451 | sing | 1.10Å | 1.10Å | |
| C45 | H453 | sing | 1.10Å | 1.10Å | |
| C45 | H452 | sing | 1.10Å | 1.10Å | |
| C46 | H461 | sing | 1.08Å | 1.08Å | |
| C47 | H471 | sing | 1.08Å | 1.08Å | |
| C48 | H482 | sing | 1.10Å | 1.10Å | |
| C48 | H481 | sing | 1.10Å | 1.10Å | |
| C49 | H491 | sing | 1.10Å | 1.10Å | |
| C49 | H492 | sing | 1.10Å | 1.10Å | |
| C50 | H501 | sing | 1.10Å | 1.10Å | |
| C51 | H511 | sing | 1.10Å | 1.10Å | |
| C52 | H521 | sing | 1.10Å | 1.10Å | |
| C52 | H522 | sing | 1.10Å | 1.10Å | |
| C53 | H531 | sing | 1.10Å | 1.10Å | |
| C53 | H532 | sing | 1.10Å | 1.10Å | |
| C54 | H541 | sing | 1.10Å | 1.10Å | |
| C54 | H542 | sing | 1.10Å | 1.10Å | |
| N10 | H101 | sing | 1.00Å | 1.00Å | |
| N17 | H171 | sing | 1.00Å | 1.00Å | |
| N37 | H371 | sing | 1.00Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C52 | C53 | C54 | 106.6° | 106.6° |
| C53 | C52 | C51 | 103.2° | 103.2° |
| C53 | C52 | H521 | 111.0° | 111.0° |
| C53 | C52 | H522 | 111.0° | 111.0° |
| C52 | C53 | H531 | 110.2° | 110.2° |
| C52 | C53 | H532 | 110.2° | 110.2° |
| C53 | C54 | C50 | 110.0° | 110.0° |
| C54 | C53 | H531 | 110.2° | 110.2° |
| C54 | C53 | H532 | 110.2° | 110.2° |
| C53 | C54 | H541 | 109.4° | 109.4° |
| C53 | C54 | H542 | 109.3° | 109.3° |
| C52 | C51 | F55 | 108.6° | 108.6° |
| C52 | C51 | C50 | 108.2° | 108.2° |
| C52 | C51 | H511 | 108.6° | 108.6° |
| C51 | C52 | H521 | 111.0° | 111.0° |
| C51 | C52 | H522 | 111.0° | 111.0° |
| C54 | C50 | C51 | 102.0° | 102.0° |
| C54 | C50 | O20 | 110.5° | 110.5° |
| C54 | C50 | H501 | 107.0° | 107.0° |
| C50 | C54 | H541 | 109.3° | 109.3° |
| C50 | C54 | H542 | 109.4° | 109.4° |
| F55 | C51 | C50 | 105.6° | 105.6° |
| F55 | C51 | H511 | 112.3° | 112.3° |
| C51 | C50 | O20 | 114.1° | 114.1° |
| C51 | C50 | H501 | 112.1° | 112.1° |
| C50 | C51 | H511 | 113.4° | 113.4° |
| C50 | O20 | C19 | 116.5° | 116.5° |
| O20 | C50 | H501 | 110.6° | 110.6° |
| O20 | C19 | N17 | 115.3° | 115.3° |
| O20 | C19 | O21 | 124.0° | 124.0° |
| N17 | C19 | O21 | 120.8° | 120.8° |
| C19 | N17 | C15 | 120.4° | 120.4° |
| C19 | N17 | H171 | 119.8° | 119.8° |
| N17 | C15 | C18 | 107.3° | 107.3° |
| N17 | C15 | C08 | 109.3° | 109.3° |
| N17 | C15 | H151 | 111.5° | 111.5° |
| C15 | N17 | H171 | 119.8° | 119.8° |
| C32 | C25 | N30 | 120.0° | 120.0° |
| C32 | C25 | C24 | 120.9° | 120.9° |
| C25 | C32 | H321 | 109.5° | 109.5° |
| C25 | C32 | H323 | 109.4° | 109.4° |
| C25 | C32 | H322 | 109.5° | 109.5° |
| O16 | C08 | C15 | 120.4° | 120.4° |
| O16 | C08 | N03 | 119.8° | 119.8° |
| C18 | C15 | C08 | 108.8° | 108.8° |
| C15 | C18 | C22 | 112.8° | 112.8° |
| C18 | C15 | H151 | 109.9° | 109.9° |
| C15 | C18 | H182 | 108.6° | 108.6° |
| C15 | C18 | H181 | 108.6° | 108.6° |
| C15 | C08 | N03 | 119.8° | 119.8° |
| C08 | C15 | H151 | 109.9° | 109.9° |
| C18 | C22 | C23 | 107.9° | 107.9° |
| C18 | C22 | H222 | 109.9° | 109.9° |
| C18 | C22 | H221 | 109.9° | 109.9° |
| C22 | C18 | H182 | 108.7° | 108.7° |
| C22 | C18 | H181 | 108.7° | 108.7° |
| C08 | N03 | C01 | 126.7° | 126.7° |
| C08 | N03 | C06 | 125.4° | 125.4° |
| C13 | C14 | C11 | 60.7° | 60.7° |
| C14 | C13 | C46 | 114.8° | 114.8° |
| C14 | C13 | C11 | 60.5° | 60.5° |
| C14 | C13 | H131 | 113.8° | 113.8° |
| C13 | C14 | H141 | 119.9° | 119.9° |
| C13 | C14 | H142 | 119.9° | 119.9° |
| C14 | C11 | C13 | 58.8° | 58.8° |
| C14 | C11 | N10 | 126.3° | 126.3° |
| C14 | C11 | C12 | 103.9° | 103.9° |
