FGX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C04 | S05 | sing | 1.81Å | 1.85Å | |
| C04 | C02 | sing | 1.51Å | 1.56Å | |
| C01 | C02 | sing | 1.51Å | 1.54Å | |
| S05 | C06 | sing | 1.76Å | 1.84Å | |
| C02 | O03 | doub | 1.21Å | 1.20Å | |
| O26 | P24 | sing | 1.61Å | 1.65Å | |
| O25 | P24 | sing | 1.61Å | 1.65Å | |
| P24 | O27 | sing | 1.61Å | 1.65Å | |
| P24 | O23 | sing | 1.61Å | 1.66Å | |
| C06 | C45 | doub | 1.39Å | 1.39Å | Aromatic |
| C06 | C07 | sing | 1.39Å | 1.40Å | Aromatic |
| C45 | C44 | sing | 1.38Å | 1.40Å | Aromatic |
| C07 | C08 | doub | 1.38Å | 1.40Å | Aromatic |
| C44 | C09 | doub | 1.38Å | 1.41Å | Aromatic |
| O23 | C22 | sing | 1.43Å | 1.39Å | |
| C08 | C09 | sing | 1.38Å | 1.38Å | Aromatic |
| C09 | C10 | sing | 1.51Å | 1.54Å | |
| O11 | C10 | sing | 1.43Å | 1.41Å | |
| C22 | C21 | sing | 1.53Å | 1.53Å | |
| C10 | C12 | sing | 1.51Å | 1.56Å | |
| O28 | C21 | sing | 1.46Å | 1.49Å | |
| O28 | C29 | sing | 1.46Å | 1.29Å | |
| C21 | C20 | sing | 1.49Å | 1.57Å | |
| C12 | C43 | doub | 1.38Å | 1.42Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.41Å | Aromatic |
| C43 | C42 | sing | 1.38Å | 1.44Å | Aromatic |
| C20 | O19 | sing | 1.39Å | 1.48Å | |
| C20 | C40 | sing | 1.59Å | 1.19Å | |
| C29 | N30 | sing | 1.47Å | 1.50Å | |
| C29 | C40 | sing | 1.51Å | 1.66Å | |
| N38 | C37 | doub | 1.32Å | 1.34Å | Aromatic |
| N38 | C39 | sing | 1.33Å | 1.37Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C37 | N36 | sing | 1.32Å | 1.35Å | Aromatic |
| O19 | B18 | sing | 1.39Å | 1.45Å | |
| C39 | N30 | sing | 1.37Å | 1.38Å | Aromatic |
| C39 | C33 | doub | 1.40Å | 1.38Å | Aromatic |
| N30 | C31 | sing | 1.36Å | 1.34Å | Aromatic |
| N36 | C34 | doub | 1.33Å | 1.33Å | Aromatic |
| C42 | B18 | sing | 1.56Å | 1.62Å | |
| C42 | C15 | doub | 1.38Å | 1.41Å | Aromatic |
| C40 | O41 | sing | 1.41Å | 1.51Å | |
| C33 | C34 | sing | 1.41Å | 1.44Å | Aromatic |
| C33 | N32 | sing | 1.35Å | 1.38Å | Aromatic |
| C31 | N32 | doub | 1.30Å | 1.33Å | Aromatic |
| C34 | N35 | sing | 1.38Å | 1.46Å | |
| C14 | C15 | sing | 1.39Å | 1.41Å | Aromatic |
| B18 | O41 | sing | 1.39Å | 1.23Å | |
| B18 | C17 | sing | 1.60Å | 1.53Å | |
| C15 | C16 | sing | 1.51Å | 1.55Å | |
| C17 | C16 | sing | 1.55Å | 1.49Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C08 | H081 | sing | 1.08Å | 1.08Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | 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 | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.08Å | 1.08Å | |
| C37 | H371 | sing | 1.08Å | 1.08Å | |
| C40 | H401 | sing | 1.09Å | 1.10Å | |
| C43 | H431 | sing | 1.08Å | 1.08Å | |
