FH1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C41 | O40 | sing | 1.43Å | 1.42Å | |
| C53 | C48 | sing | 1.53Å | 1.53Å | |
| C27 | C24 | sing | 1.53Å | 1.54Å | |
| C50 | C48 | sing | 1.53Å | 1.53Å | |
| C50 | C49 | sing | 1.53Å | 1.52Å | |
| C26 | C24 | sing | 1.53Å | 1.54Å | |
| O40 | C36 | sing | 1.36Å | 1.36Å | |
| C48 | C49 | sing | 1.53Å | 1.51Å | |
| C48 | S45 | sing | 1.81Å | 1.79Å | |
| C37 | C36 | doub | 1.37Å | 1.52Å | Aromatic |
| C37 | C38 | sing | 1.40Å | 1.51Å | Aromatic |
| C04 | C02 | sing | 1.55Å | 1.61Å | |
| C04 | N14 | sing | 1.47Å | 1.34Å | |
| C24 | C16 | sing | 1.53Å | 1.54Å | |
| C24 | C25 | sing | 1.53Å | 1.54Å | |
| O47 | S45 | doub | 1.42Å | 1.47Å | |
| C36 | C35 | sing | 1.40Å | 1.50Å | Aromatic |
| C02 | C03 | sing | 1.55Å | 1.33Å | |
| C02 | O28 | sing | 1.43Å | 1.46Å | |
| O12 | C11 | doub | 1.21Å | 1.20Å | |
| C03 | C13 | sing | 1.54Å | 1.55Å | |
| N39 | C38 | doub | 1.34Å | 1.43Å | Aromatic |
| N39 | C29 | sing | 1.32Å | 1.42Å | Aromatic |
| S45 | N44 | sing | 1.66Å | 1.63Å | |
| S45 | O46 | doub | 1.42Å | 1.46Å | |
| C16 | C01 | sing | 1.51Å | 1.53Å | |
| C16 | N17 | sing | 1.47Å | 1.41Å | |
| C38 | C33 | sing | 1.42Å | 1.49Å | Aromatic |
| N14 | C01 | sing | 1.35Å | 1.46Å | |
| N14 | C13 | sing | 1.47Å | 1.53Å | |
| O28 | C29 | sing | 1.36Å | 1.38Å | |
| N44 | C42 | sing | 1.35Å | 1.43Å | |
| C01 | O15 | doub | 1.21Å | 1.20Å | |
| C11 | C13 | sing | 1.51Å | 1.48Å | |
| C11 | N10 | sing | 1.35Å | 1.45Å | |
| C35 | C34 | doub | 1.36Å | 1.48Å | Aromatic |
| C29 | C30 | doub | 1.40Å | 1.50Å | Aromatic |
| O19 | C18 | doub | 1.21Å | 1.18Å | |
| N17 | C18 | sing | 1.35Å | 1.43Å | |
| C05 | C06 | doub | 1.31Å | 1.35Å | |
| C33 | C34 | sing | 1.41Å | 1.53Å | Aromatic |
| C33 | N32 | doub | 1.34Å | 1.44Å | Aromatic |
| C18 | O20 | sing | 1.35Å | 1.37Å | |
| C42 | O43 | doub | 1.21Å | 1.18Å | |
| C42 | C09 | sing | 1.51Å | 1.48Å | |
| N10 | C09 | sing | 1.46Å | 1.44Å | |
| C06 | C07 | sing | 1.51Å | 1.55Å | |
| C30 | N32 | sing | 1.31Å | 1.41Å | Aromatic |
| C30 | C31 | sing | 1.51Å | 1.51Å | |
| C09 | C07 | sing | 1.53Å | 1.54Å | |
| C09 | C08 | sing | 1.53Å | 1.53Å | |
| C07 | C08 | sing | 1.53Å | 1.51Å | |
| O20 | C21 | sing | 1.45Å | 1.32Å | |
| C21 | C23 | sing | 1.54Å | 1.55Å | |
| C21 | C22 | sing | 1.54Å | 1.60Å | |
| C23 | C52 | sing | 1.54Å | 1.38Å | |
| C22 | C51 | sing | 1.55Å | 1.36Å | |
| C52 | C51 | sing | 1.55Å | 1.63Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C26 | H263 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.08Å | 1.08Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C25 | H253 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H273 | sing | 1.09Å | 1.10Å | |
| C31 | H313 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.08Å | 1.08Å | |
| C35 | H351 | sing | 1.08Å | 1.08Å | |
| C37 | H371 | sing | 1.08Å | 1.08Å | |
| C41 | H412 | sing | 1.09Å | 1.10Å | |
| C41 | H411 | sing | 1.09Å | 1.10Å | |
| C41 | H413 | sing | 1.09Å | 1.10Å | |
| C49 | H491 | sing | 1.09Å | 1.10Å | |
| C49 | H492 | sing | 1.09Å | 1.10Å | |
| C50 | H501 | 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 | H522 | sing | 1.09Å | 1.10Å | |
| C52 | H521 | sing | 1.09Å | 1.10Å | |
| C53 | H531 | sing | 1.09Å | 1.10Å | |
| C53 | H532 | sing | 1.09Å | 1.10Å | |
| C53 | H533 | sing | 1.09Å | 1.10Å | |
| N10 | H101 | sing | 0.97Å | 1.00Å | |
| N17 | H171 | sing | 0.97Å | 1.00Å | |
| N44 | H441 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C41 | O40 | C36 | 115.3° | 117.0° |
| O40 | C41 | H412 | 109.5° | 109.5° |
| O40 | C41 | H411 | 109.5° | 109.5° |
