BOB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O11 | C1 | doub | 1.21Å | 1.24Å | |
| CA1 | C1 | sing | 1.51Å | 1.50Å | |
| C1 | O12 | sing | 1.34Å | 1.26Å | |
| N1 | CA1 | sing | 1.47Å | 1.45Å | |
| N1 | HN1 | sing | 1.01Å | 1.00Å | |
| N1 | HN1A | sing | 1.01Å | 1.00Å | |
| CA2 | C2 | sing | 1.51Å | 1.51Å | |
| C2 | N3 | sing | 1.35Å | 1.33Å | |
| C2 | O2 | doub | 1.21Å | 1.34Å | |
| CD1 | N2 | sing | 1.35Å | 1.33Å | |
| N2 | CA2 | sing | 1.47Å | 1.47Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| O32 | C3 | doub | 1.21Å | 1.25Å | |
| C3 | CA3 | sing | 1.51Å | 1.50Å | |
| C3 | O31 | sing | 1.34Å | 1.26Å | |
| N3 | CA3 | sing | 1.47Å | 1.46Å | |
| N3 | HN3 | sing | 0.97Å | 1.00Å | |
| O12 | HO12 | sing | 0.97Å | 0.95Å | |
| O31 | HO31 | sing | 0.97Å | 0.95Å | |
| C42 | C40 | sing | 1.53Å | 1.55Å | |
| C40 | SG2 | sing | 1.81Å | 1.79Å | |
| C40 | C54 | sing | 1.53Å | 1.55Å | |
| C40 | H40 | sing | 1.09Å | 1.10Å | |
| C42 | O60 | sing | 1.43Å | 1.43Å | |
| C42 | C43 | sing | 1.53Å | 1.54Å | |
| C42 | H42 | sing | 1.09Å | 1.10Å | |
| C43 | C44 | sing | 1.53Å | 1.53Å | |
| C43 | H43 | sing | 1.09Å | 1.10Å | |
| C43 | H43A | sing | 1.09Å | 1.10Å | |
| C44 | C45 | sing | 1.53Å | 1.53Å | |
| C44 | H44 | sing | 1.09Å | 1.10Å | |
| C44 | H44A | sing | 1.09Å | 1.10Å | |
| C45 | C46 | sing | 1.53Å | 1.53Å | |
| C45 | H45 | sing | 1.09Å | 1.10Å | |
| C45 | H45A | sing | 1.09Å | 1.10Å | |
| C47 | C46 | sing | 1.53Å | 1.51Å | |
| C46 | H46 | sing | 1.09Å | 1.10Å | |
| C46 | H46A | sing | 1.09Å | 1.10Å | |
| C47 | H47 | sing | 1.09Å | 1.10Å | |
| C47 | H47A | sing | 1.09Å | 1.10Å | |
| C47 | H47B | sing | 1.09Å | 1.10Å | |
| C55 | C54 | sing | 1.53Å | 1.54Å | |
| C54 | H54 | sing | 1.09Å | 1.10Å | |
| C54 | H54A | sing | 1.09Å | 1.10Å | |
| C55 | O56 | sing | 1.43Å | 1.45Å | |
| C55 | H55 | sing | 1.09Å | 1.10Å | |
| C55 | H55A | sing | 1.09Å | 1.10Å | |
| O56 | HO56 | sing | 0.97Å | 0.95Å | |
| O60 | HO60 | sing | 0.97Å | 0.95Å | |
| CA1 | CB1 | sing | 1.53Å | 1.53Å | |
| CA1 | HA1 | sing | 1.09Å | 1.10Å | |
| CA2 | CB2 | sing | 1.53Å | 1.55Å | |
| CA2 | HA2 | sing | 1.09Å | 1.10Å | |
| CA3 | HA3 | sing | 1.09Å | 1.10Å | |
| CA3 | HA3A | sing | 1.09Å | 1.10Å | |
| CB1 | CG1 | sing | 1.53Å | 1.53Å | |
