YSR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C19 | S18 | sing | 1.81Å | 1.80Å | |
| O20 | S18 | doub | 1.42Å | 1.47Å | |
| S18 | O21 | doub | 1.42Å | 1.48Å | |
| S18 | N17 | sing | 1.66Å | 1.65Å | |
| N17 | C16 | sing | 1.39Å | 1.42Å | |
| C16 | C22 | doub | 1.39Å | 1.37Å | Aromatic |
| C16 | C13 | sing | 1.41Å | 1.37Å | Aromatic |
| N15 | C14 | trip | 1.14Å | 1.13Å | |
| C22 | C23 | sing | 1.38Å | 1.37Å | Aromatic |
| C14 | C13 | sing | 1.43Å | 1.51Å | |
| C13 | C12 | doub | 1.39Å | 1.37Å | Aromatic |
| C23 | C11 | doub | 1.40Å | 1.37Å | Aromatic |
| C12 | C11 | sing | 1.39Å | 1.37Å | Aromatic |
| O09 | C07 | doub | 1.22Å | 1.26Å | |
| C11 | C10 | sing | 1.48Å | 1.49Å | |
| C07 | O08 | sing | 1.35Å | 1.23Å | |
| C07 | C06 | sing | 1.46Å | 1.47Å | |
| C10 | C06 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C24 | sing | 1.47Å | 1.41Å | Aromatic |
| C06 | N05 | sing | 1.38Å | 1.32Å | Aromatic |
| C24 | C25 | doub | 1.40Å | 1.41Å | Aromatic |
| C24 | C04 | sing | 1.41Å | 1.40Å | Aromatic |
| C25 | C26 | sing | 1.37Å | 1.37Å | Aromatic |
| N05 | C04 | sing | 1.38Å | 1.35Å | Aromatic |
| C04 | C03 | doub | 1.39Å | 1.41Å | Aromatic |
| C26 | C27 | doub | 1.39Å | 1.40Å | Aromatic |
| O39 | C38 | doub | 1.22Å | 1.15Å | |
| C03 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| C03 | C02 | sing | 1.51Å | 1.52Å | |
| C38 | O37 | sing | 1.34Å | 1.41Å | |
| C38 | N28 | sing | 1.34Å | 1.45Å | |
| O37 | C30 | sing | 1.46Å | 1.35Å | |
| N28 | C02 | sing | 1.46Å | 1.45Å | |
| N28 | C29 | sing | 1.47Å | 1.39Å | |
| C30 | C31 | sing | 1.53Å | 1.51Å | |
| C30 | C29 | sing | 1.54Å | 1.43Å | |
| C02 | C01 | sing | 1.53Å | 1.50Å | |
| C31 | N32 | sing | 1.47Å | 1.42Å | |
| N32 | C33 | sing | 1.48Å | 1.49Å | |
| N32 | C36 | sing | 1.48Å | 1.48Å | |
| C33 | C34 | sing | 1.54Å | 1.48Å | |
| C36 | C34 | sing | 1.54Å | 1.49Å | |
| C34 | N35 | sing | 1.47Å | 1.45Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C19 | H193 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.08Å | 1.08Å | |
| C23 | H231 | sing | 1.08Å | 1.08Å | |
| C25 | H251 | sing | 1.08Å | 1.08Å | |
| C26 | H261 | sing | 1.08Å | 1.08Å | |
| C27 | H271 | sing | 1.08Å | 1.08Å | |
| C29 | H1 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C30 | H2 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å | |
| N05 | H051 | sing | 0.97Å | 1.00Å | |
| N17 | H171 | sing | 0.97Å | 1.00Å | |
| N35 | H352 | sing | 1.01Å | 1.00Å | |
| N35 | H351 | sing | 1.01Å | 1.00Å | |
| O08 | H5 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C19 | S18 | O20 | 113.0° | 110.5° |
| C19 | S18 | O21 | 110.3° | 110.6° |