| O40 | C41 | H413 | 109.5° | 109.5° |
| C53 | C48 | C50 | 121.6° | 117.5° |
| C53 | C48 | C49 | 119.1° | 117.5° |
| C53 | C48 | S45 | 116.3° | 115.6° |
| C48 | C53 | H531 | 109.5° | 109.5° |
| C48 | C53 | H532 | 109.5° | 109.4° |
| C48 | C53 | H533 | 109.5° | 109.5° |
| C27 | C24 | C26 | 107.2° | 109.4° |
| C27 | C24 | C16 | 114.5° | 109.5° |
| C27 | C24 | C25 | 106.7° | 109.5° |
| C24 | C27 | H272 | 109.5° | 109.4° |
| C24 | C27 | H271 | 109.5° | 109.5° |
| C24 | C27 | H273 | 109.5° | 109.5° |
| C48 | C50 | C49 | 59.4° | 60.0° |
| C50 | C48 | C49 | 60.0° | 60.0° |
| C50 | C48 | S45 | 113.6° | 117.5° |
| C48 | C50 | H501 | 120.1° | 117.5° |
| C48 | C50 | H502 | 120.1° | 117.5° |
| C50 | C49 | C48 | 60.6° | 60.0° |
| C50 | C49 | H491 | 119.9° | 117.5° |
| C50 | C49 | H492 | 119.9° | 117.5° |
| C49 | C50 | H501 | 120.1° | 117.5° |
| C49 | C50 | H502 | 120.1° | 117.5° |
| C26 | C24 | C16 | 104.4° | 109.5° |
| C26 | C24 | C25 | 111.0° | 109.5° |
| C24 | C26 | H261 | 109.5° | 109.5° |
| C24 | C26 | H262 | 109.5° | 109.5° |
| C24 | C26 | H263 | 109.4° | 109.5° |
| O40 | C36 | C37 | 121.7° | 119.6° |
| O40 | C36 | C35 | 114.3° | 119.6° |
| C49 | C48 | S45 | 114.4° | 117.5° |
| C48 | C49 | H491 | 119.9° | 117.6° |
| C48 | C49 | H492 | 119.9° | 117.5° |
| C48 | S45 | O47 | 103.6° | 110.5° |
| C48 | S45 | N44 | 106.7° | 104.4° |
| C48 | S45 | O46 | 110.2° | 110.5° |
| C36 | C37 | C38 | 114.5° | 119.7° |
| C37 | C36 | C35 | 123.9° | 120.8° |
| C36 | C37 | H371 | 122.7° | 120.2° |
| C37 | C38 | N39 | 116.2° | 121.0° |
| C37 | C38 | C33 | 122.1° | 119.4° |
| C38 | C37 | H371 | 122.8° | 120.1° |
| C02 | C04 | N14 | 101.0° | 104.8° |
| C04 | C02 | C03 | 105.3° | 101.6° |
| C04 | C02 | O28 | 97.9° | 111.0° |
| C04 | C02 | H021 | 110.0° | 111.0° |
| C02 | C04 | H041 | 111.6° | 110.4° |
| C02 | C04 | H042 | 111.5° | 110.3° |
| C04 | N14 | C01 | 128.6° | 125.6° |
| C04 | N14 | C13 | 111.3° | 108.7° |
| N14 | C04 | H041 | 111.5° | 110.4° |
| N14 | C04 | H042 | 111.5° | 110.4° |
| C16 | C24 | C25 | 113.0° | 109.5° |
| C24 | C16 | C01 | 108.0° | 109.5° |
| C24 | C16 | N17 | 112.4° | 109.5° |
| C24 | C16 | H161 | 108.7° | 109.4° |
| C24 | C25 | H253 | 109.5° | 109.5° |
| C24 | C25 | H251 | 109.5° | 109.5° |
| C24 | C25 | H252 | 109.5° | 109.5° |
| O47 | S45 | N44 | 107.2° | 104.3° |
| O47 | S45 | O46 | 110.1° | 121.1° |
| C36 | C35 | C34 | 120.8° | 120.9° |
| C36 | C35 | H351 | 119.6° | 119.6° |
| C03 | C02 | O28 | 115.4° | 111.0° |
| C02 | C03 | C13 | 102.9° | 102.9° |
| C03 | C02 | H021 | 114.5° | 111.0° |
| C02 | C03 | H032 | 111.1° | 110.7° |
| C02 | C03 | H031 | 111.1° | 110.7° |
| C02 | O28 | C29 | 113.0° | 117.0° |
| O28 | C02 | H021 | 112.1° | 110.9° |
| O12 | C11 | C13 | 124.5° | 120.0° |
| O12 | C11 | N10 | 119.9° | 120.0° |
| C03 | C13 | N14 | 101.7° | 107.3° |
| C03 | C13 | C11 | 118.8° | 109.9° |
| C03 | C13 | H131 | 109.7° | 109.9° |
| C13 | C03 | H032 | 111.1° | 110.7° |
| C13 | C03 | H031 | 111.1° | 110.7° |
| C38 | N39 | C29 | 115.8° | 119.7° |
| N39 | C38 | C33 | 121.7° | 119.7° |
| N39 | C29 | O28 | 118.8° | 119.7° |
| N39 | C29 | C30 | 123.2° | 120.5° |
| N44 | S45 | O46 | 118.0° | 104.3° |
| S45 | N44 | C42 | 113.4° | 120.0° |
| S45 | N44 | H441 | 123.3° | 120.0° |
| C01 | C16 | N17 | 108.5° | 109.5° |
| C16 | C01 | N14 | 116.6° | 120.0° |
| C16 | C01 | O15 | 122.2° | 120.0° |
| C01 | C16 | H161 | 108.8° | 109.5° |
| C16 | N17 | C18 | 116.9° | 120.0° |
| N17 | C16 | H161 | 110.4° | 109.5° |
| C16 | N17 | H171 | 121.6° | 120.0° |
| C38 | C33 | C34 | 122.0° | 119.4° |
| C38 | C33 | N32 | 121.5° | 119.6° |
