FHD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | C03 | sing | 1.54Å | 1.34Å | |
| C13 | C11 | sing | 1.51Å | 1.53Å | |
| C13 | N14 | sing | 1.47Å | 1.63Å | |
| C21 | C23 | sing | 1.53Å | 1.36Å | |
| C21 | O20 | sing | 1.45Å | 1.38Å | |
| C22 | C51 | sing | 1.53Å | 1.37Å | |
| C24 | C26 | sing | 1.53Å | 1.54Å | |
| C24 | C16 | sing | 1.53Å | 1.54Å | |
| C24 | C25 | sing | 1.53Å | 1.55Å | |
| C24 | C27 | sing | 1.53Å | 1.55Å | |
| C01 | C16 | sing | 1.51Å | 1.51Å | |
| C01 | N14 | sing | 1.35Å | 1.48Å | |
| C01 | O15 | doub | 1.21Å | 1.21Å | |
| C02 | C03 | sing | 1.55Å | 1.59Å | |
| C02 | C04 | sing | 1.55Å | 1.56Å | |
| C02 | O28 | sing | 1.43Å | 1.33Å | |
| C04 | N14 | sing | 1.47Å | 1.35Å | |
| C05 | C06 | doub | 1.31Å | 1.33Å | |
| C06 | C07 | sing | 1.51Å | 1.54Å | |
| C07 | C08 | sing | 1.53Å | 1.53Å | |
| C07 | C09 | sing | 1.53Å | 1.53Å | |
| C08 | C09 | sing | 1.53Å | 1.53Å | |
| C09 | C42 | sing | 1.51Å | 1.52Å | |
| C09 | N10 | sing | 1.46Å | 1.47Å | |
| C11 | N10 | sing | 1.35Å | 1.44Å | |
| C11 | O12 | doub | 1.21Å | 1.21Å | |
| C16 | N17 | sing | 1.46Å | 1.43Å | |
| C18 | N17 | sing | 1.35Å | 1.44Å | |
| C18 | O19 | doub | 1.21Å | 1.19Å | |
| C18 | O20 | sing | 1.35Å | 1.40Å | |
| C23 | C52 | sing | 1.53Å | 1.62Å | |
| C29 | C30 | doub | 1.41Å | 1.51Å | Aromatic |
| C29 | N39 | sing | 1.32Å | 1.42Å | Aromatic |
| C29 | O28 | sing | 1.36Å | 1.40Å | |
| C30 | N32 | sing | 1.31Å | 1.42Å | Aromatic |
| C30 | CL | sing | 1.74Å | 1.73Å | |
| C33 | C34 | sing | 1.41Å | 1.54Å | Aromatic |
| C33 | C38 | sing | 1.42Å | 1.50Å | Aromatic |
| C33 | N32 | doub | 1.34Å | 1.44Å | Aromatic |
| C34 | C35 | doub | 1.36Å | 1.51Å | Aromatic |
| C35 | C36 | sing | 1.40Å | 1.52Å | Aromatic |
| C36 | C37 | doub | 1.37Å | 1.52Å | Aromatic |
| C36 | O40 | sing | 1.36Å | 1.37Å | |
| C37 | C38 | sing | 1.40Å | 1.52Å | Aromatic |
| C38 | N39 | doub | 1.34Å | 1.45Å | Aromatic |
| C41 | O40 | sing | 1.43Å | 1.43Å | |
| C42 | N44 | sing | 1.35Å | 1.43Å | |
| C42 | O43 | doub | 1.21Å | 1.19Å | |
| C48 | C49 | sing | 1.53Å | 1.53Å | |
| C48 | C50 | sing | 1.53Å | 1.53Å | |
| C48 | C53 | sing | 1.53Å | 1.54Å | |
| C48 | S45 | sing | 1.81Å | 1.81Å | |
| C49 | C50 | sing | 1.53Å | 1.54Å | |
| C51 | C52 | sing | 1.53Å | 1.61Å | |
| N44 | S45 | sing | 1.66Å | 1.66Å | |
| O46 | S45 | doub | 1.42Å | 1.47Å | |
| O47 | S45 | doub | 1.42Å | 1.47Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C21 | H1 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H2 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C26 | H263 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C05 | H052 | 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 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C25 | H253 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C27 | H273 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | 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 | H492 | sing | 1.09Å | 1.10Å | |
| C49 | H491 | sing | 1.09Å | 1.10Å | |
| C50 | H502 | sing | 1.09Å | 1.10Å | |
| C50 | H501 | sing | 1.09Å | 1.10Å | |
| C51 | H511 | sing | 1.09Å | 1.10Å | |
| C51 | H512 | sing | 1.09Å | 1.10Å | |
| C52 | H521 | sing | 1.09Å | 1.10Å | |
| C52 | H522 | 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) |
| C03 | C13 | C11 | 118.7° | 109.9° |
| C03 | C13 | N14 | 104.2° | 107.3° |
| C13 | C03 | C02 | 101.1° | 103.0° |
| C03 | C13 | H131 | 112.7° | 109.9° |