| CB1 | HB1 | sing | 1.09Å | 1.10Å | |
| CB1 | HB1A | sing | 1.09Å | 1.10Å | |
| SG2 | CB2 | sing | 1.81Å | 1.78Å | |
| CB2 | HB2 | sing | 1.09Å | 1.10Å | |
| CB2 | HB2A | sing | 1.09Å | 1.10Å | |
| OE1 | CD1 | doub | 1.21Å | 1.34Å | |
| CG1 | CD1 | sing | 1.51Å | 1.51Å | |
| CG1 | HG1 | sing | 1.09Å | 1.10Å | |
| CG1 | HG1A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O11 | C1 | CA1 | 117.3° | 120.0° |
| O11 | C1 | O12 | 122.5° | 120.0° |
| CA1 | C1 | O12 | 120.2° | 120.0° |
| C1 | CA1 | N1 | 110.8° | 109.5° |
| C1 | CA1 | CB1 | 109.5° | 109.5° |
| C1 | CA1 | HA1 | 108.3° | 109.5° |
| C1 | O12 | HO12 | 109.5° | 117.0° |
| CA1 | N1 | HN1 | 109.5° | 111.0° |
| CA1 | N1 | HN1A | 109.5° | 111.0° |
| N1 | CA1 | CB1 | 108.9° | 109.5° |
| N1 | CA1 | HA1 | 109.0° | 109.5° |
| HN1 | N1 | HN1A | 109.4° | 111.0° |
| CA2 | C2 | N3 | 122.5° | 120.0° |
| CA2 | C2 | O2 | 120.6° | 120.0° |
| C2 | CA2 | N2 | 106.5° | 109.5° |
| C2 | CA2 | CB2 | 112.1° | 109.5° |
| C2 | CA2 | HA2 | 109.8° | 109.5° |
| N3 | C2 | O2 | 116.9° | 120.0° |
| C2 | N3 | CA3 | 121.9° | 120.0° |
| C2 | N3 | HN3 | 119.1° | 120.0° |
| CD1 | N2 | CA2 | 124.0° | 120.0° |
| CD1 | N2 | HN2 | 118.0° | 120.0° |
| N2 | CD1 | OE1 | 120.7° | 120.0° |
| N2 | CD1 | CG1 | 118.0° | 120.0° |
| CA2 | N2 | HN2 | 118.0° | 120.0° |
| N2 | CA2 | CB2 | 109.8° | 109.4° |
| N2 | CA2 | HA2 | 112.1° | 109.5° |
| O32 | C3 | CA3 | 118.7° | 120.0° |
| O32 | C3 | O31 | 124.0° | 120.0° |
| CA3 | C3 | O31 | 117.3° | 120.0° |
| C3 | CA3 | N3 | 114.4° | 109.5° |
| C3 | CA3 | HA3 | 107.9° | 109.5° |
| C3 | CA3 | HA3A | 107.9° | 109.5° |
| C3 | O31 | HO31 | 109.5° | 117.0° |
| CA3 | N3 | HN3 | 119.0° | 120.0° |
| N3 | CA3 | HA3 | 107.9° | 109.5° |
| N3 | CA3 | HA3A | 107.8° | 109.5° |
| C42 | C40 | SG2 | 109.7° | 109.5° |
| C42 | C40 | C54 | 118.2° | 109.5° |
| C42 | C40 | H40 | 103.3° | 109.4° |
| C40 | C42 | O60 | 109.7° | 109.5° |
| C40 | C42 | C43 | 118.2° | 109.5° |
| C40 | C42 | H42 | 103.0° | 109.5° |
| SG2 | C40 | C54 | 110.3° | 109.5° |
| SG2 | C40 | H40 | 112.4° | 109.4° |
| C40 | SG2 | CB2 | 120.5° | 103.0° |
| C54 | C40 | H40 | 102.7° | 109.5° |
| C40 | C54 | C55 | 114.0° | 109.5° |
| C40 | C54 | H54 | 108.0° | 109.5° |
| C40 | C54 | H54A | 108.0° | 109.5° |