| C01 | N14 | C13 | 120.2° | 125.6° |
| N14 | C01 | O15 | 121.2° | 120.0° |
| N14 | C13 | C11 | 105.1° | 110.0° |
| N14 | C13 | H131 | 110.0° | 109.9° |
| O28 | C29 | C30 | 118.0° | 119.8° |
| N44 | C42 | O43 | 123.7° | 120.0° |
| N44 | C42 | C09 | 112.8° | 120.0° |
| C42 | N44 | H441 | 123.3° | 120.0° |
| C13 | C11 | N10 | 115.6° | 120.0° |
| C11 | C13 | H131 | 110.7° | 109.9° |
| C11 | N10 | C09 | 125.7° | 120.0° |
| C11 | N10 | H101 | 117.1° | 120.0° |
| C35 | C34 | C33 | 116.7° | 119.8° |
| C35 | C34 | H341 | 121.7° | 120.1° |
| C34 | C35 | H351 | 119.6° | 119.5° |
| C29 | C30 | N32 | 120.4° | 120.7° |
| C29 | C30 | C31 | 120.3° | 119.6° |
| O19 | C18 | N17 | 123.3° | 120.0° |
| O19 | C18 | O20 | 123.3° | 120.0° |
| N17 | C18 | O20 | 113.4° | 119.9° |
| C18 | N17 | H171 | 121.6° | 120.1° |
| C05 | C06 | C07 | 118.3° | 120.0° |
| C06 | C05 | H052 | 120.0° | 120.1° |
| C06 | C05 | H051 | 120.0° | 120.0° |
| C05 | C06 | H061 | 120.8° | 120.0° |
| C34 | C33 | N32 | 116.6° | 121.0° |
| C33 | C34 | H341 | 121.6° | 120.1° |
| C33 | N32 | C30 | 117.4° | 119.9° |
| C18 | O20 | C21 | 116.6° | 117.0° |
| O43 | C42 | C09 | 123.5° | 120.0° |
| C42 | C09 | N10 | 123.3° | 115.6° |
| C42 | C09 | C07 | 119.3° | 117.5° |
| C42 | C09 | C08 | 113.1° | 117.5° |
| N10 | C09 | C07 | 112.1° | 117.5° |
| N10 | C09 | C08 | 112.5° | 117.5° |
| C09 | N10 | H101 | 117.2° | 120.0° |
| C06 | C07 | C09 | 118.4° | 117.5° |
| C06 | C07 | C08 | 118.6° | 117.5° |
| C07 | C06 | H061 | 120.9° | 120.0° |
| C06 | C07 | H071 | 115.9° | 115.5° |
| N32 | C30 | C31 | 119.2° | 119.7° |
| C30 | C31 | H313 | 109.5° | 109.5° |
| C30 | C31 | H311 | 109.5° | 109.5° |
| C30 | C31 | H312 | 109.5° | 109.5° |
| C07 | C09 | C08 | 59.3° | 60.0° |
| C09 | C07 | C08 | 60.0° | 60.0° |
| C09 | C07 | H071 | 116.0° | 117.5° |
| C09 | C08 | C07 | 60.8° | 60.0° |
| C09 | C08 | H081 | 119.9° | 117.5° |
| C09 | C08 | H082 | 119.9° | 117.5° |
| C08 | C07 | H071 | 116.5° | 117.5° |
| C07 | C08 | H081 | 119.9° | 117.5° |
| C07 | C08 | H082 | 119.9° | 117.5° |
| O20 | C21 | C23 | 108.5° | 110.1° |
| O20 | C21 | C22 | 106.7° | 110.0° |
| O20 | C21 | H211 | 115.3° | 110.1° |
| C23 | C21 | C22 | 103.7° | 106.6° |
| C21 | C23 | C52 | 107.2° | 106.6° |
| C23 | C21 | H211 | 111.3° | 110.0° |
| C21 | C23 | H231 | 110.0° | 110.1° |
| C21 | C23 | H232 | 110.0° | 110.0° |
| C21 | C22 | C51 | 99.6° | 104.2° |
| C22 | C21 | H211 | 110.6° | 110.0° |
| C21 | C22 | H221 | 111.9° | 110.5° |
| C21 | C22 | H222 | 111.9° | 110.5° |
| C23 | C52 | C51 | 104.6° | 104.2° |
| C52 | C23 | H231 | 110.0° | 110.0° |
| C52 | C23 | H232 | 110.0° | 110.0° |
| C23 | C52 | H522 | 110.7° | 110.5° |
| C23 | C52 | H521 | 110.7° | 110.5° |
| C22 | C51 | C52 | 104.6° | 102.8° |
| C51 | C22 | H221 | 111.9° | 110.5° |
| C51 | C22 | H222 | 111.9° | 110.5° |
| C22 | C51 | H512 | 110.7° | 110.8° |
| C22 | C51 | H511 | 110.7° | 110.8° |
| C52 | C51 | H512 | 110.6° | 110.7° |
| C52 | C51 | H511 | 110.7° | 110.9° |
| C51 | C52 | H522 | 110.7° | 110.5° |
| C51 | C52 | H521 | 110.6° | 110.5° |
| H221 | C22 | H222 | 109.5° | 110.5° |
| H261 | C26 | H262 | 109.4° | 109.4° |
| H261 | C26 | H263 | 109.5° | 109.5° |
| H262 | C26 | H263 | 109.5° | 109.4° |
| H032 | C03 | H031 | 109.5° | 110.8° |
| H041 | C04 | H042 | 109.5° | 110.4° |
| H052 | C05 | H051 | 120.0° | 120.0° |
| H081 | C08 | H082 | 109.5° | 115.5° |
| H231 | C23 | H232 | 109.5° | 110.1° |
| H253 | C25 | H251 | 109.5° | 109.5° |
| H253 | C25 | H252 | 109.5° | 109.5° |
| H251 | C25 | H252 | 109.4° | 109.4° |
| H272 | C27 | H271 | 109.5° | 109.5° |
| H272 | C27 | H273 | 109.4° | 109.4° |