| C13 | C03 | H031 | 111.5° | 110.7° |
| C13 | C03 | H032 | 111.5° | 110.7° |
| C11 | C13 | N14 | 101.9° | 109.9° |
| C13 | C11 | N10 | 113.2° | 120.0° |
| C13 | C11 | O12 | 125.1° | 120.0° |
| C11 | C13 | H131 | 109.7° | 109.9° |
| C13 | N14 | C01 | 121.6° | 125.7° |
| C13 | N14 | C04 | 109.5° | 108.7° |
| N14 | C13 | H131 | 108.5° | 110.0° |
| C23 | C21 | O20 | 111.4° | 109.5° |
| C21 | C23 | C52 | 105.7° | 109.5° |
| C23 | C21 | H1 | 109.0° | 109.5° |
| C23 | C21 | H211 | 109.0° | 109.5° |
| C21 | C23 | H231 | 110.4° | 109.5° |
| C21 | C23 | H232 | 110.4° | 109.5° |
| C21 | O20 | C18 | 116.2° | 117.0° |
| O20 | C21 | H1 | 109.0° | 109.5° |
| O20 | C21 | H211 | 109.0° | 109.4° |
| C22 | C51 | C52 | 105.4° | 109.5° |
| C51 | C22 | H222 | 109.5° | 109.5° |
| C51 | C22 | H221 | 109.5° | 109.5° |
| C51 | C22 | H2 | 109.5° | 109.5° |
| C22 | C51 | H511 | 110.5° | 109.5° |
| C22 | C51 | H512 | 110.5° | 109.5° |
| C26 | C24 | C16 | 106.5° | 109.5° |
| C26 | C24 | C25 | 108.7° | 109.4° |
| C26 | C24 | C27 | 110.0° | 109.5° |
| C24 | C26 | H262 | 109.5° | 109.5° |
| C24 | C26 | H263 | 109.5° | 109.4° |
| C24 | C26 | H261 | 109.5° | 109.5° |
| C16 | C24 | C25 | 112.5° | 109.5° |
| C16 | C24 | C27 | 110.1° | 109.5° |
| C24 | C16 | C01 | 109.6° | 109.5° |
| C24 | C16 | N17 | 111.1° | 109.5° |
| C24 | C16 | H161 | 108.5° | 109.4° |
| C25 | C24 | C27 | 109.1° | 109.5° |
| C24 | C25 | H251 | 109.5° | 109.5° |
| C24 | C25 | H252 | 109.5° | 109.5° |
| C24 | C25 | H253 | 109.5° | 109.5° |
| C24 | C27 | H272 | 109.5° | 109.5° |
| C24 | C27 | H273 | 109.5° | 109.5° |
| C24 | C27 | H271 | 109.4° | 109.5° |
| C16 | C01 | N14 | 116.2° | 120.0° |
| C16 | C01 | O15 | 123.1° | 119.9° |
| C01 | C16 | N17 | 108.6° | 109.5° |
| C01 | C16 | H161 | 108.9° | 109.4° |
| N14 | C01 | O15 | 120.8° | 120.0° |
| C01 | N14 | C04 | 128.9° | 125.7° |
| C03 | C02 | C04 | 100.3° | 101.6° |
| C03 | C02 | O28 | 113.0° | 111.0° |
| C03 | C02 | H021 | 110.8° | 111.0° |
| C02 | C03 | H031 | 111.5° | 110.7° |
| C02 | C03 | H032 | 111.6° | 110.7° |
| C04 | C02 | O28 | 105.4° | 111.0° |
| C02 | C04 | N14 | 100.9° | 104.9° |
| C04 | C02 | H021 | 111.2° | 111.0° |
| C02 | C04 | H041 | 111.6° | 110.4° |
| C02 | C04 | H042 | 111.5° | 110.4° |
| C02 | O28 | C29 | 113.4° | 117.0° |
| O28 | C02 | H021 | 115.1° | 110.9° |
| N14 | C04 | H041 | 111.6° | 110.3° |
| N14 | C04 | H042 | 111.6° | 110.4° |
| C05 | C06 | C07 | 118.2° | 120.0° |
| C06 | C05 | H051 | 120.0° | 120.0° |
| C06 | C05 | H052 | 120.0° | 120.0° |
| C05 | C06 | H061 | 120.9° | 120.0° |
| C06 | C07 | C08 | 116.7° | 117.5° |
| C06 | C07 | C09 | 117.3° | 117.5° |
| C07 | C06 | H061 | 120.9° | 120.0° |
| C06 | C07 | H071 | 116.8° | 115.6° |
| C08 | C07 | C09 | 59.9° | 60.0° |
| C07 | C08 | C09 | 60.0° | 60.0° |
| C08 | C07 | H071 | 117.0° | 117.5° |
| C07 | C08 | H081 | 120.0° | 117.5° |
| C07 | C08 | H082 | 120.0° | 117.5° |
| C07 | C09 | C08 | 60.1° | 60.0° |
| C07 | C09 | C42 | 119.2° | 117.5° |
| C07 | C09 | N10 | 113.3° | 117.5° |
| C09 | C07 | H071 | 117.0° | 117.5° |
| C08 | C09 | C42 | 113.5° | 117.5° |
| C08 | C09 | N10 | 112.6° | 117.5° |
| C09 | C08 | H081 | 120.0° | 117.5° |
| C09 | C08 | H082 | 120.0° | 117.5° |
| C42 | C09 | N10 | 122.0° | 115.5° |
| C09 | C42 | N44 | 114.0° | 120.0° |
| C09 | C42 | O43 | 123.3° | 120.1° |
| C09 | N10 | C11 | 122.2° | 120.0° |
| C09 | N10 | H101 | 118.9° | 120.0° |
| N10 | C11 | O12 | 121.7° | 120.0° |