| O60 | C42 | C43 | 109.1° | 109.5° |
| O60 | C42 | H42 | 113.2° | 109.4° |
| C42 | O60 | HO60 | 109.5° | 114.0° |
| C43 | C42 | H42 | 103.6° | 109.5° |
| C42 | C43 | C44 | 115.6° | 109.5° |
| C42 | C43 | H43 | 107.5° | 109.5° |
| C42 | C43 | H43A | 107.5° | 109.4° |
| C44 | C43 | H43 | 107.4° | 109.5° |
| C44 | C43 | H43A | 107.4° | 109.4° |
| C43 | C44 | C45 | 113.7° | 109.5° |
| C43 | C44 | H44 | 108.1° | 109.5° |
| C43 | C44 | H44A | 108.1° | 109.5° |
| H43 | C43 | H43A | 111.4° | 109.5° |
| C45 | C44 | H44 | 108.1° | 109.5° |
| C45 | C44 | H44A | 108.1° | 109.5° |
| C44 | C45 | C46 | 113.7° | 109.5° |
| C44 | C45 | H45 | 108.1° | 109.5° |
| C44 | C45 | H45A | 108.1° | 109.4° |
| H44 | C44 | H44A | 110.8° | 109.4° |
| C46 | C45 | H45 | 108.1° | 109.5° |
| C46 | C45 | H45A | 108.1° | 109.5° |
| C45 | C46 | C47 | 111.2° | 109.5° |
| C45 | C46 | H46 | 108.9° | 109.5° |
| C45 | C46 | H46A | 108.9° | 109.4° |
| H45 | C45 | H45A | 110.8° | 109.5° |
| C47 | C46 | H46 | 108.9° | 109.5° |
| C47 | C46 | H46A | 108.9° | 109.5° |
| C46 | C47 | H47 | 109.5° | 109.4° |
| C46 | C47 | H47A | 109.5° | 109.5° |
| C46 | C47 | H47B | 109.4° | 109.5° |
| H46 | C46 | H46A | 110.0° | 109.4° |
| H47 | C47 | H47A | 109.4° | 109.5° |
| H47 | C47 | H47B | 109.5° | 109.5° |
| H47A | C47 | H47B | 109.5° | 109.6° |
| C55 | C54 | H54 | 108.0° | 109.4° |
| C55 | C54 | H54A | 108.0° | 109.5° |
| C54 | C55 | O56 | 113.3° | 109.4° |
| C54 | C55 | H55 | 108.2° | 109.5° |
| C54 | C55 | H55A | 108.2° | 109.5° |
| H54 | C54 | H54A | 110.8° | 109.5° |
| O56 | C55 | H55 | 108.2° | 109.5° |
| O56 | C55 | H55A | 108.2° | 109.5° |
| C55 | O56 | HO56 | 109.5° | 114.0° |
| H55 | C55 | H55A | 110.7° | 109.5° |
| CB1 | CA1 | HA1 | 110.3° | 109.5° |
| CA1 | CB1 | CG1 | 114.2° | 109.5° |
| CA1 | CB1 | HB1 | 107.9° | 109.5° |
| CA1 | CB1 | HB1A | 107.9° | 109.4° |
| CB2 | CA2 | HA2 | 106.6° | 109.5° |
| CA2 | CB2 | SG2 | 115.4° | 109.5° |
| CA2 | CB2 | HB2 | 107.6° | 109.5° |
| CA2 | CB2 | HB2A | 107.5° | 109.4° |
| HA3 | CA3 | HA3A | 111.0° | 109.5° |
| CG1 | CB1 | HB1 | 107.9° | 109.5° |
| CG1 | CB1 | HB1A | 107.9° | 109.5° |
| CB1 | CG1 | CD1 | 110.3° | 109.5° |
| CB1 | CG1 | HG1 | 109.2° | 109.5° |
| CB1 | CG1 | HG1A | 109.2° | 109.4° |