| C44 | H441 | sing | 1.08Å | 1.08Å | |
| C45 | H451 | sing | 1.08Å | 1.08Å | |
| N35 | H352 | sing | 0.97Å | 1.00Å | |
| N35 | H351 | sing | 0.97Å | 1.00Å | |
| O11 | H111 | sing | 0.97Å | 0.95Å | |
| O25 | H251 | sing | 0.97Å | 0.95Å | |
| O26 | H261 | sing | 0.97Å | 0.95Å | |
| O27 | H271 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| S05 | C04 | C02 | 117.4° | 109.5° |
| C04 | S05 | C06 | 109.5° | 103.0° |
| S05 | C04 | H042 | 107.4° | 109.5° |
| S05 | C04 | H041 | 107.4° | 109.4° |
| C04 | C02 | C01 | 117.4° | 120.0° |
| C04 | C02 | O03 | 123.4° | 120.0° |
| C02 | C04 | H042 | 107.5° | 109.5° |
| C02 | C04 | H041 | 107.5° | 109.5° |
| C01 | C02 | O03 | 119.1° | 120.0° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C02 | C01 | H012 | 109.4° | 109.5° |
| C02 | C01 | H013 | 109.4° | 109.5° |
| S05 | C06 | C45 | 121.6° | 120.1° |
| S05 | C06 | C07 | 118.7° | 120.1° |
| O26 | P24 | O25 | 112.9° | 109.5° |
| O26 | P24 | O27 | 110.5° | 109.5° |
| O26 | P24 | O23 | 107.0° | 109.5° |
| P24 | O26 | H261 | 109.5° | 114.0° |
| O25 | P24 | O27 | 109.5° | 109.5° |
| O25 | P24 | O23 | 107.5° | 109.5° |
| P24 | O25 | H251 | 109.5° | 114.0° |
| O27 | P24 | O23 | 109.4° | 109.5° |
| P24 | O27 | H271 | 109.5° | 114.0° |
| P24 | O23 | C22 | 116.8° | 123.0° |
| C45 | C06 | C07 | 119.7° | 119.9° |
| C06 | C45 | C44 | 120.0° | 119.9° |
| C06 | C45 | H451 | 120.0° | 120.0° |
| C06 | C07 | C08 | 120.3° | 119.9° |
| C06 | C07 | H071 | 119.8° | 120.0° |
| C45 | C44 | C09 | 119.7° | 120.1° |
| C45 | C44 | H441 | 120.1° | 119.9° |
| C44 | C45 | H451 | 120.0° | 120.1° |
| C07 | C08 | C09 | 120.2° | 120.1° |
| C08 | C07 | H071 | 119.8° | 120.1° |
| C07 | C08 | H081 | 119.9° | 120.0° |
| C44 | C09 | C08 | 120.1° | 120.2° |
| C44 | C09 | C10 | 121.4° | 119.9° |
| C09 | C44 | H441 | 120.2° | 120.0° |
| O23 | C22 | C21 | 106.7° | 109.5° |
| O23 | C22 | H222 | 110.2° | 109.5° |
| O23 | C22 | H221 | 110.2° | 109.5° |
| C08 | C09 | C10 | 118.6° | 119.9° |
| C09 | C08 | H081 | 119.9° | 120.0° |
| C09 | C10 | O11 | 112.9° | 109.4° |
| C09 | C10 | C12 | 110.5° | 109.4° |
| C09 | C10 | H101 | 107.5° | 109.5° |
| O11 | C10 | C12 | 109.4° | 109.5° |
| O11 | C10 | H101 | 109.1° | 109.5° |
| C10 | O11 | H111 | 109.5° | 114.0° |
| C22 | C21 | O28 | 116.1° | 110.4° |
| C22 | C21 | C20 | 115.7° | 110.3° |
| C22 | C21 | H211 | 110.7° | 110.2° |
| C21 | C22 | H222 | 110.2° | 109.5° |
| C21 | C22 | H221 | 110.2° | 109.5° |
| C10 | C12 | C43 | 126.9° | 120.1° |
| C10 | C12 | C13 | 112.1° | 120.2° |
| C12 | C10 | H101 | 107.3° | 109.5° |
| C21 | O28 | C29 | 101.2° | 108.9° |
| O28 | C21 | C20 | 91.5° | 105.3° |