| H271 | C27 | H273 | 109.5° | 109.5° |
| H313 | C31 | H311 | 109.5° | 109.4° |
| H313 | C31 | H312 | 109.5° | 109.5° |
| H311 | C31 | H312 | 109.4° | 109.4° |
| H412 | C41 | H411 | 109.5° | 109.5° |
| H412 | C41 | H413 | 109.4° | 109.4° |
| H411 | C41 | H413 | 109.5° | 109.5° |
| H491 | C49 | H492 | 109.5° | 115.5° |
| H501 | C50 | H502 | 109.5° | 115.6° |
| H512 | C51 | H511 | 109.5° | 110.6° |
| H522 | C52 | H521 | 109.5° | 110.6° |
| H531 | C53 | H532 | 109.4° | 109.5° |
| H531 | C53 | H533 | 109.5° | 109.5° |
| H532 | C53 | H533 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C41 | O40 | C36 | C37 | 4.4° | 180.0° |
| C41 | O40 | C36 | C35 | 179.7° | 0.0° |
| O40 | C41 | H412 | H411 | 120.0° | 120.0° |
| O40 | C41 | H412 | H413 | 120.0° | 120.0° |
| O40 | C41 | H411 | H413 | 120.0° | 120.0° |
| C53 | C48 | C50 | C49 | 107.6° | 107.5° |
| C53 | C48 | C50 | S45 | 146.8° | 145.0° |
| C53 | C48 | C49 | S45 | 144.0° | 145.0° |
| C53 | C48 | S45 | O47 | 62.0° | 146.0° |
| C53 | C48 | S45 | N44 | 50.9° | 34.3° |
| C53 | C48 | S45 | O46 | 179.8° | 77.3° |
| C53 | C48 | C49 | H491 | 2.2° | 145.0° |
| C53 | C48 | C49 | H492 | 138.6° | 0.0° |
| C53 | C48 | C50 | H501 | 1.7° | 0.0° |
| C53 | C48 | C50 | H502 | 143.0° | 145.0° |
| C48 | C53 | H531 | H532 | 120.0° | 120.0° |
| C48 | C53 | H531 | H533 | 120.0° | 120.0° |
| C48 | C53 | H532 | H533 | 120.0° | 120.0° |
| C27 | C24 | C26 | C16 | 121.8° | 120.0° |
| C27 | C24 | C26 | C25 | 116.1° | 120.0° |
| C27 | C24 | C16 | C25 | 122.4° | 120.0° |
| C27 | C24 | C16 | C01 | 52.6° | 62.5° |
| C27 | C24 | C16 | N17 | 172.2° | 57.5° |
| C27 | C24 | C26 | H261 | 180.0° | 60.0° |
| C27 | C24 | C26 | H262 | 60.0° | 60.0° |
| C27 | C24 | C26 | H263 | 60.0° | 180.0° |
| C27 | C24 | C16 | H161 | 65.2° | 177.5° |
| C27 | C24 | C25 | H253 | 180.0° | 174.6° |
| C27 | C24 | C25 | H251 | 60.0° | 54.6° |
| C27 | C24 | C25 | H252 | 60.0° | 65.4° |
| C24 | C27 | H272 | H271 | 120.0° | 120.0° |
| C24 | C27 | H272 | H273 | 120.0° | 120.0° |
| C24 | C27 | H271 | H273 | 120.0° | 120.1° |
| C48 | C50 | C49 | H501 | 109.3° | 107.5° |
| C48 | C50 | C49 | H502 | 109.3° | 107.5° |
| C50 | C48 | C49 | S45 | 104.2° | 107.5° |
| C50 | C48 | S45 | O47 | 86.6° | 0.3° |
| C50 | C48 | S45 | N44 | 160.4° | 111.4° |
| C50 | C48 | S45 | O46 | 31.1° | 137.0° |
| C48 | C50 | C49 | H491 | 109.6° | 107.6° |
| C48 | C50 | C49 | H492 | 109.6° | 107.5° |
| C48 | C50 | H501 | H502 | 145.0° | 145.7° |
| C50 | C48 | C53 | H531 | 180.0° | 128.6° |
| C50 | C48 | C53 | H532 | 60.0° | 111.4° |
| C50 | C48 | C53 | H533 | 60.0° | 8.6° |
| C50 | C49 | H491 | H492 | 144.4° | 145.6° |
| C49 | C50 | H501 | H502 | 145.0° | 145.7° |
| C26 | C24 | C16 | C25 | 120.7° | 120.1° |
| C26 | C24 | C16 | C01 | 169.5° | 177.5° |
| C26 | C24 | C16 | N17 | 70.9° | 62.5° |
| C24 | C26 | H261 | H262 | 120.0° | 120.1° |
| C24 | C26 | H261 | H263 | 120.0° | 120.0° |
| C24 | C26 | H262 | H263 | 120.0° | 120.0° |
| C26 | C24 | C16 | H161 | 51.6° | 57.5° |
| C26 | C24 | C25 | H253 | 63.6° | 54.7° |
| C26 | C24 | C25 | H251 | 176.4° | 65.3° |
| C26 | C24 | C25 | H252 | 56.4° | 174.7° |
| C26 | C24 | C27 | H272 | 180.0° | 180.0° |
| C26 | C24 | C27 | H271 | 60.0° | 60.0° |
| C26 | C24 | C27 | H273 | 60.0° | 60.0° |
| O40 | C36 | C37 | C35 | 175.5° | 180.0° |
| O40 | C36 | C37 | C38 | 177.1° | 180.0° |
| O40 | C36 | C35 | C34 | 177.9° | 180.0° |
| O40 | C36 | C35 | H351 | 2.1° | 0.0° |
| O40 | C36 | C37 | H371 | 2.9° | 0.0° |
| C36 | O40 | C41 | H412 | 180.0° | 180.0° |
| C36 | O40 | C41 | H411 | 60.0° | 60.0° |
| C36 | O40 | C41 | H413 | 60.0° | 60.1° |