| C11 | C14 | H141 | 119.9° | 119.9° |
| C11 | C14 | H142 | 119.9° | 119.9° |
| N30 | C25 | C24 | 119.1° | 119.1° |
| C25 | N30 | C28 | 117.7° | 117.7° |
| C25 | C24 | O07 | 117.4° | 117.4° |
| C25 | C24 | N26 | 122.6° | 122.6° |
| C46 | C13 | C11 | 129.7° | 129.7° |
| C13 | C46 | C47 | 123.0° | 123.0° |
| C46 | C13 | H131 | 113.1° | 113.1° |
| C13 | C46 | H461 | 118.5° | 118.5° |
| C13 | C11 | N10 | 120.2° | 120.2° |
| C13 | C11 | C12 | 115.3° | 115.3° |
| C11 | C13 | H131 | 113.3° | 113.3° |
| C47 | C48 | C49 | 110.9° | 110.9° |
| C48 | C47 | C46 | 122.4° | 122.4° |
| C48 | C47 | H471 | 118.8° | 118.8° |
| C47 | C48 | H482 | 109.1° | 109.1° |
| C47 | C48 | H481 | 109.1° | 109.1° |
| C48 | C49 | C23 | 114.4° | 114.4° |
| C49 | C48 | H482 | 109.1° | 109.1° |
| C49 | C48 | H481 | 109.2° | 109.2° |
| C48 | C49 | H491 | 108.2° | 108.2° |
| C48 | C49 | H492 | 108.3° | 108.3° |
| C47 | C46 | H461 | 118.5° | 118.5° |
| C46 | C47 | H471 | 118.8° | 118.8° |
| N30 | C28 | C31 | 117.8° | 117.8° |
| N30 | C28 | C27 | 122.7° | 122.7° |
| C01 | N03 | C06 | 107.8° | 107.8° |
| N03 | C01 | C04 | 102.5° | 102.5° |
| N03 | C01 | C02 | 105.5° | 105.5° |
| N03 | C01 | H011 | 112.0° | 112.0° |
| N03 | C06 | C05 | 99.2° | 99.2° |
| N03 | C06 | H061 | 112.0° | 112.0° |
| N03 | C06 | H062 | 112.0° | 112.0° |
| C24 | O07 | C05 | 113.9° | 113.9° |
| O07 | C24 | N26 | 120.0° | 120.0° |
| O07 | C05 | C06 | 103.8° | 103.8° |
| O07 | C05 | C02 | 111.9° | 111.9° |
| O07 | C05 | H051 | 112.2° | 112.2° |
| N10 | C11 | C12 | 118.4° | 118.4° |
| C11 | N10 | C04 | 117.8° | 117.8° |
| C11 | N10 | H101 | 121.1° | 121.1° |
| C11 | C12 | O38 | 121.4° | 121.4° |
| C11 | C12 | N37 | 118.0° | 118.0° |
| N10 | C04 | C01 | 115.1° | 115.1° |
| N10 | C04 | O09 | 122.8° | 122.8° |
| C04 | N10 | H101 | 121.2° | 121.2° |
| C22 | C23 | C49 | 112.4° | 112.4° |
| C23 | C22 | H222 | 109.9° | 109.9° |
| C23 | C22 | H221 | 109.9° | 109.9° |
| C22 | C23 | H232 | 108.7° | 108.7° |
| C22 | C23 | H231 | 108.7° | 108.7° |
| C49 | C23 | H232 | 108.7° | 108.7° |
| C49 | C23 | H231 | 108.7° | 108.7° |
| C23 | C49 | H491 | 108.2° | 108.2° |
| C23 | C49 | H492 | 108.2° | 108.2° |
| C24 | N26 | C27 | 118.0° | 118.0° |
| C04 | C01 | C02 | 117.2° | 117.2° |
| C01 | C04 | O09 | 121.9° | 121.9° |
| C04 | C01 | H011 | 109.8° | 109.8° |
| C01 | C02 | C05 | 97.4° | 97.4° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C01 | C02 | H021 | 112.4° | 112.4° |
| C01 | C02 | H022 | 112.4° | 112.4° |
| C31 | C28 | C27 | 119.4° | 119.4° |
| C28 | C31 | C34 | 119.0° | 119.0° |
| C28 | C31 | H311 | 120.5° | 120.5° |
| C28 | C27 | N26 | 119.8° | 119.8° |
| C28 | C27 | C29 | 122.4° | 122.4° |
| C06 | C05 | C02 | 104.1° | 104.1° |
| C06 | C05 | H051 | 113.9° | 113.9° |
| C05 | C06 | H061 | 112.0° | 112.0° |
| C05 | C06 | H062 | 112.0° | 112.0° |
| C31 | C34 | C33 | 121.0° | 121.0° |
| C34 | C31 | H311 | 120.5° | 120.5° |
| C31 | C34 | H341 | 119.5° | 119.5° |
| C05 | C02 | H021 | 112.4° | 112.4° |
| C05 | C02 | H022 | 112.4° | 112.4° |
| C02 | C05 | H051 | 110.5° | 110.5° |
| O38 | C12 | N37 | 120.6° | 120.6° |
| C12 | N37 | S39 | 115.8° | 115.8° |
| C12 | N37 | H371 | 122.1° | 122.1° |
| N26 | C27 | C29 | 117.8° | 117.8° |
| C27 | C29 | C33 | 118.2° | 118.2° |
| C27 | C29 | H291 | 120.9° | 120.9° |
| C34 | C33 | C29 | 120.0° | 120.0° |
| C34 | C33 | O35 | 122.2° | 122.2° |