| O28 | C21 | H211 | 111.4° | 110.3° |
| O28 | C29 | N30 | 104.7° | 110.7° |
| O28 | C29 | C40 | 101.3° | 103.0° |
| O28 | C29 | H291 | 113.3° | 110.9° |
| C21 | C20 | O19 | 131.2° | 131.4° |
| C21 | C20 | C40 | 94.8° | 100.0° |
| C21 | C20 | H201 | 105.9° | 107.9° |
| C20 | C21 | H211 | 110.1° | 110.2° |
| C43 | C12 | C13 | 120.9° | 119.7° |
| C12 | C43 | C42 | 120.2° | 120.3° |
| C12 | C43 | H431 | 119.9° | 119.8° |
| C12 | C13 | C14 | 119.9° | 120.0° |
| C12 | C13 | H131 | 120.0° | 120.0° |
| C43 | C42 | B18 | 137.1° | 130.9° |
| C43 | C42 | C15 | 116.0° | 120.1° |
| C42 | C43 | H431 | 119.9° | 119.8° |
| O19 | C20 | C40 | 105.5° | 99.3° |
| C20 | O19 | B18 | 97.3° | 104.2° |
| O19 | C20 | H201 | 107.0° | 108.3° |
| C20 | C40 | C29 | 101.7° | 97.3° |
| C20 | C40 | O41 | 101.3° | 96.4° |
| C40 | C20 | H201 | 111.3° | 106.8° |
| C20 | C40 | H401 | 114.5° | 111.9° |
| N30 | C29 | C40 | 119.4° | 110.7° |
| C29 | N30 | C39 | 127.0° | 126.3° |
| C29 | N30 | C31 | 125.2° | 126.3° |
| N30 | C29 | H291 | 109.9° | 110.6° |
| C29 | C40 | O41 | 123.2° | 125.3° |
| C40 | C29 | H291 | 108.0° | 110.7° |
| C29 | C40 | H401 | 107.2° | 111.3° |
| C37 | N38 | C39 | 120.7° | 120.6° |
| N38 | C37 | N36 | 122.1° | 122.5° |
| N38 | C37 | H371 | 119.0° | 118.8° |
| N38 | C39 | N30 | 134.5° | 134.9° |
| N38 | C39 | C33 | 118.7° | 119.1° |
| C13 | C14 | C15 | 119.1° | 120.5° |
| C14 | C13 | H131 | 120.0° | 120.0° |
| C13 | C14 | H141 | 120.4° | 119.8° |
| C37 | N36 | C34 | 120.4° | 121.2° |
| N36 | C37 | H371 | 118.9° | 118.8° |
| O19 | B18 | C42 | 85.2° | 110.6° |
| O19 | B18 | O41 | 109.5° | 111.3° |
| O19 | B18 | C17 | 145.9° | 110.1° |
| N30 | C39 | C33 | 106.8° | 106.0° |
| C39 | N30 | C31 | 107.8° | 107.5° |
| C39 | C33 | C34 | 119.0° | 118.2° |
| C39 | C33 | N32 | 107.3° | 107.1° |
| N30 | C31 | N32 | 110.0° | 110.0° |
| N30 | C31 | H311 | 125.0° | 125.1° |
| N36 | C34 | C33 | 119.1° | 118.4° |
| N36 | C34 | N35 | 121.0° | 120.8° |
| B18 | C42 | C15 | 105.9° | 109.1° |
| C42 | B18 | O41 | 125.9° | 110.4° |
| C42 | B18 | C17 | 105.2° | 104.4° |
| C42 | C15 | C14 | 123.5° | 119.3° |
| C42 | C15 | C16 | 110.2° | 111.3° |
| C40 | O41 | B18 | 105.2° | 102.2° |
| O41 | C40 | H401 | 108.9° | 111.7° |
| C34 | C33 | N32 | 133.7° | 134.7° |
| C33 | C34 | N35 | 119.9° | 120.8° |
| C33 | N32 | C31 | 108.1° | 109.4° |
| N32 | C31 | H311 | 125.0° | 125.0° |
| C34 | N35 | H352 | 109.5° | 120.0° |
| C34 | N35 | H351 | 109.5° | 119.9° |
| C14 | C15 | C16 | 126.1° | 129.4° |
| C15 | C14 | H141 | 120.4° | 119.7° |
| O41 | B18 | C17 | 90.8° | 110.0° |
| B18 | C17 | C16 | 105.5° | 101.7° |