| C11 | N10 | H101 | 118.9° | 120.0° |
| C16 | N17 | C18 | 116.7° | 120.0° |
| N17 | C16 | H161 | 110.1° | 109.5° |
| C16 | N17 | H171 | 121.6° | 120.0° |
| N17 | C18 | O19 | 122.7° | 120.0° |
| N17 | C18 | O20 | 113.3° | 120.0° |
| C18 | N17 | H171 | 121.7° | 120.0° |
| O19 | C18 | O20 | 123.9° | 119.9° |
| C23 | C52 | C51 | 103.7° | 109.5° |
| C52 | C23 | H231 | 110.4° | 109.5° |
| C52 | C23 | H232 | 110.4° | 109.4° |
| C23 | C52 | H521 | 110.9° | 109.5° |
| C23 | C52 | H522 | 110.9° | 109.4° |
| C30 | C29 | N39 | 118.7° | 120.5° |
| C30 | C29 | O28 | 119.6° | 119.7° |
| C29 | C30 | N32 | 125.6° | 120.7° |
| C29 | C30 | CL | 117.5° | 119.7° |
| N39 | C29 | O28 | 121.7° | 119.7° |
| C29 | N39 | C38 | 116.5° | 119.7° |
| N32 | C30 | CL | 116.9° | 119.7° |
| C30 | N32 | C33 | 115.8° | 119.8° |
| C34 | C33 | C38 | 121.7° | 119.4° |
| C34 | C33 | N32 | 119.0° | 120.9° |
| C33 | C34 | C35 | 117.8° | 119.8° |
| C33 | C34 | H341 | 121.1° | 120.1° |
| C38 | C33 | N32 | 119.3° | 119.7° |
| C33 | C38 | C37 | 120.7° | 119.4° |
| C33 | C38 | N39 | 124.2° | 119.7° |
| C34 | C35 | C36 | 120.2° | 120.9° |
| C35 | C34 | H341 | 121.1° | 120.0° |
| C34 | C35 | H351 | 119.9° | 119.6° |
| C35 | C36 | C37 | 122.0° | 120.8° |
| C35 | C36 | O40 | 118.4° | 119.6° |
| C36 | C35 | H351 | 119.9° | 119.5° |
| C37 | C36 | O40 | 119.6° | 119.6° |
| C36 | C37 | C38 | 117.5° | 119.7° |
| C36 | C37 | H371 | 121.2° | 120.2° |
| C36 | O40 | C41 | 118.2° | 117.0° |
| C37 | C38 | N39 | 115.0° | 121.0° |
| C38 | C37 | H371 | 121.2° | 120.1° |
| O40 | C41 | H412 | 109.5° | 109.5° |
| O40 | C41 | H411 | 109.4° | 109.5° |
| O40 | C41 | H413 | 109.5° | 109.5° |
| N44 | C42 | O43 | 122.7° | 119.9° |
| C42 | N44 | S45 | 114.3° | 120.0° |
| C42 | N44 | H441 | 122.8° | 120.0° |
| C49 | C48 | C50 | 60.4° | 60.0° |
| C49 | C48 | C53 | 119.1° | 117.5° |
| C49 | C48 | S45 | 112.4° | 117.5° |
| C48 | C49 | C50 | 59.7° | 60.0° |
| C48 | C49 | H492 | 120.1° | 117.5° |
| C48 | C49 | H491 | 120.1° | 117.5° |
| C50 | C48 | C53 | 117.8° | 117.5° |
| C50 | C48 | S45 | 116.4° | 117.5° |
| C48 | C50 | C49 | 59.9° | 60.0° |
| C48 | C50 | H502 | 120.0° | 117.5° |
| C48 | C50 | H501 | 120.0° | 117.5° |
| C53 | C48 | S45 | 118.0° | 115.6° |
| C48 | C53 | H531 | 109.5° | 109.4° |
| C48 | C53 | H532 | 109.5° | 109.4° |
| C48 | C53 | H533 | 109.4° | 109.5° |
| C48 | S45 | N44 | 106.5° | 104.5° |
| C48 | S45 | O46 | 111.1° | 110.6° |
| C48 | S45 | O47 | 107.6° | 110.6° |
| C50 | C49 | H492 | 120.1° | 117.5° |
| C50 | C49 | H491 | 120.1° | 117.5° |
| C49 | C50 | H502 | 120.0° | 117.5° |
| C49 | C50 | H501 | 120.0° | 117.5° |
| C52 | C51 | H511 | 110.5° | 109.4° |
| C52 | C51 | H512 | 110.5° | 109.5° |
| C51 | C52 | H521 | 110.9° | 109.5° |
| C51 | C52 | H522 | 110.9° | 109.4° |
| N44 | S45 | O46 | 115.7° | 104.2° |
| N44 | S45 | O47 | 107.3° | 104.3° |
| S45 | N44 | H441 | 122.8° | 120.0° |
| O46 | S45 | O47 | 108.4° | 121.0° |
| H1 | C21 | H211 | 109.5° | 109.5° |
| H222 | C22 | H221 | 109.4° | 109.5° |
| H222 | C22 | H2 | 109.5° | 109.5° |
| H221 | C22 | H2 | 109.5° | 109.5° |
| H262 | C26 | H263 | 109.4° | 109.4° |
| H262 | C26 | H261 | 109.5° | 109.5° |
| H263 | C26 | H261 | 109.5° | 109.5° |
| H031 | C03 | H032 | 109.4° | 110.8° |
| H041 | C04 | H042 | 109.5° | 110.4° |
| H051 | C05 | H052 | 120.0° | 120.0° |
| H081 | C08 | H082 | 109.5° | 115.6° |
| H231 | C23 | H232 | 109.5° | 109.5° |
| H251 | C25 | H252 | 109.5° | 109.5° |