| HB1 | CB1 | HB1A | 110.9° | 109.5° |
| SG2 | CB2 | HB2 | 107.5° | 109.5° |
| SG2 | CB2 | HB2A | 107.6° | 109.5° |
| HB2 | CB2 | HB2A | 111.3° | 109.4° |
| OE1 | CD1 | CG1 | 121.3° | 120.0° |
| CD1 | CG1 | HG1 | 109.2° | 109.5° |
| CD1 | CG1 | HG1A | 109.2° | 109.5° |
| HG1 | CG1 | HG1A | 109.8° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O11 | C1 | CA1 | O12 | 178.8° | 179.8° |
| O11 | C1 | CA1 | N1 | 31.4° | 19.8° |
| O11 | C1 | O12 | HO12 | 0.0° | 0.1° |
| O11 | C1 | CA1 | CB1 | 88.8° | 100.2° |
| O11 | C1 | CA1 | HA1 | 150.9° | 139.8° |
| C1 | CA1 | N1 | CB1 | 120.6° | 120.0° |
| C1 | CA1 | N1 | HA1 | 119.1° | 120.0° |
| C1 | CA1 | N1 | HN1 | 180.0° | 63.9° |
| C1 | CA1 | N1 | HN1A | 60.0° | 60.0° |
| CA1 | C1 | O12 | HO12 | 178.8° | 179.7° |
| C1 | CA1 | CB1 | HA1 | 119.1° | 120.0° |
| C1 | CA1 | CB1 | CG1 | 52.3° | 175.0° |
| C1 | CA1 | CB1 | HB1 | 172.3° | 65.0° |
| C1 | CA1 | CB1 | HB1A | 67.7° | 55.0° |
| O12 | C1 | CA1 | N1 | 149.8° | 160.0° |
| O12 | C1 | CA1 | CB1 | 90.0° | 80.0° |
| O12 | C1 | CA1 | HA1 | 30.3° | 40.0° |
| CA1 | N1 | HN1 | HN1A | 120.0° | 123.9° |
| N1 | CA1 | CB1 | HA1 | 119.5° | 120.0° |
| N1 | CA1 | CB1 | CG1 | 173.6° | 65.0° |
| N1 | CA1 | CB1 | HB1 | 66.3° | 55.0° |
| N1 | CA1 | CB1 | HB1A | 53.6° | 175.0° |
| HN1 | N1 | CA1 | CB1 | 59.4° | 176.0° |
| HN1 | N1 | CA1 | HA1 | 60.9° | 56.0° |
| HN1A | N1 | CA1 | CB1 | 179.4° | 60.0° |
| HN1A | N1 | CA1 | HA1 | 59.1° | 180.0° |
| CA2 | C2 | N3 | O2 | 178.6° | 180.0° |
| C2 | CA2 | N2 | CD1 | 124.4° | 85.1° |
| C2 | CA2 | N2 | CB2 | 121.6° | 120.0° |
| C2 | CA2 | N2 | HA2 | 120.1° | 120.1° |
| C2 | CA2 | N2 | HN2 | 55.5° | 95.0° |
| CA2 | C2 | N3 | CA3 | 179.7° | 180.0° |
| CA2 | C2 | N3 | HN3 | 0.3° | 0.0° |
| C2 | CA2 | CB2 | HA2 | 120.2° | 120.1° |
| C2 | CA2 | CB2 | SG2 | 158.4° | 180.0° |
| C2 | CA2 | CB2 | HB2 | 38.4° | 59.9° |
| C2 | CA2 | CB2 | HB2A | 81.6° | 60.0° |
| N3 | C2 | CA2 | N2 | 137.5° | 180.0° |
| C2 | N3 | CA3 | C3 | 145.1° | 180.0° |
| C2 | N3 | CA3 | HN3 | 180.0° | 180.0° |
| N3 | C2 | CA2 | CB2 | 102.4° | 60.0° |
| N3 | C2 | CA2 | HA2 | 15.9° | 60.0° |
| C2 | N3 | CA3 | HA3 | 25.0° | 60.0° |
| C2 | N3 | CA3 | HA3A | 95.0° | 60.0° |
| O2 | C2 | CA2 | N2 | 41.1° | 0.1° |
| O2 | C2 | N3 | CA3 | 1.1° | 0.0° |