| B18 | C17 | H172 | 110.5° | 111.0° |
| B18 | C17 | H171 | 110.4° | 111.0° |
| C15 | C16 | C17 | 105.3° | 106.5° |
| C15 | C16 | H161 | 110.5° | 110.0° |
| C15 | C16 | H162 | 110.5° | 110.0° |
| C17 | C16 | H161 | 110.5° | 110.0° |
| C17 | C16 | H162 | 110.5° | 110.1° |
| C16 | C17 | H172 | 110.5° | 111.0° |
| C16 | C17 | H171 | 110.5° | 111.0° |
| H011 | C01 | H012 | 109.4° | 109.5° |
| H011 | C01 | H013 | 109.5° | 109.5° |
| H012 | C01 | H013 | 109.5° | 109.4° |
| H042 | C04 | H041 | 109.5° | 109.5° |
| H161 | C16 | H162 | 109.5° | 110.1° |
| H172 | C17 | H171 | 109.4° | 110.9° |
| H222 | C22 | H221 | 109.4° | 109.4° |
| H352 | N35 | H351 | 109.5° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S05 | C04 | C02 | H042 | 121.1° | 120.0° |
| S05 | C04 | C02 | H041 | 121.1° | 120.0° |
| S05 | C04 | C02 | C01 | 165.8° | 180.0° |
| S05 | C04 | C02 | O03 | 15.7° | 0.0° |
| C04 | S05 | C06 | C45 | 160.2° | 180.0° |
| C04 | S05 | C06 | C07 | 20.8° | 0.3° |
| S05 | C04 | H042 | H041 | 116.4° | 120.0° |
| C04 | C02 | C01 | O03 | 178.6° | 179.9° |
| C02 | C04 | S05 | C06 | 84.7° | 180.0° |
| C04 | C02 | C01 | H011 | 178.6° | 180.0° |
| C04 | C02 | C01 | H012 | 61.5° | 59.9° |
| C04 | C02 | C01 | H013 | 58.5° | 60.0° |
| C02 | C04 | H042 | H041 | 116.4° | 120.1° |
| C02 | C01 | H011 | H012 | 120.0° | 120.0° |
| C02 | C01 | H011 | H013 | 120.0° | 120.0° |
| C02 | C01 | H012 | H013 | 120.0° | 120.0° |
| C01 | C02 | C04 | H042 | 44.7° | 60.1° |
| C01 | C02 | C04 | H041 | 73.1° | 60.0° |
| S05 | C06 | C45 | C07 | 179.0° | 179.7° |
| S05 | C06 | C45 | C44 | 179.5° | 179.7° |
| S05 | C06 | C07 | C08 | 179.5° | 179.7° |
| C06 | S05 | C04 | H042 | 36.4° | 60.0° |
| C06 | S05 | C04 | H041 | 154.2° | 60.0° |
| S05 | C06 | C07 | H071 | 0.5° | 0.3° |
| S05 | C06 | C45 | H451 | 0.5° | 0.4° |
| O03 | C02 | C01 | H011 | 0.0° | 0.0° |
| O03 | C02 | C01 | H012 | 120.0° | 120.0° |
| O03 | C02 | C01 | H013 | 120.0° | 120.0° |
| O03 | C02 | C04 | H042 | 136.9° | 120.0° |
| O03 | C02 | C04 | H041 | 105.4° | 120.0° |
| O26 | P24 | O25 | O27 | 123.5° | 120.0° |
| O26 | P24 | O25 | O23 | 117.7° | 120.0° |
| O26 | P24 | O27 | O23 | 117.5° | 120.0° |
| O26 | P24 | O23 | C22 | 179.1° | 180.0° |
| O26 | P24 | O25 | H251 | 180.0° | 60.0° |
| O26 | P24 | O27 | H271 | 180.0° | 60.0° |
| O25 | P24 | O27 | O23 | 117.5° | 120.0° |
| O25 | P24 | O23 | C22 | 59.4° | 60.0° |
| O25 | P24 | O26 | H261 | 180.0° | 60.0° |
| O25 | P24 | O27 | H271 | 55.0° | 180.0° |
| O27 | P24 | O23 | C22 | 59.4° | 60.0° |
| O27 | P24 | O25 | H251 | 56.4° | 180.0° |
| O27 | P24 | O26 | H261 | 57.0° | 60.0° |
| P24 | O23 | C22 | C21 | 153.7° | 180.0° |