| H251 | C25 | H253 | 109.5° | 109.5° |
| H252 | C25 | H253 | 109.4° | 109.5° |
| H272 | C27 | H273 | 109.5° | 109.5° |
| H272 | C27 | H271 | 109.5° | 109.5° |
| H273 | C27 | H271 | 109.5° | 109.4° |
| H412 | C41 | H411 | 109.5° | 109.5° |
| H412 | C41 | H413 | 109.5° | 109.5° |
| H411 | C41 | H413 | 109.5° | 109.4° |
| H492 | C49 | H491 | 109.4° | 115.5° |
| H502 | C50 | H501 | 109.4° | 115.5° |
| H511 | C51 | H512 | 109.5° | 109.5° |
| H521 | C52 | H522 | 109.5° | 109.5° |
| H531 | C53 | H532 | 109.5° | 109.5° |
| H531 | C53 | H533 | 109.5° | 109.5° |
| H532 | C53 | H533 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C03 | C13 | C11 | N14 | 113.7° | 117.8° |
| C03 | C13 | C11 | H131 | 131.5° | 121.0° |
| C03 | C13 | N14 | H131 | 120.3° | 119.5° |
| C03 | C13 | N14 | C01 | 169.4° | 178.9° |
| C13 | C03 | C02 | H031 | 118.6° | 118.3° |
| C13 | C03 | C02 | H032 | 118.6° | 118.4° |
| C13 | C03 | C02 | C04 | 48.8° | 35.5° |
| C13 | C03 | C02 | O28 | 62.8° | 153.6° |
| C03 | C13 | N14 | C04 | 8.8° | 1.1° |
| C03 | C13 | C11 | N10 | 118.0° | 61.5° |
| C03 | C13 | C11 | O12 | 63.7° | 118.6° |
| C13 | C03 | C02 | H021 | 166.3° | 82.6° |
| C13 | C03 | H031 | H032 | 123.9° | 123.2° |
| C11 | C13 | N14 | H131 | 115.7° | 121.1° |
| C11 | C13 | N14 | C01 | 45.4° | 59.5° |
| C11 | C13 | C03 | C02 | 146.8° | 97.2° |
| C11 | C13 | N14 | C04 | 132.8° | 120.5° |
| C13 | C11 | N10 | C09 | 174.7° | 174.7° |
| C13 | C11 | N10 | O12 | 178.4° | 180.0° |
| C11 | C13 | C03 | H031 | 28.2° | 21.1° |
| C11 | C13 | C03 | H032 | 94.5° | 144.4° |
| C13 | C11 | N10 | H101 | 5.3° | 5.3° |
| C13 | N14 | C01 | C16 | 178.3° | 174.7° |
| C13 | N14 | C01 | C04 | 177.8° | 179.9° |
| C13 | N14 | C01 | O15 | 2.6° | 5.3° |
| N14 | C13 | C03 | C02 | 34.4° | 22.2° |
| C13 | N14 | C04 | C02 | 22.3° | 24.1° |
| N14 | C13 | C11 | N10 | 128.3° | 179.3° |
| N14 | C13 | C11 | O12 | 50.0° | 0.8° |
| N14 | C13 | C03 | H031 | 84.2° | 140.5° |
| N14 | C13 | C03 | H032 | 153.1° | 96.2° |
| C13 | N14 | C04 | H041 | 96.3° | 143.0° |
| C13 | N14 | C04 | H042 | 140.9° | 94.8° |
| C23 | C21 | O20 | H1 | 120.3° | 120.0° |
| C23 | C21 | O20 | H211 | 120.3° | 120.0° |
| C23 | C21 | O20 | C18 | 77.1° | 180.0° |
| C21 | C23 | C52 | H231 | 119.4° | 120.0° |
| C21 | C23 | C52 | H232 | 119.4° | 119.9° |
| C21 | C23 | C52 | C51 | 2.6° | 180.0° |
| C23 | C21 | H1 | H211 | 119.1° | 120.0° |
| C21 | C23 | H231 | H232 | 121.8° | 120.0° |
| C21 | C23 | C52 | H521 | 121.7° | 60.0° |
| C21 | C23 | C52 | H522 | 116.5° | 60.1° |
| C21 | O20 | C18 | N17 | 176.3° | 180.0° |
| C21 | O20 | C18 | O19 | 2.8° | 0.0° |
| O20 | C21 | C23 | C52 | 88.8° | 180.0° |
| O20 | C21 | H1 | H211 | 119.1° | 119.9° |
| O20 | C21 | C23 | H231 | 151.8° | 60.0° |
| O20 | C21 | C23 | H232 | 30.6° | 60.0° |
| C22 | C51 | C52 | C23 | 25.4° | 180.0° |
| C22 | C51 | C52 | H511 | 119.4° | 120.0° |
| C22 | C51 | C52 | H512 | 119.3° | 120.0° |
| C51 | C22 | H222 | H221 | 120.0° | 120.0° |
| C51 | C22 | H222 | H2 | 120.0° | 120.0° |
| C51 | C22 | H221 | H2 | 120.0° | 120.0° |
| C22 | C51 | H511 | H512 | 121.9° | 120.1° |
| C22 | C51 | C52 | H521 | 93.7° | 60.0° |
| C22 | C51 | C52 | H522 | 144.4° | 60.0° |
| C26 | C24 | C16 | C25 | 118.9° | 119.9° |
| C26 | C24 | C16 | C27 | 119.2° | 120.1° |
| C26 | C24 | C25 | C27 | 119.9° | 120.1° |
| C26 | C24 | C16 | C01 | 172.4° | 60.0° |
| C26 | C24 | C16 | N17 | 67.6° | 179.9° |
| C24 | C26 | H262 | H263 | 120.0° | 119.9° |
