X5F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O16 | C15 | doub | 1.21Å | 1.26Å | |
| O17 | C15 | sing | 1.35Å | 1.26Å | |
| C24 | N25 | sing | 1.47Å | 1.46Å | |
| C24 | C23 | sing | 1.53Å | 1.52Å | |
| C15 | C14 | sing | 1.47Å | 1.54Å | |
| N06 | C05 | sing | 1.35Å | 1.45Å | |
| O07 | C05 | doub | 1.21Å | 1.19Å | |
| N25 | C26 | sing | 1.35Å | 1.42Å | |
| C23 | O22 | sing | 1.43Å | 1.40Å | |
| O37 | C26 | doub | 1.22Å | 1.19Å | |
| C05 | C04 | sing | 1.51Å | 1.53Å | |
| N19 | C20 | sing | 1.46Å | 1.46Å | |
| N19 | C18 | sing | 1.39Å | 1.46Å | |
| C26 | C27 | sing | 1.48Å | 1.50Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| O01 | C02 | doub | 1.22Å | 1.19Å | |
| C14 | C18 | doub | 1.40Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.41Å | 1.39Å | Aromatic |
| O22 | C21 | sing | 1.43Å | 1.40Å | |
| C18 | C38 | sing | 1.39Å | 1.39Å | Aromatic |
| C27 | C36 | doub | 1.40Å | 1.37Å | Aromatic |
| C27 | C28 | sing | 1.40Å | 1.39Å | Aromatic |
| C02 | C13 | sing | 1.48Å | 1.53Å | |
| C02 | N03 | sing | 1.35Å | 1.46Å | |
| C36 | C35 | sing | 1.38Å | 1.38Å | Aromatic |
| C28 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
| C04 | N03 | sing | 1.47Å | 1.46Å | |
| C04 | C08 | sing | 1.53Å | 1.53Å | |
| C13 | C40 | doub | 1.39Å | 1.39Å | Aromatic |
| C35 | C30 | doub | 1.38Å | 1.37Å | Aromatic |
| C29 | C30 | sing | 1.38Å | 1.37Å | Aromatic |
| C38 | C39 | doub | 1.38Å | 1.38Å | Aromatic |
| C30 | S31 | sing | 1.76Å | 1.78Å | |
| N32 | S31 | sing | 1.66Å | 1.63Å | |
| C08 | C09 | sing | 1.53Å | 1.53Å | |
| C40 | C39 | sing | 1.39Å | 1.38Å | Aromatic |
| O34 | S31 | doub | 1.42Å | 1.42Å | |
| S31 | O33 | doub | 1.42Å | 1.48Å | |
| C09 | C10 | sing | 1.51Å | 1.53Å | |
| O12 | C10 | doub | 1.21Å | 1.26Å | |
| C10 | O11 | sing | 1.34Å | 1.26Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.08Å | 1.08Å | |
| C29 | H291 | sing | 1.08Å | 1.08Å | |
| C35 | H351 | sing | 1.08Å | 1.08Å | |
| C36 | H361 | sing | 1.08Å | 1.08Å | |
| C38 | H381 | sing | 1.08Å | 1.08Å | |
| C39 | H391 | sing | 1.08Å | 1.08Å | |
| C40 | H401 | sing | 1.08Å | 1.08Å | |
| N03 | H031 | sing | 0.97Å | 1.00Å | |
| N06 | H061 | sing | 0.97Å | 1.00Å | |
| N06 | H062 | sing | 0.97Å | 1.00Å | |
| N19 | H191 | sing | 0.97Å | 1.00Å | |
| N25 | H251 | sing | 0.97Å | 1.00Å | |
| N32 | H1 | sing | 0.97Å | 1.00Å | |
| N32 | H322 | sing | 0.97Å | 1.00Å | |