| P24 | O23 | C22 | H222 | 34.1° | 60.0° |
| P24 | O23 | C22 | H221 | 86.7° | 60.0° |
| O23 | P24 | O25 | H251 | 62.3° | 60.0° |
| O23 | P24 | O26 | H261 | 62.0° | 180.0° |
| O23 | P24 | O27 | H271 | 62.5° | 60.0° |
| C06 | C45 | C44 | H451 | 180.0° | 179.9° |
| C45 | C06 | C07 | C08 | 0.5° | 0.0° |
| C06 | C45 | C44 | C09 | 0.1° | 0.1° |
| C45 | C06 | C07 | H071 | 179.5° | 180.0° |
| C06 | C45 | C44 | H441 | 179.9° | 180.0° |
| C07 | C06 | C45 | C44 | 0.5° | 0.1° |
| C06 | C07 | C08 | H071 | 180.0° | 180.0° |
| C06 | C07 | C08 | C09 | 0.1° | 0.0° |
| C06 | C07 | C08 | H081 | 179.9° | 180.0° |
| C07 | C06 | C45 | H451 | 179.5° | 180.0° |
| C45 | C44 | C09 | H441 | 180.0° | 180.0° |
| C45 | C44 | C09 | C08 | 0.7° | 0.1° |
| C45 | C44 | C09 | C10 | 179.6° | 180.0° |
| C07 | C08 | C09 | C44 | 0.6° | 0.0° |
| C07 | C08 | C09 | H081 | 180.0° | 180.0° |
| C07 | C08 | C09 | C10 | 179.7° | 180.0° |
| C44 | C09 | C08 | C10 | 179.0° | 180.0° |
| C44 | C09 | C10 | O11 | 111.9° | 35.0° |
| C44 | C09 | C10 | C12 | 125.2° | 85.0° |
| C44 | C09 | C08 | H081 | 179.3° | 180.0° |
| C44 | C09 | C10 | H101 | 8.5° | 155.0° |
| C09 | C44 | C45 | H451 | 179.9° | 180.0° |
| O23 | C22 | C21 | H222 | 119.6° | 120.0° |
| O23 | C22 | C21 | H221 | 119.6° | 120.0° |
| O23 | C22 | C21 | O28 | 20.2° | 69.1° |
| O23 | C22 | C21 | C20 | 125.8° | 175.0° |
| O23 | C22 | C21 | H211 | 108.1° | 53.0° |
| O23 | C22 | H222 | H221 | 121.3° | 120.0° |
| C08 | C09 | C10 | O11 | 69.1° | 145.0° |
| C08 | C09 | C10 | C12 | 53.8° | 95.0° |
| C09 | C08 | C07 | H071 | 179.9° | 180.0° |
| C08 | C09 | C10 | H101 | 170.5° | 25.0° |
| C08 | C09 | C44 | H441 | 179.3° | 180.0° |
| C09 | C10 | O11 | C12 | 123.5° | 120.0° |
| C09 | C10 | O11 | H101 | 119.5° | 120.0° |
| C09 | C10 | C12 | H101 | 116.9° | 120.0° |
| C09 | C10 | C12 | C43 | 94.2° | 100.0° |
| C09 | C10 | C12 | C13 | 87.9° | 80.0° |
| C10 | C09 | C08 | H081 | 0.3° | 0.0° |
| C10 | C09 | C44 | H441 | 0.3° | 0.0° |
| C09 | C10 | O11 | H111 | 180.0° | 60.0° |
| O11 | C10 | C12 | H101 | 118.2° | 120.1° |
| O11 | C10 | C12 | C43 | 30.7° | 140.0° |
| O11 | C10 | C12 | C13 | 147.2° | 39.9° |
| C22 | C21 | O28 | C20 | 119.7° | 119.0° |
| C22 | C21 | O28 | H211 | 128.0° | 122.1° |
| C22 | C21 | O28 | C29 | 174.5° | 125.2° |
| C22 | C21 | C20 | H211 | 126.5° | 121.9° |
| C22 | C21 | C20 | O19 | 55.5° | 95.0° |
| C22 | C21 | C20 | C40 | 171.0° | 153.0° |
| C22 | C21 | C20 | H201 | 75.3° | 41.6° |
| C21 | C22 | H222 | H221 | 121.2° | 120.0° |
| C10 | C12 | C43 | C13 | 177.8° | 179.9° |
| C10 | C12 | C43 | C42 | 178.6° | 180.0° |
| C10 | C12 | C13 | C14 | 178.3° | 179.9° |