| C24 | C26 | H262 | H261 | 120.0° | 120.0° |
| C24 | C26 | H263 | H261 | 120.0° | 120.0° |
| C26 | C24 | C16 | H161 | 53.6° | 59.9° |
| C26 | C24 | C25 | H251 | 180.0° | 60.0° |
| C26 | C24 | C25 | H252 | 60.0° | 179.9° |
| C26 | C24 | C25 | H253 | 60.0° | 60.0° |
| C26 | C24 | C27 | H272 | 180.0° | 60.0° |
| C26 | C24 | C27 | H273 | 60.0° | 179.9° |
| C26 | C24 | C27 | H271 | 60.0° | 60.0° |
| C16 | C24 | C25 | C27 | 122.4° | 120.0° |
| C24 | C16 | C01 | N17 | 121.5° | 120.1° |
| C24 | C16 | C01 | H161 | 118.6° | 119.9° |
| C24 | C16 | C01 | N14 | 114.0° | 95.8° |
| C24 | C16 | C01 | O15 | 66.9° | 84.2° |
| C24 | C16 | N17 | H161 | 120.3° | 120.0° |
| C24 | C16 | N17 | C18 | 146.3° | 85.0° |
| C16 | C24 | C26 | H262 | 180.0° | 55.7° |
| C16 | C24 | C26 | H263 | 60.0° | 175.6° |
| C16 | C24 | C26 | H261 | 60.0° | 64.3° |
| C16 | C24 | C25 | H251 | 62.3° | 180.0° |
| C16 | C24 | C25 | H252 | 177.7° | 60.0° |
| C16 | C24 | C25 | H253 | 57.7° | 60.0° |
| C16 | C24 | C27 | H272 | 62.9° | 60.0° |
| C16 | C24 | C27 | H273 | 57.1° | 60.0° |
| C16 | C24 | C27 | H271 | 177.1° | 180.0° |
| C24 | C16 | N17 | H171 | 33.7° | 95.0° |
| C25 | C24 | C16 | C01 | 68.6° | 59.9° |
| C25 | C24 | C16 | N17 | 51.3° | 60.2° |
| C25 | C24 | C26 | H262 | 58.6° | 175.6° |
| C25 | C24 | C26 | H263 | 178.6° | 64.4° |
| C25 | C24 | C26 | H261 | 61.4° | 55.6° |
| C25 | C24 | C16 | H161 | 172.5° | 179.8° |
| C24 | C25 | H251 | H252 | 120.0° | 120.0° |
| C24 | C25 | H251 | H253 | 120.0° | 120.0° |
| C24 | C25 | H252 | H253 | 120.0° | 120.0° |
| C25 | C24 | C27 | H272 | 60.9° | 180.0° |
| C25 | C24 | C27 | H273 | 179.1° | 60.0° |
| C25 | C24 | C27 | H271 | 59.1° | 60.0° |
| C27 | C24 | C16 | C01 | 53.2° | 179.9° |
| C27 | C24 | C16 | N17 | 173.2° | 59.8° |
| C27 | C24 | C26 | H262 | 60.7° | 64.3° |
| C27 | C24 | C26 | H263 | 59.2° | 55.6° |
| C27 | C24 | C26 | H261 | 179.2° | 175.6° |
| C27 | C24 | C16 | H161 | 65.7° | 60.2° |
| C27 | C24 | C25 | H251 | 60.1° | 60.0° |
| C27 | C24 | C25 | H252 | 60.0° | 60.0° |
| C27 | C24 | C25 | H253 | 179.9° | 180.0° |
| C24 | C27 | H272 | H273 | 120.0° | 120.0° |
| C24 | C27 | H272 | H271 | 120.0° | 120.0° |
| C24 | C27 | H273 | H271 | 120.0° | 120.0° |
| C16 | C01 | N14 | O15 | 179.1° | 180.0° |
| C16 | C01 | N14 | C04 | 0.5° | 5.2° |
| C01 | C16 | N17 | H161 | 119.2° | 120.0° |
| C01 | C16 | N17 | C18 | 93.2° | 155.0° |
| C01 | C16 | N17 | H171 | 86.9° | 25.0° |
| C01 | N14 | C04 | C02 | 159.6° | 155.8° |
| N14 | C01 | C16 | N17 | 124.5° | 144.1° |
| C01 | N14 | C13 | H131 | 70.3° | 61.6° |
| C01 | N14 | C04 | H041 | 81.8° | 36.9° |
| C01 | N14 | C04 | H042 | 41.1° | 85.3° |
| N14 | C01 | C16 | H161 | 4.6° | 24.1° |
| O15 | C01 | N14 | C04 | 179.6° | 174.7° |
| O15 | C01 | C16 | N17 | 54.6° | 35.8° |
| O15 | C01 | C16 | H161 | 174.5° | 155.8° |
| C03 | C02 | C04 | O28 | 117.4° | 118.1° |
| C03 | C02 | C04 | H021 | 117.2° | 118.1° |
| C03 | C02 | O28 | H021 | 128.6° | 123.9° |
| C03 | C02 | C04 | N14 | 41.9° | 37.0° |
| C03 | C02 | O28 | C29 | 90.2° | 150.0° |
| C02 | C03 | C13 | H131 | 83.0° | 141.8° |
| C02 | C03 | H031 | H032 | 123.9° | 123.3° |
| C03 | C02 | C04 | H041 | 76.7° | 155.8° |
| C03 | C02 | C04 | H042 | 160.5° | 81.9° |
| C04 | C02 | O28 | H021 | 122.9° | 123.9° |
| C02 | C04 | N14 | H041 | 118.6° | 118.9° |
| C02 | C04 | N14 | H042 | 118.6° | 118.9° |
| C04 | C02 | O28 | C29 | 161.3° | 97.8° |