| O11 | H2 | sing | 0.97Å | 0.95Å | |
| O17 | H3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O16 | C15 | O17 | 119.3° | 120.0° |
| O16 | C15 | C14 | 120.0° | 120.0° |
| O17 | C15 | C14 | 120.7° | 120.0° |
| C15 | O17 | H3 | 109.5° | 117.0° |
| N25 | C24 | C23 | 110.7° | 109.5° |
| C24 | N25 | C26 | 119.8° | 120.0° |
| N25 | C24 | H241 | 109.1° | 109.4° |
| N25 | C24 | H242 | 109.1° | 109.5° |
| C24 | N25 | H251 | 120.1° | 120.0° |
| C24 | C23 | O22 | 107.2° | 109.4° |
| C24 | C23 | H231 | 110.1° | 109.5° |
| C24 | C23 | H232 | 110.1° | 109.4° |
| C23 | C24 | H241 | 109.2° | 109.5° |
| C23 | C24 | H242 | 109.2° | 109.5° |
| C15 | C14 | C18 | 119.5° | 120.3° |
| C15 | C14 | C13 | 121.2° | 120.2° |
| N06 | C05 | O07 | 120.3° | 120.0° |
| N06 | C05 | C04 | 119.4° | 120.0° |
| C05 | N06 | H061 | 120.0° | 120.0° |
| C05 | N06 | H062 | 120.0° | 120.0° |
| O07 | C05 | C04 | 120.3° | 120.0° |
| N25 | C26 | O37 | 122.5° | 120.0° |
| N25 | C26 | C27 | 116.4° | 120.0° |
| C26 | N25 | H251 | 120.2° | 120.0° |
| C23 | O22 | C21 | 114.3° | 114.0° |
| O22 | C23 | H231 | 110.0° | 109.5° |
| O22 | C23 | H232 | 110.0° | 109.5° |
| O37 | C26 | C27 | 121.1° | 120.0° |
| C05 | C04 | N03 | 114.5° | 109.5° |
| C05 | C04 | C08 | 114.2° | 109.4° |
| C05 | C04 | H041 | 104.6° | 109.5° |
| C20 | N19 | C18 | 121.1° | 120.0° |
| N19 | C20 | C21 | 112.1° | 109.4° |
| N19 | C20 | H201 | 108.8° | 109.5° |
| N19 | C20 | H202 | 108.8° | 109.5° |
| C20 | N19 | H191 | 106.5° | 120.0° |
| N19 | C18 | C14 | 120.4° | 120.1° |
| N19 | C18 | C38 | 119.4° | 120.1° |
| C18 | N19 | H191 | 106.5° | 120.0° |
| C26 | C27 | C36 | 118.2° | 120.2° |
| C26 | C27 | C28 | 121.1° | 120.2° |
| C20 | C21 | O22 | 109.8° | 109.5° |
| C21 | C20 | H201 | 108.8° | 109.5° |
| C21 | C20 | H202 | 108.8° | 109.4° |
| C20 | C21 | H212 | 109.4° | 109.5° |
| C20 | C21 | H211 | 109.4° | 109.5° |
| O01 | C02 | C13 | 121.5° | 120.0° |
| O01 | C02 | N03 | 120.9° | 120.0° |
| C18 | C14 | C13 | 119.3° | 119.5° |
| C14 | C18 | C38 | 120.2° | 119.8° |
| C14 | C13 | C02 | 122.2° | 120.2° |
| C14 | C13 | C40 | 120.2° | 119.6° |
| O22 | C21 | H212 | 109.4° | 109.4° |
| O22 | C21 | H211 | 109.4° | 109.5° |
| C18 | C38 | C39 | 120.3° | 120.3° |
| C18 | C38 | H381 | 119.8° | 119.8° |
| C36 | C27 | C28 | 120.7° | 119.7° |
| C27 | C36 | C35 | 118.3° | 119.9° |