| C10 | C12 | C13 | H131 | 1.7° | 0.1° |
| C10 | C12 | C43 | H431 | 1.4° | 0.1° |
| C12 | C10 | O11 | H111 | 56.5° | 59.9° |
| O28 | C21 | C20 | H211 | 113.4° | 119.0° |
| O28 | C21 | C20 | O19 | 175.6° | 146.0° |
| O28 | C21 | C20 | C40 | 68.9° | 33.9° |
| C21 | O28 | C29 | N30 | 97.8° | 144.3° |
| C21 | O28 | C29 | C40 | 27.0° | 26.0° |
| O28 | C21 | C20 | H201 | 44.8° | 77.5° |
| O28 | C21 | C22 | H222 | 139.8° | 50.9° |
| O28 | C21 | C22 | H221 | 99.4° | 170.9° |
| C21 | O28 | C29 | H291 | 142.4° | 92.5° |
| C29 | O28 | C21 | C20 | 54.8° | 6.2° |
| O28 | C29 | C40 | C20 | 19.3° | 44.8° |
| O28 | C29 | N30 | C40 | 112.3° | 113.6° |
| O28 | C29 | N30 | H291 | 122.1° | 123.4° |
| O28 | C29 | C40 | H291 | 119.3° | 118.6° |
| O28 | C29 | N30 | C39 | 91.8° | 161.4° |
| O28 | C29 | N30 | C31 | 88.0° | 18.5° |
| O28 | C29 | C40 | O41 | 131.3° | 148.1° |
| C29 | O28 | C21 | H211 | 57.5° | 112.8° |
| O28 | C29 | C40 | H401 | 101.2° | 72.2° |
| C21 | C20 | O19 | C40 | 110.9° | 112.3° |
| C21 | C20 | O19 | H201 | 130.4° | 136.4° |
| C21 | C20 | C40 | H201 | 109.1° | 112.3° |
| C21 | C20 | C40 | C29 | 51.3° | 48.0° |
| C21 | C20 | O19 | B18 | 151.7° | 147.2° |
| C21 | C20 | C40 | O41 | 179.0° | 175.0° |
| C20 | C21 | C22 | H222 | 114.7° | 65.0° |
| C20 | C21 | C22 | H221 | 6.2° | 55.0° |
| C21 | C20 | C40 | H401 | 63.9° | 68.5° |
| C12 | C43 | C42 | H431 | 180.0° | 179.9° |
| C43 | C12 | C13 | C14 | 0.3° | 0.1° |
| C12 | C43 | C42 | B18 | 173.3° | 179.7° |
| C12 | C43 | C42 | C15 | 6.3° | 0.3° |
| C43 | C12 | C10 | H101 | 148.9° | 19.9° |
| C43 | C12 | C13 | H131 | 179.7° | 179.9° |
| C13 | C12 | C43 | C42 | 3.6° | 0.1° |
| C12 | C13 | C14 | H131 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.0° | 0.1° |
| C13 | C12 | C10 | H101 | 29.0° | 160.0° |
| C12 | C13 | C14 | H141 | 180.0° | 180.0° |
| C13 | C12 | C43 | H431 | 176.4° | 180.0° |
| C43 | C42 | B18 | O19 | 56.3° | 77.5° |
| C43 | C42 | B18 | C15 | 167.8° | 180.0° |
| C43 | C42 | C15 | C14 | 6.3° | 0.3° |
| C43 | C42 | B18 | O41 | 54.4° | 46.1° |
| C43 | C42 | B18 | C17 | 156.7° | 164.2° |
| C43 | C42 | C15 | C16 | 177.2° | 179.5° |
| O19 | C20 | C40 | H201 | 115.7° | 112.5° |
| O19 | C20 | C40 | C29 | 173.5° | 176.7° |
| C20 | O19 | B18 | C42 | 111.1° | 114.6° |
| O19 | C20 | C40 | O41 | 45.8° | 49.8° |
| C20 | O19 | B18 | O41 | 15.4° | 8.5° |
| C20 | O19 | B18 | C17 | 138.7° | 130.6° |
| O19 | C20 | C21 | H211 | 70.9° | 27.0° |
| O19 | C20 | C40 | H401 | 71.2° | 66.8° |
| C20 | C40 | C29 | N30 | 133.5° | 163.2° |
| C20 | C40 | C29 | O41 | 112.0° | 103.3° |
| C20 | C40 | C29 | H401 | 120.5° | 117.0° |
| C40 | C20 | O19 | B18 | 40.8° | 34.9° |