| C04 | C02 | C03 | H031 | 69.8° | 153.9° |
| C04 | C02 | C03 | H032 | 167.5° | 82.8° |
| C02 | C04 | H041 | H042 | 124.0° | 122.3° |
| O28 | C02 | C04 | N14 | 75.5° | 155.1° |
| C02 | O28 | C29 | C30 | 171.1° | 180.0° |
| C02 | O28 | C29 | N39 | 7.8° | 0.3° |
| O28 | C02 | C03 | H031 | 178.5° | 88.1° |
| O28 | C02 | C03 | H032 | 55.8° | 35.2° |
| O28 | C02 | C04 | H041 | 165.9° | 86.1° |
| O28 | C02 | C04 | H042 | 43.1° | 36.2° |
| C04 | N14 | C13 | H131 | 111.5° | 118.4° |
| N14 | C04 | C02 | H021 | 159.1° | 81.1° |
| N14 | C04 | H041 | H042 | 124.0° | 122.2° |
| C05 | C06 | C07 | H061 | 180.0° | 180.0° |
| C05 | C06 | C07 | C08 | 167.7° | 171.3° |
| C05 | C06 | C07 | C09 | 124.2° | 120.0° |
| C06 | C05 | H051 | H052 | 180.0° | 179.9° |
| C05 | C06 | C07 | H071 | 22.3° | 25.7° |
| C06 | C07 | C08 | C09 | 107.5° | 107.5° |
| C06 | C07 | C08 | H071 | 145.4° | 145.0° |
| C06 | C07 | C09 | H071 | 146.4° | 145.0° |
| C06 | C07 | C09 | C42 | 4.7° | 0.0° |
| C06 | C07 | C09 | N10 | 149.8° | 145.0° |
| C07 | C06 | C05 | H051 | 0.0° | 180.0° |
| C07 | C06 | C05 | H052 | 180.0° | 0.1° |
| C06 | C07 | C08 | H081 | 1.9° | 0.0° |
| C06 | C07 | C08 | H082 | 143.0° | 145.0° |
| C08 | C07 | C09 | H071 | 107.1° | 107.4° |
| C07 | C08 | C09 | H081 | 109.5° | 107.5° |
| C07 | C08 | C09 | H082 | 109.5° | 107.5° |
| C08 | C07 | C09 | C42 | 101.9° | 107.5° |
| C08 | C07 | C09 | N10 | 103.7° | 107.5° |
| C08 | C07 | C06 | H061 | 12.3° | 8.6° |
| C07 | C08 | H081 | H082 | 144.7° | 145.8° |
| C07 | C09 | C42 | N10 | 152.1° | 145.7° |
| C07 | C09 | N10 | C11 | 78.8° | 60.3° |
| C07 | C09 | C42 | N44 | 143.8° | 84.3° |
| C07 | C09 | C42 | O43 | 38.3° | 95.7° |
| C09 | C07 | C06 | H061 | 55.8° | 60.0° |
| C07 | C09 | N10 | H101 | 101.2° | 119.7° |
| C08 | C09 | C42 | N10 | 140.1° | 145.7° |
| C08 | C09 | N10 | C11 | 144.8° | 128.9° |
| C08 | C09 | C42 | N44 | 148.5° | 152.9° |
| C08 | C09 | C42 | O43 | 29.5° | 27.1° |
| C09 | C08 | H081 | H082 | 144.8° | 145.7° |
| C08 | C09 | N10 | H101 | 35.2° | 51.1° |
| C42 | C09 | N10 | C11 | 74.8° | 85.4° |
| C09 | C42 | N44 | O43 | 178.0° | 180.0° |
| C09 | C42 | N44 | S45 | 179.4° | 174.7° |
| C42 | C09 | C07 | H071 | 151.0° | 145.1° |
| C42 | C09 | C08 | H081 | 1.9° | 0.0° |
| C42 | C09 | C08 | H082 | 139.2° | 145.0° |
| C42 | C09 | N10 | H101 | 105.2° | 94.6° |
| C09 | C42 | N44 | H441 | 0.6° | 5.2° |
| C09 | N10 | C11 | H101 | 180.0° | 180.0° |
| C09 | N10 | C11 | O12 | 3.7° | 5.2° |
| N10 | C09 | C42 | N44 | 8.3° | 61.4° |
| N10 | C09 | C42 | O43 | 169.6° | 118.6° |
| N10 | C09 | C07 | H071 | 3.4° | 0.0° |
| N10 | C09 | C08 | H081 | 145.8° | 145.0° |
| N10 | C09 | C08 | H082 | 4.7° | 0.0° |
| N10 | C11 | C13 | H131 | 13.5° | 59.6° |
| O12 | C11 | C13 | H131 | 164.8° | 120.4° |
| O12 | C11 | N10 | H101 | 176.3° | 174.8° |
| C16 | N17 | C18 | H171 | 180.0° | 180.0° |
| C16 | N17 | C18 | O19 | 8.5° | 0.0° |
| C16 | N17 | C18 | O20 | 172.4° | 180.0° |
| N17 | C18 | O19 | O20 | 179.0° | 180.0° |
| C18 | N17 | C16 | H161 | 26.0° | 35.0° |
| O19 | C18 | N17 | H171 | 171.5° | 180.0° |
| C18 | O20 | C21 | H1 | 43.2° | 60.0° |
| C18 | O20 | C21 | H211 | 162.6° | 60.0° |
| O20 | C18 | N17 | H171 | 7.6° | 0.0° |
| C23 | C52 | C51 | H521 | 119.1° | 120.1° |
| C23 | C52 | C51 | H522 | 119.1° | 119.9° |
| C52 | C23 | C21 | H1 | 150.9° | 60.0° |
| C52 | C23 | C21 | H211 | 31.5° | 60.0° |
| C52 | C23 | H231 | H232 | 121.7° | 120.0° |
| C23 | C52 | C51 | H511 | 94.0° | 60.0° |