| C49 | C48 | S45 | O47 | 153.0° | 68.3° |
| C49 | C48 | S45 | N44 | 94.1° | 180.0° |
| C49 | C48 | S45 | O46 | 35.2° | 68.4° |
| C48 | C49 | H491 | H492 | 144.4° | 145.7° |
| C49 | C48 | C53 | H531 | 109.3° | 60.0° |
| C49 | C48 | C53 | H532 | 130.7° | 180.0° |
| C49 | C48 | C53 | H533 | 10.7° | 60.0° |
| C48 | S45 | O47 | N44 | 112.6° | 111.7° |
| C48 | S45 | O47 | O46 | 117.9° | 131.5° |
| C48 | S45 | N44 | O46 | 124.6° | 116.0° |
| C48 | S45 | N44 | C42 | 175.6° | 65.0° |
| S45 | C48 | C49 | H491 | 146.1° | 0.0° |
| S45 | C48 | C49 | H492 | 5.4° | 145.1° |
| S45 | C48 | C50 | H501 | 145.2° | 145.0° |
| S45 | C48 | C50 | H502 | 3.8° | 0.0° |
| S45 | C48 | C53 | H531 | 34.0° | 85.7° |
| S45 | C48 | C53 | H532 | 86.0° | 34.3° |
| S45 | C48 | C53 | H533 | 154.0° | 154.3° |
| C48 | S45 | N44 | H441 | 4.3° | 115.0° |
| C36 | C37 | C38 | H371 | 180.0° | 180.0° |
| C36 | C37 | C38 | N39 | 178.8° | 179.9° |
| C36 | C37 | C38 | C33 | 0.1° | 0.0° |
| C37 | C36 | C35 | C34 | 2.1° | 0.0° |
| C37 | C36 | C35 | H351 | 177.9° | 180.0° |
| C38 | C37 | C36 | C35 | 1.6° | 0.0° |
| C37 | C38 | N39 | C33 | 178.7° | 179.9° |
| C37 | C38 | N39 | C29 | 179.8° | 180.0° |
| C37 | C38 | C33 | C34 | 1.4° | 0.0° |
| C37 | C38 | C33 | N32 | 179.7° | 180.0° |
| C02 | C04 | N14 | H041 | 118.6° | 118.8° |
| C02 | C04 | N14 | H042 | 118.6° | 118.8° |
| C04 | C02 | C03 | O28 | 106.6° | 118.1° |
| C04 | C02 | C03 | H021 | 121.0° | 118.1° |
| C04 | C02 | O28 | H021 | 115.4° | 123.9° |
| C04 | C02 | C03 | C13 | 41.7° | 35.5° |
| C02 | C04 | N14 | C01 | 163.1° | 155.8° |
| C02 | C04 | N14 | C13 | 17.9° | 24.1° |
| C04 | C02 | O28 | C29 | 160.0° | 97.8° |
| C04 | C02 | C03 | H032 | 160.6° | 153.8° |
| C04 | C02 | C03 | H031 | 77.2° | 82.9° |
| C02 | C04 | H041 | H042 | 123.9° | 122.3° |
| N14 | C04 | C02 | C03 | 39.4° | 37.0° |
| N14 | C04 | C02 | O28 | 79.6° | 155.1° |
| C04 | N14 | C13 | C03 | 4.6° | 1.1° |
| C04 | N14 | C01 | C16 | 0.3° | 4.8° |
| C04 | N14 | C01 | C13 | 178.9° | 180.0° |
| C04 | N14 | C01 | O15 | 178.4° | 175.1° |
| C04 | N14 | C13 | C11 | 129.1° | 120.5° |
| C04 | N14 | C13 | H131 | 111.6° | 118.4° |
| N14 | C04 | C02 | H021 | 163.3° | 81.1° |
| N14 | C04 | H041 | H042 | 123.9° | 122.3° |
| C24 | C16 | C01 | N17 | 122.1° | 120.0° |
| C24 | C16 | C01 | H161 | 117.8° | 120.0° |
| C24 | C16 | N17 | H161 | 121.5° | 120.0° |
| C24 | C16 | C01 | N14 | 111.0° | 93.6° |
| C24 | C16 | C01 | O15 | 70.9° | 86.4° |
| C24 | C16 | N17 | C18 | 149.8° | 85.0° |
| C16 | C24 | C26 | H261 | 58.2° | 60.0° |
| C16 | C24 | C26 | H262 | 178.2° | 180.0° |
| C16 | C24 | C26 | H263 | 61.8° | 60.1° |
| C16 | C24 | C25 | H253 | 53.3° | 65.4° |
| C16 | C24 | C25 | H251 | 66.7° | 174.6° |
| C16 | C24 | C25 | H252 | 173.4° | 54.6° |
| C16 | C24 | C27 | H272 | 64.7° | 60.0° |
| C16 | C24 | C27 | H271 | 55.3° | 180.0° |
| C16 | C24 | C27 | H273 | 175.3° | 59.9° |
| C24 | C16 | N17 | H171 | 30.2° | 95.1° |
| C25 | C24 | C16 | C01 | 69.8° | 57.5° |
| C25 | C24 | C16 | N17 | 49.8° | 177.5° |
| C25 | C24 | C26 | H261 | 63.9° | 179.9° |
| C25 | C24 | C26 | H262 | 56.1° | 59.9° |
| C25 | C24 | C26 | H263 | 176.1° | 60.0° |
| C25 | C24 | C16 | H161 | 172.4° | 62.5° |
| C24 | C25 | H253 | H251 | 120.0° | 120.0° |
| C24 | C25 | H253 | H252 | 120.0° | 120.0° |
| C24 | C25 | H251 | H252 | 120.0° | 120.0° |
| C25 | C24 | C27 | H272 | 61.1° | 60.1° |
| C25 | C24 | C27 | H271 | 178.9° | 59.9° |
| C25 | C24 | C27 | H273 | 58.9° | 180.0° |
| O47 | S45 | N44 | O46 | 124.9° | 127.9° |
| O47 | S45 | N44 | C42 | 65.1° | 178.9° |
| O47 | S45 | N44 | H441 | 114.9° | 1.0° |