| C20 | C40 | O41 | H401 | 121.0° | 116.7° |
| C20 | C40 | O41 | B18 | 36.1° | 44.0° |
| C40 | C20 | C21 | H211 | 44.5° | 85.1° |
| C20 | C40 | C29 | H291 | 100.0° | 73.7° |
| N30 | C29 | C40 | H291 | 126.5° | 123.0° |
| C29 | N30 | C39 | N38 | 0.2° | 0.0° |
| C29 | N30 | C39 | C31 | 179.9° | 180.0° |
| C29 | N30 | C39 | C33 | 179.8° | 179.8° |
| N30 | C29 | C40 | O41 | 114.5° | 93.5° |
| C29 | N30 | C31 | N32 | 180.0° | 180.0° |
| C29 | N30 | C31 | H311 | 0.0° | 0.2° |
| N30 | C29 | C40 | H401 | 13.0° | 46.2° |
| C40 | C29 | N30 | C39 | 155.9° | 85.0° |
| C40 | C29 | N30 | C31 | 24.3° | 95.0° |
| C29 | C40 | O41 | H401 | 126.8° | 139.6° |
| C29 | C40 | O41 | B18 | 148.3° | 147.7° |
| C29 | C40 | C20 | H201 | 57.8° | 64.2° |
| N38 | C37 | N36 | H371 | 180.0° | 179.2° |
| C37 | N38 | C39 | N30 | 178.8° | 179.2° |
| C37 | N38 | C39 | C33 | 0.8° | 0.6° |
| N38 | C37 | N36 | C34 | 0.7° | 0.7° |
| C39 | N38 | C37 | N36 | 1.0° | 1.0° |
| N38 | C39 | N30 | C33 | 179.6° | 179.8° |
| N38 | C39 | N30 | C31 | 179.9° | 180.0° |
| N38 | C39 | C33 | C34 | 0.2° | 0.1° |
| N38 | C39 | C33 | N32 | 180.0° | 179.8° |
| C39 | N38 | C37 | H371 | 179.0° | 179.8° |
| C13 | C14 | C15 | C42 | 3.2° | 0.1° |
| C13 | C14 | C15 | H141 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 179.2° | 179.6° |
| C37 | N36 | C34 | C33 | 0.0° | 0.0° |
| C37 | N36 | C34 | N35 | 179.2° | 180.0° |
| O19 | B18 | C42 | O41 | 110.7° | 123.6° |
| O19 | B18 | C42 | C17 | 147.0° | 118.3° |
| O19 | B18 | C42 | C15 | 135.9° | 102.5° |
| O19 | B18 | O41 | C40 | 8.6° | 26.0° |
| O19 | B18 | O41 | C17 | 152.1° | 122.2° |
| O19 | B18 | C17 | C16 | 79.7° | 93.9° |
| O19 | B18 | C17 | H172 | 160.9° | 148.0° |
| O19 | B18 | C17 | H171 | 39.7° | 24.2° |
| B18 | O19 | C20 | H201 | 77.8° | 76.3° |
| N30 | C39 | C33 | C34 | 179.5° | 179.9° |
| N30 | C39 | C33 | N32 | 0.3° | 0.3° |
| C39 | N30 | C31 | N32 | 0.1° | 0.0° |
| C39 | N30 | C29 | H291 | 30.3° | 38.1° |
| C39 | N30 | C31 | H311 | 179.8° | 179.8° |
| C33 | C39 | N30 | C31 | 0.3° | 0.2° |
| C39 | C33 | C34 | N36 | 0.2° | 0.3° |
| C39 | C33 | C34 | N32 | 179.8° | 179.7° |
| C39 | C33 | N32 | C31 | 0.3° | 0.3° |
| C39 | C33 | C34 | N35 | 179.5° | 179.7° |
| N30 | C31 | N32 | C33 | 0.1° | 0.2° |
| N30 | C31 | N32 | H311 | 180.0° | 179.8° |
| C31 | N30 | C29 | H291 | 149.9° | 141.9° |
| N36 | C34 | C33 | N35 | 179.3° | 180.0° |
| N36 | C34 | C33 | N32 | 179.6° | 180.0° |
| C34 | N36 | C37 | H371 | 179.3° | 179.9° |
| N36 | C34 | N35 | H352 | 0.0° | 180.0° |
| N36 | C34 | N35 | H351 | 120.0° | 0.0° |
| C42 | B18 | O41 | C40 | 107.1° | 149.1° |