| C23 | C52 | C51 | H512 | 144.7° | 60.0° |
| C23 | C52 | H521 | H522 | 122.6° | 120.0° |
| C30 | C29 | N39 | O28 | 179.0° | 179.7° |
| C29 | C30 | N32 | CL | 178.7° | 179.9° |
| C29 | C30 | N32 | C33 | 1.0° | 0.0° |
| C30 | C29 | N39 | C38 | 1.1° | 0.0° |
| N39 | C29 | C30 | N32 | 0.8° | 0.0° |
| N39 | C29 | C30 | CL | 179.5° | 180.0° |
| C29 | N39 | C38 | C33 | 1.7° | 0.0° |
| C29 | N39 | C38 | C37 | 179.7° | 180.0° |
| O28 | C29 | C30 | N32 | 179.8° | 179.7° |
| O28 | C29 | C30 | CL | 1.5° | 0.3° |
| O28 | C29 | N39 | C38 | 180.0° | 179.7° |
| C29 | O28 | C02 | H021 | 38.4° | 26.1° |
| C30 | N32 | C33 | C34 | 179.8° | 180.0° |
| C30 | N32 | C33 | C38 | 1.4° | 0.0° |
| CL | C30 | N32 | C33 | 179.7° | 180.0° |
| C34 | C33 | C38 | N32 | 178.3° | 180.0° |
| C33 | C34 | C35 | H341 | 180.0° | 180.0° |
| C33 | C34 | C35 | C36 | 0.4° | 0.0° |
| C34 | C33 | C38 | C37 | 1.9° | 0.0° |
| C34 | C33 | C38 | N39 | 179.8° | 180.0° |
| C33 | C34 | C35 | H351 | 179.6° | 180.0° |
| C38 | C33 | C34 | C35 | 1.5° | 0.0° |
| C33 | C38 | C37 | C36 | 1.1° | 0.1° |
| C33 | C38 | C37 | N39 | 178.1° | 180.0° |
| C38 | C33 | C34 | H341 | 178.5° | 180.0° |
| C33 | C38 | C37 | H371 | 178.9° | 180.0° |
| N32 | C33 | C34 | C35 | 179.8° | 180.0° |
| N32 | C33 | C38 | C37 | 179.8° | 180.0° |
| N32 | C33 | C38 | N39 | 1.9° | 0.0° |
| N32 | C33 | C34 | H341 | 0.2° | 0.0° |
| C34 | C35 | C36 | H351 | 180.0° | 180.0° |
| C34 | C35 | C36 | C37 | 0.4° | 0.0° |
| C34 | C35 | C36 | O40 | 179.2° | 180.0° |
| C35 | C36 | C37 | O40 | 178.8° | 179.9° |
| C35 | C36 | C37 | C38 | 0.0° | 0.1° |
| C35 | C36 | O40 | C41 | 177.5° | 0.0° |
| C36 | C35 | C34 | H341 | 179.7° | 180.0° |
| C35 | C36 | C37 | H371 | 180.0° | 180.0° |
| C36 | C37 | C38 | H371 | 180.0° | 179.9° |
| C36 | C37 | C38 | N39 | 179.2° | 180.0° |
| C37 | C36 | O40 | C41 | 3.6° | 180.0° |
| C37 | C36 | C35 | H351 | 179.6° | 179.9° |
| O40 | C36 | C37 | C38 | 178.9° | 180.0° |
| O40 | C36 | C35 | H351 | 0.8° | 0.0° |
| O40 | C36 | C37 | H371 | 1.1° | 0.1° |
| C36 | O40 | C41 | H412 | 180.0° | 180.0° |
| C36 | O40 | C41 | H411 | 60.0° | 60.0° |
| C36 | O40 | C41 | H413 | 60.0° | 60.0° |
| N39 | C38 | C37 | H371 | 0.8° | 0.0° |
| O40 | C41 | H412 | H411 | 120.0° | 120.1° |
| O40 | C41 | H412 | H413 | 120.0° | 120.0° |
| O40 | C41 | H411 | H413 | 120.0° | 119.9° |
| C42 | N44 | S45 | C48 | 177.6° | 65.0° |
| C42 | N44 | S45 | H441 | 180.0° | 180.0° |
| C42 | N44 | S45 | O46 | 58.4° | 51.1° |
| C42 | N44 | S45 | O47 | 62.6° | 178.9° |
| O43 | C42 | N44 | S45 | 2.7° | 5.3° |
| O43 | C42 | N44 | H441 | 177.3° | 174.8° |
| C49 | C48 | C50 | C53 | 109.4° | 107.5° |
| C49 | C48 | C50 | S45 | 102.0° | 107.5° |
| C49 | C48 | C53 | S45 | 142.2° | 145.7° |
| C48 | C49 | C50 | H492 | 109.4° | 107.5° |
| C48 | C49 | C50 | H491 | 109.4° | 107.5° |
| C49 | C48 | S45 | N44 | 163.5° | 179.9° |
| C49 | C48 | S45 | O46 | 36.7° | 68.3° |
| C49 | C48 | S45 | O47 | 81.8° | 68.4° |
| C48 | C49 | H492 | H491 | 144.9° | 145.6° |
| C49 | C48 | C50 | H502 | 109.5° | 107.5° |
| C49 | C48 | C50 | H501 | 109.5° | 107.5° |
| C49 | C48 | C53 | H531 | 180.0° | 60.0° |
| C49 | C48 | C53 | H532 | 60.0° | 179.9° |
| C49 | C48 | C53 | H533 | 60.0° | 60.0° |
| C50 | C48 | C53 | S45 | 148.1° | 145.7° |
| C50 | C48 | S45 | N44 | 96.6° | 111.4° |
| C50 | C48 | S45 | O46 | 30.2° | 0.2° |
| C50 | C48 | S45 | O47 | 148.6° | 137.0° |
| C48 | C50 | H502 | H501 | 144.7° | 145.7° |