| C27 | C36 | H361 | 120.8° | 120.0° |
| C27 | C28 | C29 | 120.6° | 119.9° |
| C27 | C28 | H281 | 119.7° | 120.0° |
| C13 | C02 | N03 | 117.7° | 120.0° |
| C02 | C13 | C40 | 117.6° | 120.2° |
| C02 | N03 | C04 | 122.1° | 120.0° |
| C02 | N03 | H031 | 119.0° | 120.0° |
| C36 | C35 | C30 | 120.9° | 120.1° |
| C36 | C35 | H351 | 119.6° | 120.0° |
| C35 | C36 | H361 | 120.8° | 120.1° |
| C28 | C29 | C30 | 118.1° | 120.1° |
| C29 | C28 | H281 | 119.7° | 120.1° |
| C28 | C29 | H291 | 121.0° | 119.9° |
| N03 | C04 | C08 | 112.2° | 109.5° |
| N03 | C04 | H041 | 105.4° | 109.5° |
| C04 | N03 | H031 | 118.9° | 120.0° |
| C04 | C08 | C09 | 112.6° | 109.5° |
| C08 | C04 | H041 | 104.6° | 109.5° |
| C04 | C08 | H082 | 108.7° | 109.5° |
| C04 | C08 | H081 | 108.7° | 109.5° |
| C13 | C40 | C39 | 120.2° | 120.2° |
| C13 | C40 | H401 | 119.9° | 119.9° |
| C35 | C30 | C29 | 121.4° | 120.3° |
| C35 | C30 | S31 | 119.7° | 119.9° |
| C30 | C35 | H351 | 119.6° | 119.9° |
| C29 | C30 | S31 | 119.0° | 119.8° |
| C30 | C29 | H291 | 121.0° | 120.0° |
| C38 | C39 | C40 | 119.8° | 120.5° |
| C39 | C38 | H381 | 119.9° | 119.9° |
| C38 | C39 | H391 | 120.1° | 119.7° |
| C30 | S31 | N32 | 106.4° | 107.2° |
| C30 | S31 | O34 | 106.4° | 106.4° |
| C30 | S31 | O33 | 105.0° | 106.4° |
| N32 | S31 | O34 | 112.1° | 106.4° |
| N32 | S31 | O33 | 111.7° | 106.4° |
| S31 | N32 | H1 | 109.5° | 120.0° |
| S31 | N32 | H322 | 109.5° | 120.0° |
| C08 | C09 | C10 | 111.9° | 109.5° |
| C09 | C08 | H082 | 108.7° | 109.4° |
| C09 | C08 | H081 | 108.7° | 109.5° |
| C08 | C09 | H091 | 108.9° | 109.5° |
| C08 | C09 | H092 | 108.8° | 109.5° |
| C40 | C39 | H391 | 120.1° | 119.8° |
| C39 | C40 | H401 | 119.9° | 119.8° |
| O34 | S31 | O33 | 114.4° | 123.1° |
| C09 | C10 | O12 | 119.3° | 120.0° |
| C09 | C10 | O11 | 120.6° | 120.0° |
| C10 | C09 | H091 | 108.8° | 109.4° |
| C10 | C09 | H092 | 108.9° | 109.4° |
| O12 | C10 | O11 | 120.1° | 120.0° |
| C10 | O11 | H2 | 109.5° | 117.0° |
| H082 | C08 | H081 | 109.5° | 109.5° |
| H091 | C09 | H092 | 109.5° | 109.5° |
| H201 | C20 | H202 | 109.5° | 109.5° |
| H212 | C21 | H211 | 109.5° | 109.4° |
| H231 | C23 | H232 | 109.5° | 109.5° |
| H241 | C24 | H242 | 109.5° | 109.5° |
| H061 | N06 | H062 | 120.0° | 119.9° |
| H1 | N32 | H322 | 109.5° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O16 | C15 | O17 | C14 | 179.7° | 180.0° |