| C36 | C35 | C34 | H351 | 180.0° | 180.0° |
| C36 | C35 | C34 | C33 | 0.7° | 0.0° |
| C36 | C35 | C34 | H341 | 179.3° | 180.0° |
| C35 | C36 | C37 | H371 | 178.4° | 180.0° |
| C03 | C02 | O28 | H021 | 133.5° | 123.9° |
| C02 | C03 | C13 | H032 | 119.0° | 118.3° |
| C02 | C03 | C13 | H031 | 118.9° | 118.4° |
| C02 | C03 | C13 | N14 | 30.3° | 22.2° |
| C03 | C02 | O28 | C29 | 88.9° | 150.0° |
| C02 | C03 | C13 | C11 | 145.1° | 97.4° |
| C02 | C03 | C13 | H131 | 86.2° | 141.7° |
| C02 | C03 | H032 | H031 | 123.1° | 123.2° |
| C03 | C02 | C04 | H041 | 79.2° | 155.8° |
| C03 | C02 | C04 | H042 | 158.0° | 81.8° |
| O28 | C02 | C03 | C13 | 64.9° | 153.6° |
| C02 | O28 | C29 | N39 | 11.0° | 0.3° |
| C02 | O28 | C29 | C30 | 167.0° | 180.0° |
| O28 | C02 | C03 | H032 | 54.0° | 88.1° |
| O28 | C02 | C03 | H031 | 176.1° | 35.2° |
| O28 | C02 | C04 | H041 | 161.7° | 86.0° |
| O28 | C02 | C04 | H042 | 39.0° | 36.3° |
| O12 | C11 | C13 | C03 | 64.2° | 118.3° |
| O12 | C11 | C13 | N14 | 48.7° | 0.5° |
| O12 | C11 | C13 | N10 | 179.3° | 179.9° |
| O12 | C11 | N10 | C09 | 8.8° | 4.4° |
| O12 | C11 | C13 | H131 | 167.5° | 120.7° |
| O12 | C11 | N10 | H101 | 171.2° | 175.5° |
| C03 | C13 | N14 | C01 | 174.5° | 178.9° |
| C03 | C13 | N14 | C11 | 124.5° | 119.4° |
| C03 | C13 | N14 | H131 | 116.3° | 119.5° |
| C03 | C13 | C11 | H131 | 128.3° | 121.0° |
| C03 | C13 | C11 | N10 | 115.1° | 61.7° |
| C13 | C03 | C02 | H021 | 162.7° | 82.6° |
| C13 | C03 | H032 | H031 | 123.0° | 123.3° |
| C38 | N39 | C29 | O28 | 178.2° | 179.7° |
| C38 | N39 | C29 | C30 | 0.3° | 0.1° |
| N39 | C38 | C33 | C34 | 179.9° | 179.9° |
| N39 | C38 | C33 | N32 | 1.0° | 0.0° |
| N39 | C38 | C37 | H371 | 1.2° | 0.1° |
| C29 | N39 | C38 | C33 | 1.1° | 0.1° |
| N39 | C29 | O28 | C30 | 178.0° | 179.7° |
| N39 | C29 | C30 | N32 | 0.6° | 0.0° |
| N39 | C29 | C30 | C31 | 179.4° | 180.0° |
| S45 | N44 | C42 | H441 | 180.0° | 180.0° |
| S45 | N44 | C42 | O43 | 4.5° | 5.9° |
| S45 | N44 | C42 | C09 | 178.9° | 174.0° |
| O46 | S45 | N44 | C42 | 59.7° | 51.0° |
| O46 | S45 | N44 | H441 | 120.3° | 128.9° |
| C01 | C16 | N17 | H161 | 119.1° | 120.0° |
| C16 | C01 | N14 | O15 | 178.1° | 180.0° |
| C16 | C01 | N14 | C13 | 179.2° | 175.1° |
| C01 | C16 | N17 | C18 | 90.9° | 155.0° |
| C01 | C16 | N17 | H171 | 89.1° | 24.9° |
| N17 | C16 | C01 | N14 | 126.9° | 146.4° |
| N17 | C16 | C01 | O15 | 51.2° | 33.5° |
| C16 | N17 | C18 | O19 | 6.0° | 0.0° |
| C16 | N17 | C18 | H171 | 180.0° | 179.9° |
| C16 | N17 | C18 | O20 | 174.5° | 180.0° |
| C38 | C33 | C34 | C35 | 1.0° | 0.0° |
| C38 | C33 | C34 | N32 | 178.9° | 179.9° |
| C38 | C33 | N32 | C30 | 0.1° | 0.0° |
| C38 | C33 | C34 | H341 | 179.0° | 180.0° |
| C33 | C38 | C37 | H371 | 179.9° | 179.9° |
| C01 | N14 | C13 | C11 | 50.0° | 59.4° |
| C01 | N14 | C13 | H131 | 69.2° | 61.7° |
| C01 | N14 | C04 | H041 | 78.3° | 37.0° |
| C01 | N14 | C04 | H042 | 44.5° | 85.4° |
| N14 | C01 | C16 | H161 | 6.8° | 26.4° |
| C13 | N14 | C01 | O15 | 2.7° | 4.9° |
| N14 | C13 | C11 | H131 | 118.8° | 121.1° |
| N14 | C13 | C11 | N10 | 132.0° | 179.6° |
| N14 | C13 | C03 | H032 | 149.3° | 140.5° |
| N14 | C13 | C03 | H031 | 88.6° | 96.2° |
| C13 | N14 | C04 | H041 | 100.7° | 143.0° |
| C13 | N14 | C04 | H042 | 136.5° | 94.7° |
| O28 | C29 | C30 | N32 | 177.4° | 179.7° |
| O28 | C29 | C30 | C31 | 1.5° | 0.3° |
| C29 | O28 | C02 | H021 | 44.7° | 26.1° |
| N44 | C42 | O43 | C09 | 176.3° | 180.0° |
| N44 | C42 | C09 | N10 | 7.6° | 60.4° |
| N44 | C42 | C09 | C07 | 144.6° | 85.3° |
| N44 | C42 | C09 | C08 | 148.8° | 153.9° |
| O15 | C01 | C16 | H161 | 171.3° | 153.6° |