| C33 | C34 | H341 | 119.5° | 119.5° |
| N37 | S39 | O40 | 111.8° | 111.8° |
| N37 | S39 | O41 | 110.6° | 110.6° |
| N37 | S39 | C42 | 103.7° | 103.7° |
| S39 | N37 | H371 | 122.1° | 122.1° |
| C29 | C33 | O35 | 117.8° | 117.8° |
| C33 | C29 | H291 | 120.9° | 120.9° |
| C33 | O35 | C36 | 118.1° | 118.1° |
| O40 | S39 | O41 | 108.7° | 108.7° |
| O40 | S39 | C42 | 111.7° | 111.7° |
| O41 | S39 | C42 | 110.2° | 110.2° |
| S39 | C42 | C45 | 118.0° | 118.0° |
| S39 | C42 | C43 | 115.4° | 115.4° |
| S39 | C42 | C44 | 112.1° | 112.1° |
| O35 | C36 | H361 | 109.5° | 109.5° |
| O35 | C36 | H362 | 109.5° | 109.5° |
| O35 | C36 | H363 | 109.5° | 109.5° |
| C45 | C42 | C43 | 118.8° | 118.8° |
| C45 | C42 | C44 | 119.3° | 119.3° |
| C42 | C45 | H451 | 109.5° | 109.5° |
| C42 | C45 | H453 | 109.5° | 109.5° |
| C42 | C45 | H452 | 109.5° | 109.5° |
| C43 | C42 | C44 | 60.2° | 60.2° |
| C42 | C43 | C44 | 59.6° | 59.6° |
| C42 | C43 | H431 | 120.1° | 120.1° |
| C42 | C43 | H432 | 120.0° | 120.0° |
| C42 | C44 | C43 | 60.2° | 60.2° |
| C42 | C44 | H442 | 120.0° | 120.0° |
| C42 | C44 | H441 | 120.0° | 120.0° |
| C44 | C43 | H431 | 120.1° | 120.1° |
| C44 | C43 | H432 | 120.1° | 120.1° |
| C43 | C44 | H442 | 120.0° | 120.0° |
| C43 | C44 | H441 | 120.0° | 120.0° |
| H222 | C22 | H221 | 109.5° | 109.5° |
| H021 | C02 | H022 | 109.5° | 109.5° |
| H061 | C06 | H062 | 109.4° | 109.4° |
| H141 | C14 | H142 | 109.5° | 109.5° |
| H182 | C18 | H181 | 109.5° | 109.5° |
| H232 | C23 | H231 | 109.4° | 109.5° |
| H321 | C32 | H323 | 109.5° | 109.5° |
| H321 | C32 | H322 | 109.5° | 109.5° |
| H323 | C32 | H322 | 109.5° | 109.5° |
| H361 | C36 | H362 | 109.4° | 109.4° |
| H361 | C36 | H363 | 109.5° | 109.5° |
| H362 | C36 | H363 | 109.5° | 109.5° |
| H431 | C43 | H432 | 109.5° | 109.5° |
| H442 | C44 | H441 | 109.5° | 109.5° |
| H451 | C45 | H453 | 109.4° | 109.4° |
| H451 | C45 | H452 | 109.4° | 109.4° |
| H453 | C45 | H452 | 109.5° | 109.5° |
| H482 | C48 | H481 | 109.5° | 109.4° |
| H491 | C49 | H492 | 109.5° | 109.5° |
| H521 | C52 | H522 | 109.5° | 109.5° |
| H531 | C53 | H532 | 109.5° | 109.5° |
| H541 | C54 | H542 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C52 | C53 | C54 | H531 | 119.5° | 119.5° |
| C52 | C53 | C54 | H532 | 119.5° | 119.5° |
| C53 | C52 | C51 | H521 | 119.0° | 119.0° |
| C53 | C52 | C51 | H522 | 119.0° | 119.0° |
| C52 | C53 | C54 | C50 | 3.7° | 3.7° |
| C53 | C52 | C51 | F55 | 83.3° | 83.3° |
| C53 | C52 | C51 | C50 | 30.8° | 30.8° |
| C53 | C52 | C51 | H511 | 154.3° | 154.3° |
| C53 | C52 | H521 | H522 | 122.9° | 122.9° |
| C52 | C53 | H531 | H532 | 121.3° | 121.4° |
| C52 | C53 | C54 | H541 | 116.4° | 116.4° |
| C52 | C53 | C54 | H542 | 123.8° | 123.8° |
| C54 | C53 | C52 | C51 | 13.5° | 13.5° |
| C53 | C54 | C50 | H541 | 120.1° | 120.1° |
| C53 | C54 | C50 | H542 | 120.1° | 120.1° |
| C53 | C54 | C50 | C51 | 23.6° | 23.6° |
| C53 | C54 | C50 | O20 | 98.1° | 98.1° |
| C53 | C54 | C50 | H501 | 141.5° | 141.5° |
| C54 | C53 | C52 | H521 | 105.5° | 105.5° |
| C54 | C53 | C52 | H522 | 132.5° | 132.4° |
| C54 | C53 | H531 | H532 | 121.4° | 121.3° |
| C53 | C54 | H541 | H542 | 119.8° | 119.8° |
| C52 | C51 | C50 | C54 | 31.0° | 31.0° |
| C52 | C51 | F55 | C50 | 115.8° | 115.8° |
| C52 | C51 | F55 | H511 | 120.1° | 120.1° |
| C52 | C51 | C50 | H511 | 120.5° | 120.5° |
| C52 | C51 | C50 | O20 | 88.2° | 88.2° |
| C52 | C51 | C50 | H501 | 145.1° | 145.1° |