| O16 | C15 | C14 | C18 | 96.1° | 90.0° |
| O16 | C15 | C14 | C13 | 84.0° | 90.0° |
| O16 | C15 | O17 | H3 | 0.0° | 0.0° |
| O17 | C15 | C14 | C18 | 83.6° | 90.0° |
| O17 | C15 | C14 | C13 | 96.3° | 90.0° |
| N25 | C24 | C23 | H241 | 120.2° | 120.0° |
| N25 | C24 | C23 | H242 | 120.2° | 120.0° |
| C24 | N25 | C26 | H251 | 180.0° | 180.0° |
| N25 | C24 | C23 | O22 | 92.7° | 65.0° |
| C24 | N25 | C26 | O37 | 2.3° | 0.1° |
| C24 | N25 | C26 | C27 | 179.5° | 180.0° |
| N25 | C24 | C23 | H231 | 147.6° | 175.0° |
| N25 | C24 | C23 | H232 | 26.9° | 55.0° |
| N25 | C24 | H241 | H242 | 119.4° | 120.0° |
| C23 | C24 | N25 | C26 | 61.0° | 180.0° |
| C24 | C23 | O22 | H231 | 119.7° | 120.0° |
| C24 | C23 | O22 | H232 | 119.7° | 120.0° |
| C24 | C23 | O22 | C21 | 178.3° | 180.0° |
| C24 | C23 | H231 | H232 | 121.1° | 120.0° |
| C23 | C24 | H241 | H242 | 119.5° | 120.0° |
| C23 | C24 | N25 | H251 | 119.0° | 0.0° |
| C15 | C14 | C18 | N19 | 0.1° | 0.1° |
| C15 | C14 | C18 | C13 | 179.9° | 180.0° |
| C15 | C14 | C18 | C38 | 179.8° | 180.0° |
| C15 | C14 | C13 | C02 | 0.5° | 0.0° |
| C15 | C14 | C13 | C40 | 179.8° | 179.8° |
| C14 | C15 | O17 | H3 | 179.8° | 180.0° |
| N06 | C05 | O07 | C04 | 179.6° | 180.0° |
| N06 | C05 | C04 | N03 | 150.7° | 180.0° |
| N06 | C05 | C04 | C08 | 77.9° | 60.0° |
| N06 | C05 | C04 | H041 | 35.8° | 60.0° |
| C05 | N06 | H061 | H062 | 180.0° | 180.0° |
| O07 | C05 | C04 | N03 | 28.9° | 0.0° |
| O07 | C05 | C04 | C08 | 102.5° | 120.0° |
| O07 | C05 | C04 | H041 | 143.8° | 120.0° |
| O07 | C05 | N06 | H061 | 0.0° | 180.0° |
| O07 | C05 | N06 | H062 | 180.0° | 0.0° |
| N25 | C26 | O37 | C27 | 178.0° | 179.9° |
| N25 | C26 | C27 | C36 | 176.6° | 180.0° |
| N25 | C26 | C27 | C28 | 1.9° | 0.3° |
| C26 | N25 | C24 | H241 | 178.9° | 60.0° |
| C26 | N25 | C24 | H242 | 59.2° | 60.0° |
| C23 | O22 | C21 | C20 | 73.7° | 180.0° |
| C23 | O22 | C21 | H212 | 166.3° | 60.0° |
| C23 | O22 | C21 | H211 | 46.4° | 60.0° |
| O22 | C23 | H231 | H232 | 121.0° | 120.1° |
| O22 | C23 | C24 | H241 | 27.5° | 175.0° |
| O22 | C23 | C24 | H242 | 147.1° | 55.0° |
| O37 | C26 | C27 | C36 | 5.3° | 0.0° |
| O37 | C26 | C27 | C28 | 176.3° | 179.7° |
| O37 | C26 | N25 | H251 | 177.6° | 180.0° |
| C05 | C04 | N03 | C02 | 80.9° | 85.1° |
| C05 | C04 | N03 | C08 | 132.4° | 120.0° |
| C05 | C04 | N03 | H041 | 114.4° | 120.1° |
| C05 | C04 | C08 | H041 | 113.8° | 120.0° |