| C19 | S18 | N17 | 102.9° | 104.5° |
| S18 | C19 | H193 | 109.5° | 109.5° |
| S18 | C19 | H191 | 109.5° | 109.4° |
| S18 | C19 | H192 | 109.5° | 109.5° |
| O20 | S18 | O21 | 102.3° | 121.1° |
| O20 | S18 | N17 | 110.2° | 104.3° |
| O21 | S18 | N17 | 118.5° | 104.2° |
| S18 | N17 | C16 | 119.4° | 120.0° |
| S18 | N17 | H171 | 106.9° | 120.0° |
| N17 | C16 | C22 | 125.1° | 120.1° |
| N17 | C16 | C13 | 115.2° | 120.0° |
| C16 | N17 | H171 | 106.9° | 120.0° |
| C22 | C16 | C13 | 119.8° | 119.9° |
| C16 | C22 | C23 | 118.7° | 120.2° |
| C16 | C22 | H221 | 120.6° | 119.9° |
| C16 | C13 | C14 | 119.3° | 120.1° |
| C16 | C13 | C12 | 121.7° | 119.8° |
| N15 | C14 | C13 | 179.2° | 180.0° |
| C22 | C23 | C11 | 121.3° | 120.3° |
| C23 | C22 | H221 | 120.7° | 119.9° |
| C22 | C23 | H231 | 119.3° | 119.8° |
| C14 | C13 | C12 | 119.0° | 120.1° |
| C13 | C12 | C11 | 118.6° | 119.8° |
| C13 | C12 | H121 | 120.7° | 120.1° |
| C23 | C11 | C12 | 119.8° | 120.0° |
| C23 | C11 | C10 | 119.6° | 120.0° |
| C11 | C23 | H231 | 119.4° | 119.9° |
| C12 | C11 | C10 | 120.2° | 120.0° |
| C11 | C12 | H121 | 120.7° | 120.1° |
| O09 | C07 | O08 | 122.2° | 119.9° |
| O09 | C07 | C06 | 117.8° | 120.0° |
| C11 | C10 | C06 | 130.5° | 126.8° |
| C11 | C10 | C24 | 123.5° | 126.8° |
| O08 | C07 | C06 | 119.5° | 120.1° |
| C07 | O08 | H5 | 109.5° | 114.0° |
| C07 | C06 | C10 | 129.3° | 125.6° |
| C07 | C06 | N05 | 119.6° | 125.5° |
| C06 | C10 | C24 | 105.7° | 106.5° |
| C10 | C06 | N05 | 110.7° | 108.9° |
| C10 | C24 | C25 | 134.0° | 133.6° |
| C10 | C24 | C04 | 106.3° | 106.5° |
| C06 | N05 | C04 | 108.9° | 110.1° |
| C06 | N05 | H051 | 125.5° | 125.0° |
| C25 | C24 | C04 | 119.6° | 120.0° |
| C24 | C25 | C26 | 118.5° | 119.8° |
| C24 | C25 | H251 | 120.8° | 120.1° |
| C24 | C04 | N05 | 108.3° | 108.0° |
| C24 | C04 | C03 | 121.9° | 119.2° |
| C25 | C26 | C27 | 122.0° | 120.5° |
| C26 | C25 | H251 | 120.8° | 120.1° |
| C25 | C26 | H261 | 119.0° | 119.7° |
| N05 | C04 | C03 | 129.8° | 132.8° |
| C04 | N05 | H051 | 125.6° | 124.9° |
| C04 | C03 | C27 | 117.4° | 119.9° |
| C04 | C03 | C02 | 121.1° | 120.1° |
| C26 | C27 | C03 | 120.6° | 120.7° |
| C27 | C26 | H261 | 119.0° | 119.8° |
| C26 | C27 | H271 | 119.7° | 119.6° |
| O39 | C38 | O37 | 123.3° | 123.1° |
| O39 | C38 | N28 | 129.0° | 123.2° |
| C27 | C03 | C02 | 121.4° | 120.1° |
| C03 | C27 | H271 | 119.7° | 119.7° |
| C03 | C02 | N28 | 109.0° | 109.5° |
| C03 | C02 | C01 | 114.6° | 109.5° |
| C03 | C02 | H021 | 106.5° | 109.5° |
| O37 | C38 | N28 | 107.5° | 113.7° |
| C38 | O37 | C30 | 106.9° | 109.4° |