| C51 | C52 | H521 | H522 | 122.9° | 122.9° |
| C51 | C52 | C53 | H531 | 106.0° | 106.0° |
| C51 | C52 | C53 | H532 | 133.0° | 133.0° |
| C54 | C50 | C51 | F55 | 85.2° | 85.2° |
| C54 | C50 | C51 | O20 | 119.2° | 119.2° |
| C54 | C50 | C51 | H501 | 114.1° | 114.1° |
| C54 | C50 | O20 | H501 | 118.3° | 118.3° |
| C54 | C50 | O20 | C19 | 157.8° | 157.8° |
| C54 | C50 | C51 | H511 | 151.5° | 151.5° |
| C50 | C54 | C53 | H531 | 123.2° | 123.2° |
| C50 | C54 | C53 | H532 | 115.8° | 115.9° |
| C50 | C54 | H541 | H542 | 119.8° | 119.8° |
| F55 | C51 | C50 | H511 | 123.4° | 123.4° |
| F55 | C51 | C50 | O20 | 155.7° | 155.7° |
| F55 | C51 | C50 | H501 | 28.9° | 28.9° |
| F55 | C51 | C52 | H521 | 157.7° | 157.7° |
| F55 | C51 | C52 | H522 | 35.7° | 35.7° |
| C51 | C50 | O20 | H501 | 127.5° | 127.5° |
| C51 | C50 | O20 | C19 | 88.0° | 88.0° |
| C50 | C51 | C52 | H521 | 88.2° | 88.2° |
| C50 | C51 | C52 | H522 | 149.8° | 149.8° |
| C51 | C50 | C54 | H541 | 96.4° | 96.4° |
| C51 | C50 | C54 | H542 | 143.7° | 143.7° |
| C50 | O20 | C19 | N17 | 175.3° | 175.3° |
| C50 | O20 | C19 | O21 | 5.8° | 5.8° |
| O20 | C50 | C51 | H511 | 32.3° | 32.3° |
| O20 | C50 | C54 | H541 | 141.9° | 141.9° |
| O20 | C50 | C54 | H542 | 22.0° | 22.0° |
| O20 | C19 | N17 | O21 | 178.9° | 178.9° |
| O20 | C19 | N17 | C15 | 174.6° | 174.6° |
| C19 | O20 | C50 | H501 | 39.5° | 39.5° |
| O20 | C19 | N17 | H171 | 5.4° | 5.4° |
| C19 | N17 | C15 | H171 | 180.0° | 180.0° |
| C19 | N17 | C15 | C18 | 163.5° | 163.5° |
| C19 | N17 | C15 | C08 | 78.6° | 78.6° |
| C19 | N17 | C15 | H151 | 43.1° | 43.1° |
| O21 | C19 | N17 | C15 | 4.4° | 4.4° |
| O21 | C19 | N17 | H171 | 175.6° | 175.6° |
| N17 | C15 | C08 | O16 | 57.9° | 57.9° |
| N17 | C15 | C18 | C08 | 118.2° | 118.2° |
| N17 | C15 | C18 | H151 | 121.4° | 121.4° |
| N17 | C15 | C08 | H151 | 122.7° | 122.7° |
| N17 | C15 | C18 | C22 | 177.5° | 177.5° |
| N17 | C15 | C08 | N03 | 122.7° | 122.7° |
| N17 | C15 | C18 | H182 | 62.0° | 62.0° |
| N17 | C15 | C18 | H181 | 57.0° | 57.0° |
| C32 | C25 | N30 | C24 | 179.1° | 179.1° |
| C32 | C25 | N30 | C28 | 178.7° | 178.7° |
| C32 | C25 | C24 | O07 | 1.8° | 1.8° |
| C32 | C25 | C24 | N26 | 179.7° | 179.7° |
| C25 | C32 | H321 | H323 | 120.0° | 120.0° |
| C25 | C32 | H321 | H322 | 120.0° | 120.0° |
| C25 | C32 | H323 | H322 | 120.0° | 120.0° |
| O16 | C08 | C15 | C18 | 58.9° | 58.9° |
| O16 | C08 | C15 | N03 | 179.4° | 179.4° |
| O16 | C08 | N03 | C01 | 3.2° | 3.2° |
| O16 | C08 | N03 | C06 | 179.5° | 179.5° |
| O16 | C08 | C15 | H151 | 179.4° | 179.4° |
| C18 | C15 | C08 | H151 | 120.5° | 120.5° |
| C15 | C18 | C22 | H182 | 120.5° | 120.5° |
| C15 | C18 | C22 | H181 | 120.5° | 120.5° |
| C18 | C15 | C08 | N03 | 120.5° | 120.5° |
| C15 | C18 | C22 | C23 | 166.3° | 166.3° |
| C15 | C18 | C22 | H222 | 46.5° | 46.5° |
| C15 | C18 | C22 | H221 | 73.9° | 73.9° |
| C15 | C18 | H182 | H181 | 118.5° | 118.5° |
| C18 | C15 | N17 | H171 | 16.4° | 16.4° |
| C08 | C15 | C18 | C22 | 59.3° | 59.3° |
| C15 | C08 | N03 | C01 | 176.2° | 176.2° |
| C15 | C08 | N03 | C06 | 0.1° | 0.1° |
| C08 | C15 | C18 | H182 | 179.8° | 179.8° |
| C08 | C15 | C18 | H181 | 61.2° | 61.2° |
| C08 | C15 | N17 | H171 | 101.4° | 101.4° |
| C18 | C22 | C23 | H222 | 119.8° | 119.8° |
| C18 | C22 | C23 | H221 | 119.7° | 119.7° |
| C18 | C22 | C23 | C49 | 102.9° | 102.9° |
| C22 | C18 | C15 | H151 | 61.1° | 61.1° |