| C05 | C04 | C08 | C09 | 150.8° | 175.0° |
| C05 | C04 | C08 | H082 | 30.3° | 55.1° |
| C05 | C04 | C08 | H081 | 88.7° | 65.0° |
| C05 | C04 | N03 | H031 | 99.1° | 95.0° |
| C04 | C05 | N06 | H061 | 179.6° | 0.0° |
| C04 | C05 | N06 | H062 | 0.4° | 180.0° |
| C20 | N19 | C18 | H191 | 121.6° | 179.9° |
| N19 | C20 | C21 | H201 | 120.4° | 120.0° |
| N19 | C20 | C21 | H202 | 120.4° | 120.0° |
| C20 | N19 | C18 | C14 | 139.8° | 180.0° |
| N19 | C20 | C21 | O22 | 74.8° | 65.0° |
| C20 | N19 | C18 | C38 | 40.3° | 0.1° |
| N19 | C20 | H201 | H202 | 118.8° | 120.1° |
| N19 | C20 | C21 | H212 | 45.2° | 175.0° |
| N19 | C20 | C21 | H211 | 165.1° | 55.0° |
| C18 | N19 | C20 | C21 | 51.2° | 180.0° |
| N19 | C18 | C14 | C38 | 179.9° | 179.9° |
| N19 | C18 | C14 | C13 | 179.9° | 180.0° |
| N19 | C18 | C38 | C39 | 179.8° | 179.9° |
| C18 | N19 | C20 | H201 | 69.2° | 60.1° |
| C18 | N19 | C20 | H202 | 171.6° | 60.0° |
| N19 | C18 | C38 | H381 | 0.2° | 0.1° |
| C26 | C27 | C36 | C28 | 178.5° | 179.7° |
| C26 | C27 | C36 | C35 | 179.6° | 179.7° |
| C26 | C27 | C28 | C29 | 179.7° | 180.0° |
| C26 | C27 | C28 | H281 | 0.3° | 0.0° |
| C26 | C27 | C36 | H361 | 0.4° | 0.0° |
| C27 | C26 | N25 | H251 | 0.5° | 0.0° |
| C20 | C21 | O22 | H212 | 120.1° | 120.0° |
| C20 | C21 | O22 | H211 | 120.1° | 120.1° |
| C21 | C20 | H201 | H202 | 118.8° | 120.0° |
| C20 | C21 | H212 | H211 | 119.9° | 120.0° |
| C21 | C20 | N19 | H191 | 70.4° | 0.1° |
| O01 | C02 | C13 | C14 | 35.6° | 0.0° |
| O01 | C02 | C13 | N03 | 179.9° | 179.8° |
| O01 | C02 | N03 | C04 | 0.1° | 0.2° |
| O01 | C02 | C13 | C40 | 145.1° | 179.8° |
| O01 | C02 | N03 | H031 | 179.8° | 179.7° |
| C18 | C14 | C13 | C02 | 179.5° | 180.0° |
| C18 | C14 | C13 | C40 | 0.3° | 0.2° |
| C14 | C18 | C38 | C39 | 0.3° | 0.0° |
| C14 | C18 | C38 | H381 | 179.7° | 180.0° |
| C14 | C18 | N19 | H191 | 18.2° | 0.1° |
| C13 | C14 | C18 | C38 | 0.2° | 0.0° |
| C14 | C13 | C02 | C40 | 179.2° | 179.8° |
| C14 | C13 | C02 | N03 | 144.5° | 179.8° |
| C14 | C13 | C40 | C39 | 0.5° | 0.5° |
| C14 | C13 | C40 | H401 | 179.6° | 179.7° |
| O22 | C21 | C20 | H201 | 164.8° | 175.0° |
| O22 | C21 | C20 | H202 | 45.6° | 55.0° |
| O22 | C21 | H212 | H211 | 119.8° | 120.0° |
| C21 | O22 | C23 | H231 | 62.1° | 60.0° |
| C21 | O22 | C23 | H232 | 58.6° | 60.0° |
| C18 | C38 | C39 | H381 | 180.0° | 180.0° |