| C38 | N28 | C02 | 121.1° | 125.5° |
| C38 | N28 | C29 | 108.1° | 108.9° |
| O37 | C30 | C31 | 115.9° | 110.5° |
| O37 | C30 | C29 | 112.1° | 104.0° |
| O37 | C30 | H2 | 90.8° | 110.6° |
| C02 | N28 | C29 | 130.4° | 125.6° |
| N28 | C02 | C01 | 112.3° | 109.5° |
| N28 | C02 | H021 | 107.4° | 109.5° |
| N28 | C29 | C30 | 105.2° | 103.9° |
| N28 | C29 | H1 | 110.5° | 110.6° |
| N28 | C29 | H291 | 110.5° | 110.6° |
| C31 | C30 | C29 | 132.0° | 110.5° |
| C30 | C31 | N32 | 110.7° | 109.4° |
| C31 | C30 | H2 | 90.7° | 110.5° |
| C30 | C31 | H311 | 109.2° | 109.5° |
| C30 | C31 | H312 | 109.1° | 109.5° |
| C30 | C29 | H1 | 110.5° | 110.5° |
| C30 | C29 | H291 | 110.5° | 110.5° |
| C29 | C30 | H2 | 90.7° | 110.5° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C02 | C01 | H013 | 109.4° | 109.5° |
| C01 | C02 | H021 | 106.7° | 109.5° |
| C31 | N32 | C33 | 108.8° | 111.0° |
| C31 | N32 | C36 | 108.6° | 111.0° |
| N32 | C31 | H311 | 109.2° | 109.4° |
| N32 | C31 | H312 | 109.2° | 109.5° |
| C33 | N32 | C36 | 90.3° | 90.7° |
| N32 | C33 | C34 | 89.0° | 86.2° |
| N32 | C33 | H332 | 114.3° | 113.8° |
| N32 | C33 | H331 | 114.3° | 113.8° |
| N32 | C36 | C34 | 89.1° | 86.2° |
| N32 | C36 | H361 | 114.3° | 113.7° |
| N32 | C36 | H362 | 114.3° | 113.9° |
| C33 | C34 | C36 | 90.5° | 86.3° |
| C33 | C34 | N35 | 110.5° | 113.8° |
| C34 | C33 | H332 | 114.3° | 113.8° |
| C34 | C33 | H331 | 114.3° | 113.8° |
| C33 | C34 | H341 | 113.7° | 113.7° |
| C36 | C34 | N35 | 111.9° | 113.8° |
| C36 | C34 | H341 | 113.6° | 113.8° |
| C34 | C36 | H361 | 114.3° | 113.8° |
| C34 | C36 | H362 | 114.3° | 113.8° |
| N35 | C34 | H341 | 114.3° | 112.9° |
| C34 | N35 | H352 | 109.5° | 111.0° |
| C34 | N35 | H351 | 109.5° | 111.0° |
| H193 | C19 | H191 | 109.5° | 109.5° |
| H193 | C19 | H192 | 109.4° | 109.5° |
| H191 | C19 | H192 | 109.5° | 109.5° |
| H011 | C01 | H012 | 109.5° | 109.4° |
| H011 | C01 | H013 | 109.5° | 109.4° |
| H012 | C01 | H013 | 109.5° | 109.5° |
| H1 | C29 | H291 | 109.5° | 110.5° |
| H311 | C31 | H312 | 109.5° | 109.5° |
| H332 | C33 | H331 | 109.5° | 112.9° |
| H361 | C36 | H362 | 109.5° | 112.9° |
| H352 | N35 | H351 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C19 | S18 | O20 | O21 | 118.6° | 131.6° |
| C19 | S18 | O20 | N17 | 114.5° | 111.7° |
| C19 | S18 | O21 | N17 | 118.1° | 111.7° |
| C19 | S18 | N17 | C16 | 173.1° | 59.7° |
| S18 | C19 | H193 | H191 | 120.0° | 119.9° |
| S18 | C19 | H193 | H192 | 120.0° | 120.0° |
| S18 | C19 | H191 | H192 | 120.0° | 120.0° |
| C19 | S18 | N17 | H171 | 51.7° | 120.4° |
| O20 | S18 | O21 | N17 | 121.4° | 116.7° |