| C18 | C22 | H222 | H221 | 120.7° | 120.7° |
| C22 | C18 | H182 | H181 | 118.5° | 118.5° |
| C18 | C22 | C23 | H232 | 136.7° | 136.7° |
| C18 | C22 | C23 | H231 | 17.6° | 17.5° |
| C08 | N03 | C01 | C06 | 176.8° | 176.8° |
| C08 | N03 | C01 | C04 | 43.9° | 43.9° |
| C08 | N03 | C01 | C02 | 167.1° | 167.1° |
| C08 | N03 | C06 | C05 | 160.3° | 160.3° |
| N03 | C08 | C15 | H151 | 0.0° | 0.0° |
| C08 | N03 | C01 | H011 | 73.8° | 73.8° |
| C08 | N03 | C06 | H061 | 41.9° | 41.9° |
| C08 | N03 | C06 | H062 | 81.4° | 81.4° |
| C13 | C14 | C11 | H141 | 109.7° | 109.7° |
| C13 | C14 | C11 | H142 | 109.6° | 109.6° |
| C14 | C13 | C46 | C11 | 71.3° | 71.3° |
| C14 | C13 | C46 | H131 | 132.9° | 132.9° |
| C14 | C13 | C11 | H131 | 105.2° | 105.2° |
| C14 | C13 | C46 | C47 | 179.0° | 179.0° |
| C13 | C14 | C11 | N10 | 106.5° | 106.5° |
| C13 | C14 | C11 | C12 | 111.4° | 111.4° |
| C13 | C14 | H141 | H142 | 144.3° | 144.3° |
| C14 | C13 | C46 | H461 | 1.0° | 1.0° |
| C14 | C11 | N10 | C12 | 137.4° | 137.4° |
| C14 | C11 | N10 | C04 | 142.3° | 142.3° |
| C14 | C11 | C12 | O38 | 29.3° | 29.3° |
| C14 | C11 | C12 | N37 | 149.2° | 149.2° |
| C11 | C14 | H141 | H142 | 144.4° | 144.4° |
| C14 | C11 | N10 | H101 | 37.7° | 37.7° |
| N30 | C25 | C24 | O07 | 179.1° | 179.1° |
| N30 | C25 | C24 | N26 | 0.5° | 0.5° |
| C25 | N30 | C28 | C31 | 179.8° | 179.8° |
| C25 | N30 | C28 | C27 | 1.7° | 1.7° |
| N30 | C25 | C32 | H321 | 0.0° | 0.0° |
| N30 | C25 | C32 | H323 | 120.0° | 120.0° |
| N30 | C25 | C32 | H322 | 120.0° | 120.0° |
| C24 | C25 | N30 | C28 | 0.4° | 0.4° |
| C25 | C24 | O07 | N26 | 178.6° | 178.6° |
| C25 | C24 | O07 | C05 | 172.3° | 172.3° |
| C25 | C24 | N26 | C27 | 0.2° | 0.2° |
| C24 | C25 | C32 | H321 | 179.1° | 179.1° |
| C24 | C25 | C32 | H323 | 59.1° | 59.1° |
| C24 | C25 | C32 | H322 | 60.9° | 60.9° |
| C46 | C13 | C11 | H131 | 155.8° | 155.8° |
| C13 | C46 | C47 | C48 | 5.9° | 5.9° |
| C13 | C46 | C47 | H461 | 180.0° | 180.0° |
| C46 | C13 | C11 | N10 | 144.3° | 144.3° |
| C46 | C13 | C11 | C12 | 7.7° | 7.7° |
| C46 | C13 | C14 | H141 | 13.5° | 13.5° |
| C46 | C13 | C14 | H142 | 127.2° | 127.2° |
| C13 | C46 | C47 | H471 | 174.1° | 174.1° |
| C11 | C13 | C46 | C47 | 107.8° | 107.8° |
| C13 | C11 | N10 | C12 | 151.2° | 151.2° |
| C13 | C11 | N10 | C04 | 70.8° | 70.8° |
| C13 | C11 | C12 | O38 | 32.4° | 32.4° |
| C13 | C11 | C12 | N37 | 149.1° | 149.1° |
| C11 | C13 | C46 | H461 | 72.2° | 72.2° |
| C13 | C11 | N10 | H101 | 109.2° | 109.2° |
| C47 | C48 | C49 | H482 | 120.2° | 120.2° |
| C47 | C48 | C49 | H481 | 120.2° | 120.2° |
| C48 | C47 | C46 | H471 | 180.0° | 180.0° |
| C47 | C48 | C49 | C23 | 171.7° | 171.7° |
| C48 | C47 | C46 | H461 | 174.1° | 174.1° |
| C47 | C48 | H482 | H481 | 119.3° | 119.3° |
| C47 | C48 | C49 | H491 | 51.0° | 51.0° |
| C47 | C48 | C49 | H492 | 67.6° | 67.6° |
| C49 | C48 | C47 | C46 | 135.3° | 135.3° |
| C48 | C49 | C23 | C22 | 59.2° | 59.2° |
| C48 | C49 | C23 | H491 | 120.7° | 120.7° |
| C48 | C49 | C23 | H492 | 120.7° | 120.7° |
| C48 | C49 | C23 | H232 | 179.6° | 179.6° |
| C48 | C49 | C23 | H231 | 61.3° | 61.2° |
| C49 | C48 | C47 | H471 | 44.7° | 44.7° |
| C49 | C48 | H482 | H481 | 119.4° | 119.4° |
| C48 | C49 | H491 | H492 | 117.8° | 117.8° |
| C47 | C46 | C13 | H131 | 48.1° | 48.1° |
| C46 | C47 | C48 | H482 | 15.1° | 15.1° |
| C46 | C47 | C48 | H481 | 104.5° | 104.5° |