| B18 | C42 | C15 | C14 | 177.1° | 179.7° |
| C42 | B18 | O41 | C17 | 109.4° | 114.6° |
| B18 | C42 | C15 | C16 | 6.4° | 0.5° |
| C42 | B18 | C17 | C16 | 24.6° | 24.8° |
| C42 | B18 | C17 | H172 | 94.8° | 93.3° |
| C42 | B18 | C17 | H171 | 144.0° | 142.9° |
| B18 | C42 | C43 | H431 | 6.7° | 0.2° |
| C42 | C15 | C14 | C16 | 176.0° | 179.7° |
| C15 | C42 | B18 | O41 | 113.4° | 133.9° |
| C15 | C42 | B18 | C17 | 11.1° | 15.8° |
| C42 | C15 | C16 | C17 | 22.1° | 17.4° |
| C42 | C15 | C14 | H141 | 176.8° | 179.9° |
| C42 | C15 | C16 | H161 | 97.2° | 101.8° |
| C42 | C15 | C16 | H162 | 141.4° | 136.7° |
| C15 | C42 | C43 | H431 | 173.7° | 179.8° |
| C40 | O41 | B18 | C17 | 143.5° | 96.3° |
| O41 | C40 | C20 | H201 | 69.9° | 62.7° |
| O41 | C40 | C29 | H291 | 12.0° | 29.5° |
| C34 | C33 | N32 | C31 | 179.6° | 180.0° |
| C33 | C34 | N35 | H352 | 179.2° | 0.0° |
| C33 | C34 | N35 | H351 | 60.8° | 180.0° |
| N32 | C33 | C34 | N35 | 0.4° | 0.0° |
| C33 | N32 | C31 | H311 | 179.9° | 180.0° |
| C34 | N35 | H352 | H351 | 120.0° | 180.0° |
| C14 | C15 | C16 | C17 | 161.5° | 162.8° |
| C15 | C14 | C13 | H131 | 180.0° | 180.0° |
| C14 | C15 | C16 | H161 | 79.2° | 78.0° |
| C14 | C15 | C16 | H162 | 42.1° | 43.5° |
| O41 | B18 | C17 | C16 | 152.2° | 143.2° |
| O41 | B18 | C17 | H172 | 32.8° | 25.1° |
| O41 | B18 | C17 | H171 | 88.4° | 98.7° |
| B18 | O41 | C40 | H401 | 84.9° | 72.7° |
| B18 | C17 | C16 | C15 | 28.3° | 25.5° |
| B18 | C17 | C16 | H172 | 119.4° | 118.1° |
| B18 | C17 | C16 | H171 | 119.4° | 118.1° |
| B18 | C17 | C16 | H161 | 91.0° | 93.8° |
| B18 | C17 | C16 | H162 | 147.6° | 144.7° |
| B18 | C17 | H172 | H171 | 121.8° | 123.9° |
| C15 | C16 | C17 | H161 | 119.3° | 119.2° |
| C15 | C16 | C17 | H162 | 119.3° | 119.3° |
| C16 | C15 | C14 | H141 | 0.8° | 0.4° |
| C15 | C16 | H161 | H162 | 121.9° | 121.4° |
| C15 | C16 | C17 | H172 | 91.1° | 92.6° |
| C15 | C16 | C17 | H171 | 147.7° | 143.6° |
| C17 | C16 | H161 | H162 | 122.0° | 121.5° |
| C16 | C17 | H172 | H171 | 121.8° | 123.8° |
| H011 | C01 | H012 | H013 | 120.0° | 120.0° |
| H071 | C07 | C08 | H081 | 0.1° | 0.0° |
| H101 | C10 | O11 | H111 | 60.5° | 180.0° |
| H131 | C13 | C14 | H141 | 0.0° | 0.0° |
| H161 | C16 | C17 | H172 | 149.6° | 148.1° |
| H161 | C16 | C17 | H171 | 28.4° | 24.4° |
| H162 | C16 | C17 | H172 | 28.2° | 26.6° |
| H162 | C16 | C17 | H171 | 93.0° | 97.1° |
| H201 | C20 | C21 | H211 | 158.2° | 163.6° |
| H201 | C20 | C40 | H401 | 173.0° | 179.3° |
| H211 | C21 | C22 | H222 | 11.5° | 173.0° |
| H211 | C21 | C22 | H221 | 132.4° | 67.0° |
| H291 | C29 | C40 | H401 | 139.5° | 169.3° |
| H441 | C44 | C45 | H451 | 0.1° | 0.1° |