| C13 | C11 | N10 | C09 | 171.9° | 175.5° |
| C11 | C13 | C03 | H032 | 96.0° | 21.0° |
| C11 | C13 | C03 | H031 | 26.1° | 144.3° |
| C13 | C11 | N10 | H101 | 8.1° | 4.5° |
| C11 | N10 | C09 | C42 | 78.0° | 89.0° |
| C11 | N10 | C09 | H101 | 180.0° | 180.0° |
| C11 | N10 | C09 | C07 | 76.0° | 56.6° |
| C11 | N10 | C09 | C08 | 140.6° | 125.2° |
| N10 | C11 | C13 | H131 | 13.2° | 59.3° |
| C35 | C34 | C33 | H341 | 180.0° | 180.0° |
| C35 | C34 | C33 | N32 | 179.9° | 180.0° |
| C29 | C30 | N32 | C33 | 0.6° | 0.0° |
| C29 | C30 | N32 | C31 | 178.9° | 180.0° |
| C29 | C30 | C31 | H313 | 178.8° | 90.1° |
| C29 | C30 | C31 | H311 | 58.8° | 150.0° |
| C29 | C30 | C31 | H312 | 61.1° | 30.0° |
| O19 | C18 | N17 | O20 | 179.4° | 180.0° |
| O19 | C18 | O20 | C21 | 7.5° | 0.0° |
| O19 | C18 | N17 | H171 | 173.9° | 180.0° |
| N17 | C18 | O20 | C21 | 171.9° | 180.0° |
| C18 | N17 | C16 | H161 | 28.2° | 35.0° |
| C05 | C06 | C07 | H061 | 180.0° | 179.9° |
| C05 | C06 | C07 | C09 | 127.1° | 120.0° |
| C05 | C06 | C07 | C08 | 163.6° | 171.4° |
| C06 | C05 | H052 | H051 | 180.0° | 180.0° |
| C05 | C06 | C07 | H071 | 17.6° | 25.8° |
| C34 | C33 | N32 | C30 | 179.1° | 179.9° |
| C33 | C34 | C35 | H351 | 179.3° | 180.0° |
| C33 | N32 | C30 | C31 | 179.5° | 180.0° |
| N32 | C33 | C34 | H341 | 0.1° | 0.1° |
| C18 | O20 | C21 | C23 | 79.5° | 150.0° |
| C18 | O20 | C21 | C22 | 169.3° | 92.8° |
| C18 | O20 | C21 | H211 | 46.0° | 28.6° |
| O20 | C18 | N17 | H171 | 5.5° | 0.1° |
| O43 | C42 | C09 | N10 | 169.0° | 119.6° |
| O43 | C42 | C09 | C07 | 38.8° | 94.7° |
| O43 | C42 | C09 | C08 | 27.8° | 26.1° |
| O43 | C42 | N44 | H441 | 175.5° | 174.0° |
| C42 | C09 | N10 | C07 | 154.0° | 145.7° |
| C42 | C09 | N10 | C08 | 141.4° | 145.7° |
| C42 | C09 | C07 | C06 | 7.5° | 0.0° |
| C42 | C09 | C07 | C08 | 101.0° | 107.5° |
| C42 | C09 | C07 | H071 | 152.1° | 145.0° |
| C42 | C09 | C08 | H081 | 138.9° | 0.1° |
| C42 | C09 | C08 | H082 | 1.8° | 145.0° |
| C42 | C09 | N10 | H101 | 102.1° | 90.9° |
| C09 | C42 | N44 | H441 | 1.1° | 6.0° |
| N10 | C09 | C07 | C06 | 147.7° | 145.0° |
| N10 | C09 | C07 | C08 | 103.9° | 107.5° |
| N10 | C09 | C07 | H071 | 3.0° | 0.0° |
| N10 | C09 | C08 | H081 | 6.6° | 145.0° |
| N10 | C09 | C08 | H082 | 147.2° | 0.0° |
| C06 | C07 | C09 | C08 | 108.4° | 107.5° |
| C06 | C07 | C09 | H071 | 144.7° | 145.0° |
| C06 | C07 | C08 | H071 | 145.8° | 145.0° |
| C07 | C06 | C05 | H052 | 0.0° | 180.0° |
| C07 | C06 | C05 | H051 | 180.0° | 0.1° |
| C06 | C07 | C08 | H081 | 142.2° | 0.1° |
| C06 | C07 | C08 | H082 | 1.6° | 145.0° |
| N32 | C30 | C31 | H313 | 0.0° | 90.0° |
| N32 | C30 | C31 | H311 | 120.0° | 30.0° |
| N32 | C30 | C31 | H312 | 120.0° | 150.0° |
| C30 | C31 | H313 | H311 | 120.0° | 120.0° |
| C30 | C31 | H313 | H312 | 120.0° | 120.1° |
| C30 | C31 | H311 | H312 | 120.0° | 120.0° |
| C09 | C07 | C08 | H071 | 106.2° | 107.5° |
| C09 | C07 | C06 | H061 | 52.8° | 59.9° |
| C07 | C09 | C08 | H081 | 109.7° | 107.5° |
| C07 | C09 | C08 | H082 | 109.7° | 107.5° |
| C07 | C09 | N10 | H101 | 104.0° | 123.4° |
| C09 | C08 | H081 | H082 | 144.3° | 145.6° |
| C08 | C09 | N10 | H101 | 39.4° | 54.8° |
| C08 | C07 | C06 | H061 | 16.5° | 8.7° |
| C07 | C08 | H081 | H082 | 144.3° | 145.7° |
| O20 | C21 | C23 | C22 | 113.2° | 119.3° |
| O20 | C21 | C23 | H211 | 127.9° | 121.4° |
| O20 | C21 | C22 | H211 | 126.2° | 121.4° |
| O20 | C21 | C23 | C52 | 99.5° | 119.3° |
| O20 | C21 | C22 | C51 | 77.0° | 142.9° |
| O20 | C21 | C22 | H221 | 41.4° | 24.2° |
| O20 | C21 | C22 | H222 | 164.7° | 98.4° |
| O20 | C21 | C23 | H231 | 140.9° | 121.4° |