| O20 | S18 | N17 | C16 | 66.1° | 56.3° |
| O20 | S18 | C19 | H193 | 180.0° | 51.6° |
| O20 | S18 | C19 | H191 | 60.0° | 171.6° |
| O20 | S18 | C19 | H192 | 60.0° | 68.4° |
| O20 | S18 | N17 | H171 | 172.5° | 123.6° |
| O21 | S18 | N17 | C16 | 51.2° | 175.8° |
| O21 | S18 | C19 | H193 | 66.2° | 171.6° |
| O21 | S18 | C19 | H191 | 53.9° | 51.6° |
| O21 | S18 | C19 | H192 | 173.8° | 68.4° |
| O21 | S18 | N17 | H171 | 70.2° | 4.3° |
| S18 | N17 | C16 | H171 | 121.4° | 180.0° |
| S18 | N17 | C16 | C22 | 13.9° | 35.3° |
| S18 | N17 | C16 | C13 | 167.4° | 144.4° |
| N17 | S18 | C19 | H193 | 61.1° | 60.0° |
| N17 | S18 | C19 | H191 | 178.8° | 60.0° |
| N17 | S18 | C19 | H192 | 58.9° | 180.0° |
| N17 | C16 | C22 | C13 | 178.6° | 179.7° |
| N17 | C16 | C22 | C23 | 179.2° | 180.0° |
| N17 | C16 | C13 | C14 | 0.8° | 0.3° |
| N17 | C16 | C13 | C12 | 178.9° | 179.7° |
| N17 | C16 | C22 | H221 | 0.8° | 0.4° |
| C16 | C22 | C23 | H221 | 180.0° | 179.6° |
| C22 | C16 | C13 | C14 | 179.6° | 180.0° |
| C22 | C16 | C13 | C12 | 0.1° | 0.0° |
| C16 | C22 | C23 | C11 | 4.2° | 0.6° |
| C16 | C22 | C23 | H231 | 175.7° | 179.9° |
| C22 | C16 | N17 | H171 | 135.3° | 144.7° |
| C16 | C13 | C14 | N15 | 92.4° | 2.5° |
| C13 | C16 | C22 | C23 | 2.2° | 0.4° |
| C16 | C13 | C14 | C12 | 179.7° | 180.0° |
| C16 | C13 | C12 | C11 | 0.1° | 0.0° |
| C16 | C13 | C12 | H121 | 179.9° | 180.0° |
| C13 | C16 | C22 | H221 | 177.9° | 180.0° |
| C13 | C16 | N17 | H171 | 46.0° | 35.7° |
| N15 | C14 | C13 | C12 | 87.3° | 177.5° |
| C22 | C23 | C11 | H231 | 180.0° | 179.4° |
| C22 | C23 | C11 | C12 | 4.3° | 0.6° |
| C22 | C23 | C11 | C10 | 177.1° | 179.7° |
| C14 | C13 | C12 | C11 | 179.6° | 180.0° |
| C14 | C13 | C12 | H121 | 0.4° | 0.0° |
| C13 | C12 | C11 | C23 | 2.1° | 0.2° |
| C13 | C12 | C11 | H121 | 180.0° | 180.0° |
| C13 | C12 | C11 | C10 | 174.9° | 180.0° |
| C23 | C11 | C12 | C10 | 172.8° | 179.7° |
| C23 | C11 | C10 | C06 | 127.7° | 115.3° |
| C23 | C11 | C10 | C24 | 58.8° | 64.4° |
| C23 | C11 | C12 | H121 | 177.9° | 179.7° |
| C11 | C23 | C22 | H221 | 175.8° | 179.7° |
| C12 | C11 | C10 | C06 | 59.5° | 65.0° |
| C12 | C11 | C10 | C24 | 114.0° | 115.4° |
| C12 | C11 | C23 | H231 | 175.7° | 180.0° |
| O09 | C07 | O08 | C06 | 171.6° | 180.0° |
| O09 | C07 | C06 | C10 | 29.9° | 0.0° |
| O09 | C07 | C06 | N05 | 142.3° | 180.0° |
| O09 | C07 | O08 | H5 | 0.0° | 0.0° |
| C11 | C10 | C06 | C07 | 12.6° | 0.2° |
| C11 | C10 | C06 | C24 | 174.3° | 179.7° |
| C11 | C10 | C06 | N05 | 174.7° | 179.7° |
| C11 | C10 | C24 | C25 | 4.9° | 0.3° |
| C11 | C10 | C24 | C04 | 176.5° | 179.7° |
| C10 | C11 | C12 | H121 | 5.1° | 0.0° |