| N30 | C28 | C31 | C27 | 178.1° | 178.1° |
| N30 | C28 | C31 | C34 | 179.0° | 179.0° |
| N30 | C28 | C27 | N26 | 2.0° | 2.0° |
| N30 | C28 | C27 | C29 | 178.9° | 178.9° |
| N30 | C28 | C31 | H311 | 1.0° | 1.0° |
| N03 | C01 | C04 | N10 | 130.2° | 130.2° |
| N03 | C01 | C04 | C02 | 115.0° | 115.0° |
| N03 | C01 | C04 | H011 | 119.2° | 119.2° |
| N03 | C01 | C02 | H011 | 120.7° | 120.7° |
| N03 | C01 | C04 | O09 | 44.6° | 44.6° |
| C01 | N03 | C06 | C05 | 22.9° | 22.9° |
| N03 | C01 | C02 | C05 | 34.2° | 34.2° |
| N03 | C01 | C02 | H021 | 83.8° | 83.9° |
| N03 | C01 | C02 | H022 | 152.1° | 152.1° |
| C01 | N03 | C06 | H061 | 141.2° | 141.2° |
| C01 | N03 | C06 | H062 | 95.4° | 95.4° |
| N03 | C06 | C05 | O07 | 72.7° | 72.7° |
| C06 | N03 | C01 | C04 | 132.9° | 132.9° |
| C06 | N03 | C01 | C02 | 9.7° | 9.7° |
| N03 | C06 | C05 | H061 | 118.3° | 118.3° |
| N03 | C06 | C05 | H062 | 118.3° | 118.3° |
| N03 | C06 | C05 | C02 | 44.6° | 44.6° |
| C06 | N03 | C01 | H011 | 109.4° | 109.4° |
| N03 | C06 | C05 | H051 | 165.0° | 165.0° |
| N03 | C06 | H061 | H062 | 124.8° | 124.8° |
| C24 | O07 | C05 | C06 | 162.7° | 162.7° |
| C24 | O07 | C05 | C02 | 85.6° | 85.6° |
| O07 | C24 | N26 | C27 | 178.7° | 178.7° |
| C24 | O07 | C05 | H051 | 39.2° | 39.2° |
| C05 | O07 | C24 | N26 | 9.1° | 9.1° |
| O07 | C05 | C02 | C01 | 59.8° | 59.8° |
| O07 | C05 | C06 | C02 | 117.3° | 117.3° |
| O07 | C05 | C06 | H051 | 122.3° | 122.3° |
| O07 | C05 | C02 | H051 | 125.8° | 125.8° |
| O07 | C05 | C02 | H021 | 177.8° | 177.7° |
| O07 | C05 | C02 | H022 | 58.2° | 58.2° |
| O07 | C05 | C06 | H061 | 45.7° | 45.7° |
| O07 | C05 | C06 | H062 | 169.0° | 169.0° |
| C11 | N10 | C04 | H101 | 180.0° | 180.0° |
| C11 | N10 | C04 | C01 | 170.6° | 170.6° |
| C11 | N10 | C04 | O09 | 4.2° | 4.2° |
| N10 | C11 | C12 | O38 | 175.0° | 175.0° |
| N10 | C11 | C12 | N37 | 3.5° | 3.5° |
| N10 | C11 | C13 | H131 | 11.5° | 11.5° |
| N10 | C11 | C14 | H141 | 143.9° | 143.9° |
| N10 | C11 | C14 | H142 | 3.2° | 3.2° |
| C12 | C11 | N10 | C04 | 80.3° | 80.3° |
| C11 | C12 | O38 | N37 | 178.4° | 178.4° |
| C11 | C12 | N37 | S39 | 179.8° | 179.8° |
| C12 | C11 | C13 | H131 | 163.5° | 163.5° |
| C12 | C11 | C14 | H141 | 1.7° | 1.7° |
| C12 | C11 | C14 | H142 | 139.0° | 139.0° |
| C12 | C11 | N10 | H101 | 99.7° | 99.7° |
| C11 | C12 | N37 | H371 | 0.2° | 0.2° |
| N10 | C04 | C01 | O09 | 174.9° | 174.9° |
| N10 | C04 | C01 | C02 | 114.8° | 114.8° |
| N10 | C04 | C01 | H011 | 11.0° | 11.0° |
| C22 | C23 | C49 | H232 | 120.4° | 120.4° |
| C22 | C23 | C49 | H231 | 120.5° | 120.4° |
| C23 | C22 | H222 | H221 | 120.7° | 120.7° |
| C23 | C22 | C18 | H182 | 73.2° | 73.2° |
| C23 | C22 | C18 | H181 | 45.8° | 45.8° |
| C22 | C23 | H232 | H231 | 118.6° | 118.7° |
| C22 | C23 | C49 | H491 | 179.9° | 179.9° |
| C22 | C23 | C49 | H492 | 61.5° | 61.5° |
| C49 | C23 | C22 | H222 | 16.9° | 16.9° |
| C49 | C23 | C22 | H221 | 137.4° | 137.4° |
| C49 | C23 | H232 | H231 | 118.7° | 118.6° |
| C23 | C49 | C48 | H482 | 68.1° | 68.1° |
| C23 | C49 | C48 | H481 | 51.5° | 51.5° |
| C23 | C49 | H491 | H492 | 117.8° | 117.8° |
| C24 | N26 | C27 | C28 | 1.0° | 1.0° |
| C24 | N26 | C27 | C29 | 179.9° | 179.9° |
| C04 | C01 | C02 | H011 | 126.0° | 126.0° |
| C04 | C01 | C02 | C05 | 147.4° | 147.4° |
| C04 | C01 | C02 | H021 | 29.5° | 29.4° |
| C04 | C01 | C02 | H022 | 94.6° | 94.6° |
| C01 | C04 | N10 | H101 | 9.4° | 9.4° |