| C18 | C38 | C39 | C40 | 0.5° | 0.3° |
| C18 | C38 | C39 | H391 | 179.6° | 180.0° |
| C38 | C18 | N19 | H191 | 161.9° | 180.0° |
| C27 | C36 | C35 | H361 | 180.0° | 179.7° |
| C36 | C27 | C28 | C29 | 1.8° | 0.3° |
| C27 | C36 | C35 | C30 | 0.6° | 0.6° |
| C36 | C27 | C28 | H281 | 178.1° | 179.7° |
| C27 | C36 | C35 | H351 | 179.4° | 179.7° |
| C28 | C27 | C36 | C35 | 1.1° | 0.6° |
| C27 | C28 | C29 | H281 | 180.0° | 180.0° |
| C27 | C28 | C29 | C30 | 1.9° | 0.0° |
| C27 | C28 | C29 | H291 | 178.1° | 180.0° |
| C28 | C27 | C36 | H361 | 178.9° | 179.7° |
| C13 | C02 | N03 | C04 | 180.0° | 180.0° |
| C02 | C13 | C40 | C39 | 179.7° | 179.7° |
| C02 | C13 | C40 | H401 | 0.3° | 0.1° |
| C13 | C02 | N03 | H031 | 0.0° | 0.0° |
| C02 | N03 | C04 | H031 | 180.0° | 180.0° |
| C02 | N03 | C04 | C08 | 146.7° | 155.0° |
| N03 | C02 | C13 | C40 | 34.8° | 0.0° |
| C02 | N03 | C04 | H041 | 33.5° | 35.0° |
| C36 | C35 | C30 | H351 | 180.0° | 179.7° |
| C36 | C35 | C30 | C29 | 0.7° | 0.3° |
| C36 | C35 | C30 | S31 | 179.6° | 179.7° |
| C28 | C29 | C30 | C35 | 1.3° | 0.0° |
| C28 | C29 | C30 | H291 | 180.0° | 180.0° |
| C28 | C29 | C30 | S31 | 179.0° | 180.0° |
| N03 | C04 | C08 | H041 | 113.7° | 120.0° |
| N03 | C04 | C08 | C09 | 76.7° | 65.0° |
| N03 | C04 | C08 | H082 | 162.8° | 175.0° |
| N03 | C04 | C08 | H081 | 43.8° | 55.0° |
| C04 | C08 | C09 | H082 | 120.5° | 120.0° |
| C04 | C08 | C09 | H081 | 120.4° | 120.0° |
| C04 | C08 | C09 | C10 | 82.1° | 180.0° |
| C04 | C08 | H082 | H081 | 118.5° | 120.0° |
| C04 | C08 | C09 | H091 | 38.3° | 60.0° |
| C04 | C08 | C09 | H092 | 157.6° | 60.0° |
| C08 | C04 | N03 | H031 | 33.3° | 25.0° |
| C13 | C40 | C39 | C38 | 0.5° | 0.5° |
| C13 | C40 | C39 | H401 | 180.0° | 179.8° |
| C13 | C40 | C39 | H391 | 179.5° | 179.8° |
| C35 | C30 | C29 | S31 | 179.7° | 180.0° |
| C35 | C30 | S31 | N32 | 131.4° | 90.0° |
| C35 | C30 | S31 | O34 | 11.7° | 156.4° |
| C35 | C30 | S31 | O33 | 110.0° | 23.5° |
| C35 | C30 | C29 | H291 | 178.6° | 180.0° |
| C30 | C35 | C36 | H361 | 179.5° | 179.7° |
| C29 | C30 | S31 | N32 | 48.9° | 90.0° |
| C29 | C30 | S31 | O34 | 168.6° | 23.6° |
| C29 | C30 | S31 | O33 | 69.7° | 156.5° |
| C30 | C29 | C28 | H281 | 178.1° | 180.0° |
| C29 | C30 | C35 | H351 | 179.3° | 180.0° |
| C38 | C39 | C40 | H391 | 180.0° | 179.7° |
| C38 | C39 | C40 | H401 | 179.5° | 179.7° |