| C10 | C11 | C23 | H231 | 2.9° | 0.3° |
| O08 | C07 | C06 | C10 | 158.1° | 180.0° |
| O08 | C07 | C06 | N05 | 29.6° | 0.1° |
| C07 | C06 | C10 | N05 | 172.8° | 179.9° |
| C07 | C06 | C10 | C24 | 173.1° | 179.9° |
| C07 | C06 | N05 | C04 | 172.3° | 180.0° |
| C07 | C06 | N05 | H051 | 7.7° | 0.1° |
| C06 | C07 | O08 | H5 | 171.5° | 180.0° |
| C06 | C10 | C24 | C25 | 179.7° | 180.0° |
| C06 | C10 | C24 | C04 | 1.7° | 0.0° |
| C10 | C06 | N05 | C04 | 1.2° | 0.0° |
| C10 | C06 | N05 | H051 | 178.7° | 180.0° |
| C24 | C10 | C06 | N05 | 0.3° | 0.0° |
| C10 | C24 | C25 | C04 | 178.4° | 179.9° |
| C10 | C24 | C25 | C26 | 176.9° | 179.9° |
| C10 | C24 | C04 | N05 | 2.5° | 0.1° |
| C10 | C24 | C04 | C03 | 177.2° | 180.0° |
| C10 | C24 | C25 | H251 | 3.2° | 0.1° |
| C06 | N05 | C04 | C24 | 2.3° | 0.1° |
| C06 | N05 | C04 | H051 | 180.0° | 180.0° |
| C06 | N05 | C04 | C03 | 177.4° | 180.0° |
| C24 | C25 | C26 | H251 | 180.0° | 180.0° |
| C25 | C24 | C04 | N05 | 178.7° | 180.0° |
| C25 | C24 | C04 | C03 | 1.6° | 0.1° |
| C24 | C25 | C26 | C27 | 0.4° | 0.0° |
| C24 | C25 | C26 | H261 | 179.7° | 179.9° |
| C04 | C24 | C25 | C26 | 1.6° | 0.0° |
| C24 | C04 | N05 | C03 | 179.7° | 179.9° |
| C24 | C04 | C03 | C27 | 0.4° | 0.0° |
| C24 | C04 | C03 | C02 | 177.9° | 180.0° |
| C04 | C24 | C25 | H251 | 178.4° | 180.0° |
| C24 | C04 | N05 | H051 | 177.6° | 180.0° |
| C25 | C26 | C27 | H261 | 180.0° | 179.9° |
| C25 | C26 | C27 | C03 | 0.9° | 0.0° |
| C25 | C26 | C27 | H271 | 179.1° | 180.0° |
| N05 | C04 | C03 | C27 | 180.0° | 180.0° |
| N05 | C04 | C03 | C02 | 1.8° | 0.0° |
| C04 | C03 | C27 | C26 | 0.9° | 0.0° |
| C04 | C03 | C27 | C02 | 178.2° | 180.0° |
| C04 | C03 | C02 | N28 | 93.9° | 74.3° |
| C04 | C03 | C02 | C01 | 139.4° | 165.7° |
| C04 | C03 | C02 | H021 | 21.7° | 45.8° |
| C04 | C03 | C27 | H271 | 179.1° | 180.0° |
| C03 | C04 | N05 | H051 | 2.6° | 0.0° |
| C26 | C27 | C03 | H271 | 180.0° | 180.0° |
| C26 | C27 | C03 | C02 | 179.1° | 180.0° |
| C27 | C26 | C25 | H251 | 179.6° | 180.0° |
| O39 | C38 | O37 | N28 | 175.9° | 180.0° |
| O39 | C38 | O37 | C30 | 179.7° | 180.0° |
| O39 | C38 | N28 | C02 | 7.7° | 0.0° |
| O39 | C38 | N28 | C29 | 179.3° | 179.9° |
| C27 | C03 | C02 | N28 | 84.3° | 105.8° |
| C27 | C03 | C02 | C01 | 42.5° | 14.3° |
| C27 | C03 | C02 | H021 | 160.2° | 134.2° |
| C03 | C27 | C26 | H261 | 179.1° | 180.0° |
| C03 | C02 | N28 | C38 | 80.0° | 62.9° |
| C03 | C02 | N28 | C01 | 128.1° | 120.0° |
| C03 | C02 | N28 | H021 | 115.0° | 120.0° |
| C03 | C02 | N28 | C29 | 91.2° | 117.0° |
| C03 | C02 | C01 | H021 | 117.6° | 120.0° |