| C02 | C01 | C04 | O09 | 70.3° | 70.3° |
| C01 | C02 | C05 | C06 | 51.7° | 51.7° |
| C01 | C02 | C05 | H021 | 118.0° | 118.0° |
| C01 | C02 | C05 | H022 | 118.0° | 118.0° |
| C01 | C02 | H021 | H022 | 125.7° | 125.7° |
| C01 | C02 | C05 | H051 | 174.4° | 174.4° |
| O09 | C04 | C01 | H011 | 163.8° | 163.8° |
| O09 | C04 | N10 | H101 | 175.8° | 175.8° |
| C28 | C31 | C34 | H311 | 180.0° | 180.0° |
| C31 | C28 | C27 | N26 | 179.9° | 179.9° |
| C31 | C28 | C27 | C29 | 0.9° | 0.9° |
| C28 | C31 | C34 | C33 | 0.1° | 0.1° |
| C28 | C31 | C34 | H341 | 179.8° | 179.8° |
| C27 | C28 | C31 | C34 | 0.9° | 0.9° |
| C28 | C27 | N26 | C29 | 179.1° | 179.1° |
| C28 | C27 | C29 | C33 | 0.1° | 0.1° |
| C28 | C27 | C29 | H291 | 179.8° | 179.8° |
| C27 | C28 | C31 | H311 | 179.1° | 179.1° |
| C06 | C05 | C02 | H051 | 122.7° | 122.7° |
| C06 | C05 | C02 | H021 | 66.3° | 66.2° |
| C06 | C05 | C02 | H022 | 169.7° | 169.7° |
| C05 | C06 | H061 | H062 | 124.8° | 124.8° |
| C31 | C34 | C33 | H341 | 180.0° | 180.0° |
| C31 | C34 | C33 | C29 | 0.6° | 0.6° |
| C31 | C34 | C33 | O35 | 179.5° | 179.5° |
| C05 | C02 | C01 | H011 | 86.6° | 86.6° |
| C05 | C02 | H021 | H022 | 125.6° | 125.6° |
| C02 | C05 | C06 | H061 | 162.9° | 162.9° |
| C02 | C05 | C06 | H062 | 73.7° | 73.7° |
| O38 | C12 | N37 | S39 | 1.3° | 1.3° |
| O38 | C12 | N37 | H371 | 178.7° | 178.7° |
| C12 | N37 | S39 | H371 | 180.0° | 180.0° |
| C12 | N37 | S39 | O40 | 66.3° | 66.3° |
| C12 | N37 | S39 | O41 | 55.0° | 55.0° |
| C12 | N37 | S39 | C42 | 173.1° | 173.1° |
| N26 | C27 | C29 | C33 | 179.2° | 179.2° |
| N26 | C27 | C29 | H291 | 0.8° | 0.8° |
| C27 | C29 | C33 | C34 | 0.6° | 0.6° |
| C27 | C29 | C33 | H291 | 180.0° | 180.0° |
| C27 | C29 | C33 | O35 | 179.5° | 179.5° |
| C34 | C33 | C29 | O35 | 178.9° | 178.9° |
| C34 | C33 | O35 | C36 | 176.4° | 176.4° |
| C34 | C33 | C29 | H291 | 179.4° | 179.4° |
| C33 | C34 | C31 | H311 | 179.9° | 179.9° |
| N37 | S39 | O40 | O41 | 122.4° | 122.4° |
| N37 | S39 | O40 | C42 | 115.7° | 115.7° |
| N37 | S39 | O41 | C42 | 114.1° | 114.1° |
| N37 | S39 | C42 | C45 | 57.0° | 57.0° |
| N37 | S39 | C42 | C43 | 92.0° | 92.0° |
| N37 | S39 | C42 | C44 | 158.4° | 158.4° |
| C29 | C33 | O35 | C36 | 4.8° | 4.8° |
| C29 | C33 | C34 | H341 | 179.4° | 179.4° |
| O35 | C33 | C29 | H291 | 0.5° | 0.5° |
| O35 | C33 | C34 | H341 | 0.6° | 0.6° |
| C33 | O35 | C36 | H361 | 180.0° | 180.0° |
| C33 | O35 | C36 | H362 | 60.0° | 60.0° |
| C33 | O35 | C36 | H363 | 60.0° | 60.0° |
| O40 | S39 | O41 | C42 | 122.8° | 122.8° |
| O40 | S39 | C42 | C45 | 177.5° | 177.5° |
| O40 | S39 | C42 | C43 | 28.5° | 28.5° |
| O40 | S39 | C42 | C44 | 37.9° | 37.9° |
| O40 | S39 | N37 | H371 | 113.7° | 113.7° |
| O41 | S39 | C42 | C45 | 61.5° | 61.5° |
| O41 | S39 | C42 | C43 | 149.5° | 149.5° |
| O41 | S39 | C42 | C44 | 83.1° | 83.1° |
| O41 | S39 | N37 | H371 | 125.0° | 125.0° |
| S39 | C42 | C45 | C43 | 147.9° | 147.9° |
| S39 | C42 | C45 | C44 | 142.0° | 142.0° |
| S39 | C42 | C43 | C44 | 102.0° | 102.0° |
| S39 | C42 | C43 | H431 | 7.4° | 7.4° |
| S39 | C42 | C43 | H432 | 148.6° | 148.6° |
| S39 | C42 | C44 | H442 | 143.0° | 143.0° |
| S39 | C42 | C44 | H441 | 2.0° | 2.0° |
| S39 | C42 | C45 | H451 | 180.0° | 180.0° |
| S39 | C42 | C45 | H453 | 60.0° | 60.0° |
| S39 | C42 | C45 | H452 | 60.0° | 60.0° |
| C42 | S39 | N37 | H371 | 6.9° | 6.9° |
| O35 | C36 | H361 | H362 | 120.0° | 120.0° |