| O2 | C2 | N3 | HN3 | 179.0° | 180.0° |
| O2 | C2 | CA2 | CB2 | 79.0° | 120.0° |
| O2 | C2 | CA2 | HA2 | 162.7° | 120.0° |
| CD1 | N2 | CA2 | HN2 | 180.0° | 180.0° |
| CD1 | N2 | CA2 | CB2 | 113.9° | 155.0° |
| CD1 | N2 | CA2 | HA2 | 4.3° | 35.0° |
| N2 | CD1 | CG1 | CB1 | 176.6° | 180.0° |
| N2 | CD1 | OE1 | CG1 | 179.7° | 180.0° |
| N2 | CD1 | CG1 | HG1 | 63.4° | 60.0° |
| N2 | CD1 | CG1 | HG1A | 56.6° | 60.0° |
| N2 | CA2 | CB2 | HA2 | 121.6° | 120.0° |
| N2 | CA2 | CB2 | SG2 | 40.1° | 60.0° |
| N2 | CA2 | CB2 | HB2 | 79.9° | 60.0° |
| N2 | CA2 | CB2 | HB2A | 160.2° | 180.0° |
| CA2 | N2 | CD1 | OE1 | 2.3° | 0.0° |
| CA2 | N2 | CD1 | CG1 | 178.0° | 180.0° |
| HN2 | N2 | CA2 | CB2 | 66.1° | 25.0° |
| HN2 | N2 | CA2 | HA2 | 175.7° | 145.0° |
| HN2 | N2 | CD1 | OE1 | 177.7° | 180.0° |
| HN2 | N2 | CD1 | CG1 | 2.0° | 0.0° |
| O32 | C3 | CA3 | O31 | 178.8° | 179.9° |
| O32 | C3 | CA3 | N3 | 28.0° | 0.0° |
| O32 | C3 | O31 | HO31 | 0.0° | 0.0° |
| O32 | C3 | CA3 | HA3 | 92.0° | 120.0° |
| O32 | C3 | CA3 | HA3A | 148.0° | 120.0° |
| C3 | CA3 | N3 | HA3 | 120.0° | 120.0° |
| C3 | CA3 | N3 | HA3A | 120.0° | 120.0° |
| C3 | CA3 | N3 | HN3 | 35.0° | 0.0° |
| CA3 | C3 | O31 | HO31 | 178.7° | 180.0° |
| C3 | CA3 | HA3 | HA3A | 118.0° | 120.0° |
| O31 | C3 | CA3 | N3 | 153.2° | 180.0° |
| O31 | C3 | CA3 | HA3 | 86.8° | 60.0° |
| O31 | C3 | CA3 | HA3A | 33.2° | 60.0° |
| N3 | CA3 | HA3 | HA3A | 117.9° | 120.0° |
| HN3 | N3 | CA3 | HA3 | 155.0° | 120.0° |
| HN3 | N3 | CA3 | HA3A | 85.0° | 120.0° |
| C42 | C40 | SG2 | C54 | 131.8° | 120.0° |
| C42 | C40 | SG2 | H40 | 114.3° | 119.9° |
| C42 | C40 | C54 | H40 | 112.8° | 120.0° |
| C40 | C42 | O60 | C43 | 130.9° | 120.0° |
| C40 | C42 | O60 | H42 | 114.3° | 120.0° |
| C40 | C42 | C43 | H42 | 113.0° | 120.0° |
| C40 | C42 | C43 | C44 | 76.8° | 175.0° |
| C40 | C42 | C43 | H43 | 163.2° | 55.0° |
| C40 | C42 | C43 | H43A | 43.1° | 65.0° |
| C42 | C40 | C54 | C55 | 92.2° | 174.6° |
| C42 | C40 | C54 | H54 | 147.8° | 65.5° |
| C42 | C40 | C54 | H54A | 27.8° | 54.5° |
| C40 | C42 | O60 | HO60 | 180.0° | 60.1° |
| C42 | C40 | SG2 | CB2 | 58.9° | 67.3° |
| SG2 | C40 | C54 | H40 | 120.0° | 120.0° |
| SG2 | C40 | C42 | O60 | 6.3° | 60.0° |
| SG2 | C40 | C42 | C43 | 132.2° | 180.0° |