| C03 | C02 | C01 | H011 | 180.0° | 60.0° |
| C03 | C02 | C01 | H012 | 60.0° | 180.0° |
| C03 | C02 | C01 | H013 | 60.0° | 60.0° |
| C02 | C03 | C27 | H271 | 0.9° | 0.0° |
| O37 | C38 | N28 | C02 | 176.8° | 180.0° |
| O37 | C38 | N28 | C29 | 3.8° | 0.1° |
| C38 | O37 | C30 | C31 | 179.7° | 118.6° |
| C38 | O37 | C30 | C29 | 2.5° | 0.0° |
| C38 | O37 | C30 | H2 | 88.6° | 118.6° |
| N28 | C38 | O37 | C30 | 3.8° | 0.0° |
| C38 | N28 | C02 | C29 | 171.2° | 179.9° |
| C38 | N28 | C29 | C30 | 2.2° | 0.1° |
| C38 | N28 | C02 | C01 | 151.9° | 57.1° |
| C38 | N28 | C02 | H021 | 34.9° | 177.1° |
| C38 | N28 | C29 | H1 | 117.1° | 118.5° |
| C38 | N28 | C29 | H291 | 121.5° | 118.7° |
| O37 | C30 | C29 | N28 | 0.2° | 0.1° |
| O37 | C30 | C31 | C29 | 177.2° | 114.6° |
| O37 | C30 | C31 | H2 | 91.2° | 122.8° |
| O37 | C30 | C29 | H2 | 91.1° | 118.8° |
| O37 | C30 | C31 | N32 | 173.9° | 70.4° |
| O37 | C30 | C29 | H1 | 119.5° | 118.6° |
| O37 | C30 | C29 | H291 | 119.1° | 118.8° |
| O37 | C30 | C31 | H311 | 65.9° | 169.6° |
| O37 | C30 | C31 | H312 | 53.7° | 49.6° |
| C02 | N28 | C29 | C30 | 174.3° | 180.0° |
| N28 | C02 | C01 | H021 | 117.4° | 120.0° |
| N28 | C02 | C01 | H011 | 55.0° | 180.0° |
| N28 | C02 | C01 | H012 | 65.1° | 60.0° |
| N28 | C02 | C01 | H013 | 174.9° | 60.0° |
| C02 | N28 | C29 | H1 | 55.0° | 61.4° |
| C02 | N28 | C29 | H291 | 66.4° | 61.4° |
| N28 | C29 | C30 | C31 | 177.5° | 118.7° |
| N28 | C29 | C30 | H1 | 119.3° | 118.7° |
| N28 | C29 | C30 | H291 | 119.3° | 118.7° |
| C29 | N28 | C02 | C01 | 36.8° | 123.0° |
| C29 | N28 | C02 | H021 | 153.8° | 3.0° |
| N28 | C29 | H1 | H291 | 122.0° | 122.8° |
| N28 | C29 | C30 | H2 | 91.0° | 118.7° |
| C31 | C30 | C29 | H2 | 91.6° | 122.6° |
| C30 | C31 | N32 | H311 | 120.2° | 120.0° |
| C30 | C31 | N32 | H312 | 120.2° | 120.1° |
| C30 | C31 | N32 | C33 | 174.4° | 170.0° |
| C30 | C31 | N32 | C36 | 88.7° | 90.6° |
| C31 | C30 | C29 | H1 | 63.2° | 0.0° |
| C31 | C30 | C29 | H291 | 58.2° | 122.6° |
| C30 | C31 | H311 | H312 | 119.4° | 120.1° |
| C29 | C30 | C31 | N32 | 8.9° | 175.0° |
| C30 | C29 | H1 | H291 | 122.0° | 122.7° |
| C29 | C30 | C31 | H311 | 111.3° | 55.1° |
| C29 | C30 | C31 | H312 | 129.1° | 65.0° |
| C02 | C01 | H011 | H012 | 120.0° | 120.0° |
| C02 | C01 | H011 | H013 | 120.0° | 120.1° |
| C02 | C01 | H012 | H013 | 120.0° | 120.0° |
| C31 | N32 | C33 | C36 | 109.8° | 112.9° |
| C31 | N32 | C33 | C34 | 102.1° | 137.6° |
| C31 | N32 | C36 | C34 | 102.4° | 137.6° |
| N32 | C31 | C30 | H2 | 82.7° | 52.4° |
| N32 | C31 | H311 | H312 | 119.5° | 120.0° |
| C31 | N32 | C33 | H332 | 14.3° | 108.1° |