| O35 | C36 | H361 | H363 | 120.0° | 120.0° |
| O35 | C36 | H362 | H363 | 120.0° | 120.0° |
| C45 | C42 | C43 | C44 | 109.2° | 109.2° |
| C45 | C42 | C43 | H431 | 141.4° | 141.4° |
| C45 | C42 | C43 | H432 | 0.2° | 0.2° |
| C45 | C42 | C44 | H442 | 1.1° | 1.1° |
| C45 | C42 | C44 | H441 | 142.1° | 142.1° |
| C42 | C45 | H451 | H453 | 120.0° | 120.0° |
| C42 | C45 | H451 | H452 | 120.0° | 120.0° |
| C42 | C45 | H453 | H452 | 120.0° | 120.0° |
| C42 | C43 | C44 | H431 | 109.4° | 109.4° |
| C42 | C43 | C44 | H432 | 109.3° | 109.3° |
| C42 | C43 | H431 | H432 | 144.9° | 144.9° |
| C43 | C42 | C44 | H442 | 109.5° | 109.5° |
| C43 | C42 | C44 | H441 | 109.5° | 109.5° |
| C43 | C42 | C45 | H451 | 32.1° | 32.1° |
| C43 | C42 | C45 | H453 | 87.9° | 87.9° |
| C43 | C42 | C45 | H452 | 152.1° | 152.1° |
| C42 | C44 | H442 | H441 | 144.7° | 144.7° |
| C44 | C42 | C45 | H451 | 38.0° | 38.0° |
| C44 | C42 | C45 | H453 | 158.0° | 158.0° |
| C44 | C42 | C45 | H452 | 82.0° | 82.0° |
| C44 | C43 | H431 | H432 | 145.0° | 145.0° |
| C43 | C44 | H442 | H441 | 144.6° | 144.6° |
| H131 | C13 | C14 | H141 | 146.0° | 146.0° |
| H131 | C13 | C14 | H142 | 5.4° | 5.4° |
| H131 | C13 | C46 | H461 | 131.9° | 131.9° |
| H151 | C15 | C18 | H182 | 59.4° | 59.4° |
| H151 | C15 | C18 | H181 | 178.4° | 178.4° |
| H151 | C15 | N17 | H171 | 136.8° | 136.8° |
| H222 | C22 | C18 | H182 | 167.0° | 167.0° |
| H222 | C22 | C18 | H181 | 73.9° | 73.9° |
| H222 | C22 | C23 | H232 | 103.5° | 103.5° |
| H222 | C22 | C23 | H231 | 137.4° | 137.3° |
| H221 | C22 | C18 | H182 | 46.5° | 46.5° |
| H221 | C22 | C18 | H181 | 165.6° | 165.6° |
| H221 | C22 | C23 | H232 | 16.9° | 16.9° |
| H221 | C22 | C23 | H231 | 102.1° | 102.2° |
| H011 | C01 | C02 | H021 | 155.4° | 155.4° |
| H011 | C01 | C02 | H022 | 31.4° | 31.4° |
| H021 | C02 | C05 | H051 | 56.4° | 56.5° |
| H022 | C02 | C05 | H051 | 67.6° | 67.6° |
| H051 | C05 | C06 | H061 | 76.7° | 76.7° |
| H051 | C05 | C06 | H062 | 46.7° | 46.7° |
| H232 | C23 | C49 | H491 | 59.7° | 59.7° |
| H232 | C23 | C49 | H492 | 58.9° | 58.9° |
| H231 | C23 | C49 | H491 | 59.4° | 59.5° |
| H231 | C23 | C49 | H492 | 178.0° | 178.0° |
| H311 | C31 | C34 | H341 | 0.2° | 0.2° |
| H321 | C32 | H323 | H322 | 120.0° | 120.0° |
| H361 | C36 | H362 | H363 | 120.0° | 120.0° |
| H431 | C43 | C44 | H442 | 141.1° | 141.1° |
| H431 | C43 | C44 | H441 | 0.2° | 0.2° |
| H432 | C43 | C44 | H442 | 0.2° | 0.2° |
| H432 | C43 | C44 | H441 | 141.1° | 141.1° |
| H451 | C45 | H453 | H452 | 120.0° | 120.0° |
| H461 | C46 | C47 | H471 | 5.9° | 5.9° |
| H471 | C47 | C48 | H482 | 164.9° | 164.9° |
| H471 | C47 | C48 | H481 | 75.6° | 75.6° |
| H482 | C48 | C49 | H491 | 171.2° | 171.2° |
| H482 | C48 | C49 | H492 | 52.6° | 52.6° |
| H481 | C48 | C49 | H491 | 69.2° | 69.2° |
| H481 | C48 | C49 | H492 | 172.2° | 172.2° |
| H501 | C50 | C51 | H511 | 94.4° | 94.4° |
| H501 | C50 | C54 | H541 | 21.4° | 21.4° |
| H501 | C50 | C54 | H542 | 98.4° | 98.4° |
| H511 | C51 | C52 | H521 | 35.3° | 35.3° |
| H511 | C51 | C52 | H522 | 86.8° | 86.7° |
| H521 | C52 | C53 | H531 | 135.0° | 135.0° |
| H521 | C52 | C53 | H532 | 14.0° | 14.0° |
| H522 | C52 | C53 | H531 | 13.0° | 12.9° |
| H522 | C52 | C53 | H532 | 108.0° | 108.1° |
| H531 | C53 | C54 | H541 | 3.1° | 3.1° |
| H531 | C53 | C54 | H542 | 116.7° | 116.7° |
| H532 | C53 | C54 | H541 | 124.1° | 124.1° |
| H532 | C53 | C54 | H542 | 4.3° | 4.2° |