| C30 | S31 | N32 | O34 | 116.0° | 113.6° |
| C30 | S31 | N32 | O33 | 114.1° | 113.5° |
| C30 | S31 | O34 | O33 | 115.5° | 123.0° |
| S31 | C30 | C29 | H291 | 1.0° | 0.0° |
| S31 | C30 | C35 | H351 | 0.4° | 0.0° |
| C30 | S31 | N32 | H1 | 180.0° | 149.9° |
| C30 | S31 | N32 | H322 | 60.0° | 30.1° |
| N32 | S31 | O34 | O33 | 128.6° | 122.9° |
| S31 | N32 | H1 | H322 | 120.0° | 180.0° |
| C08 | C09 | C10 | H091 | 120.4° | 120.0° |
| C08 | C09 | C10 | H092 | 120.4° | 120.0° |
| C08 | C09 | C10 | O12 | 106.2° | 0.0° |
| C08 | C09 | C10 | O11 | 73.4° | 180.0° |
| C09 | C08 | C04 | H041 | 37.0° | 55.0° |
| C09 | C08 | H082 | H081 | 118.6° | 120.0° |
| C08 | C09 | H091 | H092 | 118.9° | 120.1° |
| C40 | C39 | C38 | H381 | 179.5° | 179.7° |
| O34 | S31 | N32 | H1 | 64.1° | 96.5° |
| O34 | S31 | N32 | H322 | 56.0° | 83.5° |
| O33 | S31 | N32 | H1 | 65.9° | 36.4° |
| O33 | S31 | N32 | H322 | 174.0° | 143.6° |
| C09 | C10 | O12 | O11 | 179.6° | 180.0° |
| C10 | C09 | C08 | H082 | 157.5° | 60.0° |
| C10 | C09 | C08 | H081 | 38.4° | 60.0° |
| C10 | C09 | H091 | H092 | 118.9° | 119.9° |
| C09 | C10 | O11 | H2 | 179.5° | 180.0° |
| O12 | C10 | C09 | H091 | 14.2° | 120.0° |
| O12 | C10 | C09 | H092 | 133.5° | 120.0° |
| O12 | C10 | O11 | H2 | 0.0° | 0.0° |
| O11 | C10 | C09 | H091 | 166.2° | 60.0° |
| O11 | C10 | C09 | H092 | 46.9° | 60.0° |
| H041 | C04 | C08 | H082 | 83.5° | 65.0° |
| H041 | C04 | C08 | H081 | 157.5° | 175.0° |
| H041 | C04 | N03 | H031 | 146.5° | 145.0° |
| H082 | C08 | C09 | H091 | 82.2° | 180.0° |
| H082 | C08 | C09 | H092 | 37.1° | 60.0° |
| H081 | C08 | C09 | H091 | 158.7° | 60.0° |
| H081 | C08 | C09 | H092 | 82.0° | 180.0° |
| H201 | C20 | C21 | H212 | 75.1° | 55.0° |
| H201 | C20 | C21 | H211 | 44.7° | 64.9° |
| H201 | C20 | N19 | H191 | 169.2° | 120.1° |
| H202 | C20 | C21 | H212 | 165.6° | 65.0° |
| H202 | C20 | C21 | H211 | 74.5° | 175.0° |
| H202 | C20 | N19 | H191 | 50.0° | 119.9° |
| H231 | C23 | C24 | H241 | 92.2° | 55.0° |
| H231 | C23 | C24 | H242 | 27.5° | 65.0° |
| H232 | C23 | C24 | H241 | 147.1° | 65.0° |
| H232 | C23 | C24 | H242 | 93.3° | 175.0° |
| H241 | C24 | N25 | H251 | 1.2° | 120.0° |
| H242 | C24 | N25 | H251 | 120.8° | 120.0° |
| H281 | C28 | C29 | H291 | 2.0° | 0.0° |
| H351 | C35 | C36 | H361 | 0.5° | 0.0° |
| H381 | C38 | C39 | H391 | 0.5° | 0.0° |
| H391 | C39 | C40 | H401 | 0.5° | 0.0° |