| C50 | C48 | C53 | H531 | 110.3° | 8.6° |
| C50 | C48 | C53 | H532 | 129.7° | 111.3° |
| C50 | C48 | C53 | H533 | 9.7° | 128.6° |
| C53 | C48 | S45 | N44 | 51.9° | 34.3° |
| C53 | C48 | S45 | O46 | 178.7° | 145.9° |
| C53 | C48 | S45 | O47 | 62.8° | 77.3° |
| C53 | C48 | C49 | H492 | 2.1° | 0.1° |
| C53 | C48 | C49 | H491 | 143.3° | 145.0° |
| C53 | C48 | C50 | H502 | 141.1° | 145.0° |
| C53 | C48 | C50 | H501 | 0.1° | 0.0° |
| C48 | C53 | H531 | H532 | 120.0° | 119.9° |
| C48 | C53 | H531 | H533 | 120.0° | 120.0° |
| C48 | C53 | H532 | H533 | 119.9° | 120.0° |
| C48 | S45 | N44 | O46 | 124.0° | 116.1° |
| C48 | S45 | N44 | O47 | 114.9° | 116.1° |
| C48 | S45 | O46 | O47 | 118.0° | 131.5° |
| S45 | C48 | C49 | H492 | 142.0° | 145.0° |
| S45 | C48 | C49 | H491 | 0.9° | 0.0° |
| S45 | C48 | C50 | H502 | 7.5° | 0.0° |
| S45 | C48 | C50 | H501 | 148.5° | 145.0° |
| S45 | C48 | C53 | H531 | 37.8° | 154.3° |
| S45 | C48 | C53 | H532 | 82.2° | 34.4° |
| S45 | C48 | C53 | H533 | 157.8° | 85.7° |
| C48 | S45 | N44 | H441 | 2.4° | 115.0° |
| C50 | C49 | H492 | H491 | 144.9° | 145.7° |
| C49 | C50 | H502 | H501 | 144.8° | 145.7° |
| C52 | C51 | C22 | H222 | 180.0° | 180.0° |
| C52 | C51 | C22 | H221 | 60.0° | 60.0° |
| C52 | C51 | C22 | H2 | 60.0° | 60.0° |
| C51 | C52 | C23 | H231 | 116.8° | 60.0° |
| C51 | C52 | C23 | H232 | 122.0° | 60.1° |
| C52 | C51 | H511 | H512 | 121.9° | 119.9° |
| C51 | C52 | H521 | H522 | 122.7° | 120.0° |
| N44 | S45 | O46 | O47 | 120.5° | 116.7° |
| O46 | S45 | N44 | H441 | 121.6° | 128.9° |
| O47 | S45 | N44 | H441 | 117.4° | 1.1° |
| H131 | C13 | C03 | H031 | 158.3° | 99.9° |
| H131 | C13 | C03 | H032 | 35.6° | 23.4° |
| H1 | C21 | C23 | H231 | 31.5° | 60.0° |
| H1 | C21 | C23 | H232 | 89.7° | 180.0° |
| H211 | C21 | C23 | H231 | 87.9° | 180.0° |
| H211 | C21 | C23 | H232 | 150.9° | 60.0° |
| H222 | C22 | H221 | H2 | 120.0° | 120.0° |
| H222 | C22 | C51 | H511 | 60.6° | 60.0° |
| H222 | C22 | C51 | H512 | 60.7° | 60.0° |
| H221 | C22 | C51 | H511 | 59.4° | 60.0° |
| H221 | C22 | C51 | H512 | 179.4° | NaN° |
| H2 | C22 | C51 | H511 | 179.4° | 180.0° |
| H2 | C22 | C51 | H512 | 59.3° | 60.0° |
| H262 | C26 | H263 | H261 | 120.0° | 120.0° |
| H021 | C02 | C03 | H031 | 47.7° | 35.8° |
| H021 | C02 | C03 | H032 | 75.0° | 159.1° |
| H021 | C02 | C04 | H041 | 40.5° | 37.7° |
| H021 | C02 | C04 | H042 | 82.3° | 160.0° |
| H051 | C05 | C06 | H061 | 180.0° | 0.1° |
| H052 | C05 | C06 | H061 | 0.0° | 180.0° |
| H061 | C06 | C07 | H071 | 157.8° | 154.3° |
| H071 | C07 | C08 | H081 | 143.4° | 145.0° |
| H071 | C07 | C08 | H082 | 2.4° | 0.0° |
| H161 | C16 | N17 | H171 | 154.0° | 145.0° |
| H231 | C23 | C52 | H521 | 2.3° | NaN° |
| H231 | C23 | C52 | H522 | 124.1° | 60.0° |
| H232 | C23 | C52 | H521 | 118.8° | 60.0° |
| H232 | C23 | C52 | H522 | 3.0° | 180.0° |
| H251 | C25 | H252 | H253 | 120.0° | 120.0° |
| H272 | C27 | H273 | H271 | 120.0° | 120.0° |
| H341 | C34 | C35 | H351 | 0.3° | 0.0° |
| H412 | C41 | H411 | H413 | 120.0° | 120.0° |
| H492 | C49 | C50 | H502 | 141.1° | 145.0° |
| H492 | C49 | C50 | H501 | 0.1° | 0.0° |
| H491 | C49 | C50 | H502 | 0.1° | 0.0° |
| H491 | C49 | C50 | H501 | 141.2° | 145.0° |
| H511 | C51 | C52 | H521 | 146.9° | 60.1° |
| H511 | C51 | C52 | H522 | 25.1° | 179.9° |
| H512 | C51 | C52 | H521 | 25.6° | 180.0° |
| H512 | C51 | C52 | H522 | 96.2° | 60.0° |
| H531 | C53 | H532 | H533 | 120.0° | 120.1° |