| C31 | N32 | C33 | H331 | 141.5° | 23.2° |
| C31 | N32 | C36 | H361 | 141.3° | 23.2° |
| C31 | N32 | C36 | H362 | 14.0° | 108.1° |
| N32 | C33 | C34 | H332 | 116.4° | 114.4° |
| N32 | C33 | C34 | H331 | 116.4° | 114.4° |
| C33 | N32 | C36 | C34 | 7.6° | 24.7° |
| N32 | C33 | C34 | N35 | 106.0° | 138.1° |
| C33 | N32 | C31 | H311 | 65.4° | 70.0° |
| C33 | N32 | C31 | H312 | 54.3° | 50.0° |
| N32 | C33 | H332 | H331 | 129.7° | 131.7° |
| N32 | C33 | C34 | H341 | 123.9° | 90.7° |
| C33 | N32 | C36 | H361 | 108.7° | 89.7° |
| C33 | N32 | C36 | H362 | 124.0° | 139.0° |
| N32 | C36 | C34 | H361 | 116.4° | 114.3° |
| N32 | C36 | C34 | H362 | 116.4° | 114.4° |
| N32 | C36 | C34 | N35 | 104.8° | 138.1° |
| C36 | N32 | C31 | H311 | 31.5° | 29.3° |
| C36 | N32 | C31 | H312 | 151.2° | 149.3° |
| C36 | N32 | C33 | H332 | 124.0° | 139.0° |
| C36 | N32 | C33 | H331 | 108.7° | 89.7° |
| N32 | C36 | C34 | H341 | 124.0° | 90.6° |
| N32 | C36 | H361 | H362 | 129.7° | 131.7° |
| C33 | C34 | C36 | N35 | 112.5° | 114.4° |
| C33 | C34 | C36 | H341 | 116.3° | 114.3° |
| C33 | C34 | N35 | H341 | 129.8° | 131.6° |
| C34 | C33 | H332 | H331 | 129.7° | 131.6° |
| C33 | C34 | C36 | H361 | 108.7° | 90.6° |
| C33 | C34 | C36 | H362 | 124.1° | 138.1° |
| C33 | C34 | N35 | H352 | 180.0° | 180.0° |
| C33 | C34 | N35 | H351 | 60.0° | 56.1° |
| C36 | C34 | N35 | H341 | 130.9° | 131.7° |
| C36 | C34 | C33 | H332 | 124.0° | 138.1° |
| C36 | C34 | C33 | H331 | 108.7° | 90.7° |
| C34 | C36 | H361 | H362 | 129.6° | 131.7° |
| C36 | C34 | N35 | H352 | 80.7° | 83.2° |
| C36 | C34 | N35 | H351 | 39.3° | 40.7° |
| N35 | C34 | C33 | H332 | 10.3° | 107.5° |
| N35 | C34 | C33 | H331 | 137.6° | 23.7° |
| N35 | C34 | C36 | H361 | 138.8° | 23.8° |
| N35 | C34 | C36 | H362 | 11.6° | 107.4° |
| C34 | N35 | H352 | H351 | 120.0° | 123.9° |
| H193 | C19 | H191 | H192 | 120.0° | 120.1° |
| H011 | C01 | H012 | H013 | 120.0° | 119.9° |
| H011 | C01 | C02 | H021 | 62.4° | 60.0° |
| H012 | C01 | C02 | H021 | 177.6° | 60.0° |
| H013 | C01 | C02 | H021 | 57.6° | 180.0° |
| H221 | C22 | C23 | H231 | 4.2° | 0.3° |
| H251 | C25 | C26 | H261 | 0.4° | 0.0° |
| H261 | C26 | C27 | H271 | 0.9° | 0.0° |
| H1 | C29 | C30 | H2 | 28.4° | 122.7° |
| H291 | C29 | C30 | H2 | 149.7° | 0.0° |
| H2 | C30 | C31 | H311 | 157.1° | 67.6° |
| H2 | C30 | C31 | H312 | 37.5° | 172.4° |
| H332 | C33 | C34 | H341 | 119.7° | 23.7° |
| H331 | C33 | C34 | H341 | 7.5° | 154.9° |
| H341 | C34 | C36 | H361 | 7.6° | 155.1° |
| H341 | C34 | C36 | H362 | 119.6° | 23.8° |
| H341 | C34 | N35 | H352 | 50.2° | 48.4° |
| H341 | C34 | N35 | H351 | 170.2° | 172.3° |