| O20 | C21 | C23 | H232 | 20.2° | 0.0° |
| C23 | C21 | C22 | H211 | 119.4° | 119.2° |
| C21 | C23 | C52 | H231 | 119.7° | 119.3° |
| C21 | C23 | C52 | H232 | 119.6° | 119.2° |
| C23 | C21 | C22 | C51 | 37.5° | 23.6° |
| C21 | C23 | C52 | C51 | 11.4° | 23.6° |
| C23 | C21 | C22 | H221 | 155.8° | 95.1° |
| C23 | C21 | C22 | H222 | 80.9° | 142.2° |
| C21 | C23 | H231 | H232 | 121.0° | 121.4° |
| C21 | C23 | C52 | H522 | 107.8° | 142.3° |
| C21 | C23 | C52 | H521 | 130.6° | 95.1° |
| C22 | C21 | C23 | C52 | 13.7° | 0.0° |
| C21 | C22 | C51 | H221 | 118.4° | 118.7° |
| C21 | C22 | C51 | H222 | 118.4° | 118.7° |
| C21 | C22 | C51 | C52 | 43.9° | 38.0° |
| C21 | C22 | H221 | H222 | 124.6° | 122.6° |
| C22 | C21 | C23 | H231 | 105.9° | 119.3° |
| C22 | C21 | C23 | H232 | 133.4° | 119.3° |
| C21 | C22 | C51 | H512 | 75.3° | 156.3° |
| C21 | C22 | C51 | H511 | 163.1° | 80.6° |
| C23 | C52 | C51 | C22 | 38.2° | 38.0° |
| C23 | C52 | C51 | H522 | 119.2° | 118.6° |
| C23 | C52 | C51 | H521 | 119.2° | 118.7° |
| C52 | C23 | C21 | H211 | 132.6° | 119.3° |
| C52 | C23 | H231 | H232 | 121.0° | 121.4° |
| C23 | C52 | C51 | H512 | 81.0° | 156.3° |
| C23 | C52 | C51 | H511 | 157.5° | 80.5° |
| C23 | C52 | H522 | H521 | 122.3° | 122.6° |
| C22 | C51 | C52 | H512 | 119.2° | 118.4° |
| C22 | C51 | C52 | H511 | 119.2° | 118.4° |
| C51 | C22 | C21 | H211 | 156.9° | 95.6° |
| C51 | C22 | H221 | H222 | 124.6° | 122.6° |
| C22 | C51 | H512 | H511 | 122.2° | 123.2° |
| C22 | C51 | C52 | H522 | 81.0° | 156.6° |
| C22 | C51 | C52 | H521 | 157.5° | 80.7° |
| C52 | C51 | C22 | H221 | 162.2° | 80.8° |
| C52 | C51 | C22 | H222 | 74.5° | 156.6° |
| C51 | C52 | C23 | H231 | 131.1° | 95.7° |
| C51 | C52 | C23 | H232 | 108.2° | 142.9° |
| C52 | C51 | H512 | H511 | 122.2° | 123.4° |
| C51 | C52 | H522 | H521 | 122.2° | 122.7° |
| H131 | C13 | C03 | H032 | 32.8° | 100.0° |
| H131 | C13 | C03 | H031 | 154.9° | 23.3° |
| H211 | C21 | C22 | H221 | 84.8° | 145.6° |
| H211 | C21 | C22 | H222 | 38.5° | 23.0° |
| H211 | C21 | C23 | H231 | 13.0° | 0.0° |
| H211 | C21 | C23 | H232 | 107.7° | 121.5° |
| H221 | C22 | C51 | H512 | 43.0° | 37.6° |
| H221 | C22 | C51 | H511 | 78.5° | 160.7° |
| H222 | C22 | C51 | H512 | 166.3° | 85.0° |
| H222 | C22 | C51 | H511 | 44.7° | 38.1° |
| H261 | C26 | H262 | H263 | 120.0° | 119.9° |
| H021 | C02 | C03 | H032 | 78.4° | 35.8° |
| H021 | C02 | C03 | H031 | 43.7° | 159.0° |
| H021 | C02 | C04 | H041 | 44.6° | 37.8° |
| H021 | C02 | C04 | H042 | 78.1° | 160.1° |
| H052 | C05 | C06 | H061 | 179.9° | 0.1° |
| H051 | C05 | C06 | H061 | 0.0° | 179.9° |
| H061 | C06 | C07 | H071 | 162.4° | 154.3° |
| H071 | C07 | C08 | H081 | 3.5° | 145.0° |
| H071 | C07 | C08 | H082 | 144.1° | 0.0° |
| H161 | C16 | N17 | H171 | 151.7° | 145.0° |
| H231 | C23 | C52 | H522 | 11.9° | 23.0° |
| H231 | C23 | C52 | H521 | 109.7° | 145.6° |
| H232 | C23 | C52 | H522 | 132.6° | 98.5° |
| H232 | C23 | C52 | H521 | 11.0° | 24.2° |
| H253 | C25 | H251 | H252 | 120.0° | 120.0° |
| H272 | C27 | H271 | H273 | 119.9° | 120.0° |
| H313 | C31 | H311 | H312 | 120.0° | 119.9° |
| H341 | C34 | C35 | H351 | 0.7° | 0.0° |
| H412 | C41 | H411 | H413 | 120.0° | 119.9° |
| H491 | C49 | C50 | H501 | 0.3° | 145.0° |
| H491 | C49 | C50 | H502 | 141.1° | 0.1° |
| H492 | C49 | C50 | H501 | 141.0° | 0.0° |
| H492 | C49 | C50 | H502 | 0.3° | 145.0° |
| H512 | C51 | C52 | H522 | 159.8° | 85.0° |
| H512 | C51 | C52 | H521 | 38.3° | 37.6° |
| H511 | C51 | C52 | H522 | 38.2° | 38.2° |
| H511 | C51 | C52 | H521 | 83.3° | 160.9° |
| H531 | C53 | H532 | H533 | 120.0° | 120.0° |