| SG2 | C40 | C42 | H42 | 114.5° | 59.9° |
| SG2 | C40 | C54 | C55 | 140.5° | 65.4° |
| SG2 | C40 | C54 | H54 | 20.5° | 54.5° |
| SG2 | C40 | C54 | H54A | 99.4° | 174.6° |
| C40 | SG2 | CB2 | CA2 | 122.7° | 175.2° |
| C40 | SG2 | CB2 | HB2 | 117.3° | 55.2° |
| C40 | SG2 | CB2 | HB2A | 2.7° | 64.8° |
| C54 | C40 | C42 | O60 | 121.2° | 60.1° |
| C54 | C40 | C42 | C43 | 4.7° | 60.0° |
| C54 | C40 | C42 | H42 | 118.0° | 180.0° |
| C40 | C54 | C55 | H54 | 120.0° | 120.0° |
| C40 | C54 | C55 | H54A | 120.0° | 120.0° |
| C40 | C54 | H54 | H54A | 118.1° | 120.0° |
| C40 | C54 | C55 | O56 | 160.4° | 174.9° |
| C40 | C54 | C55 | H55 | 79.6° | 54.9° |
| C40 | C54 | C55 | H55A | 40.4° | 65.1° |
| C54 | C40 | SG2 | CB2 | 72.9° | 172.7° |
| H40 | C40 | C42 | O60 | 126.3° | 179.9° |
| H40 | C40 | C42 | C43 | 107.8° | 60.0° |
| H40 | C40 | C42 | H42 | 5.6° | 60.0° |
| H40 | C40 | C54 | C55 | 20.6° | 54.6° |
| H40 | C40 | C54 | H54 | 99.5° | 174.5° |
| H40 | C40 | C54 | H54A | 140.6° | 65.4° |
| H40 | C40 | SG2 | CB2 | 173.2° | 52.6° |
| O60 | C42 | C43 | H42 | 120.8° | 120.0° |
| O60 | C42 | C43 | C44 | 49.3° | 65.0° |
| O60 | C42 | C43 | H43 | 70.7° | 175.0° |
| O60 | C42 | C43 | H43A | 169.3° | 55.0° |
| C42 | C43 | C44 | H43 | 120.0° | 120.0° |
| C42 | C43 | C44 | H43A | 120.0° | 119.9° |
| C42 | C43 | H43 | H43A | 117.5° | 120.0° |
| C42 | C43 | C44 | C45 | 127.5° | NaN° |
| C42 | C43 | C44 | H44 | 112.4° | 59.9° |
| C42 | C43 | C44 | H44A | 7.5° | 60.0° |
| C43 | C42 | O60 | HO60 | 49.1° | 60.0° |
| H42 | C42 | C43 | C44 | 170.1° | 55.0° |
| H42 | C42 | C43 | H43 | 50.2° | 65.0° |
| H42 | C42 | C43 | H43A | 69.9° | 174.9° |
| H42 | C42 | O60 | HO60 | 65.7° | 180.0° |
| C44 | C43 | H43 | H43A | 117.4° | 120.0° |
| C43 | C44 | C45 | H44 | 120.0° | 120.0° |
| C43 | C44 | C45 | H44A | 120.0° | 120.0° |
| C43 | C44 | H44 | H44A | 118.3° | 120.0° |
| C43 | C44 | C45 | C46 | 101.3° | NaN° |
| C43 | C44 | C45 | H45 | 138.8° | 60.0° |
| C43 | C44 | C45 | H45A | 18.7° | 60.0° |
| H43 | C43 | C44 | C45 | 7.5° | 60.0° |
| H43 | C43 | C44 | H44 | 127.6° | 180.0° |
| H43 | C43 | C44 | H44A | 112.5° | 60.0° |
| H43A | C43 | C44 | C45 | 112.5° | 60.1° |
| H43A | C43 | C44 | H44 | 7.6° | 60.0° |
| H43A | C43 | C44 | H44A | 127.5° | 179.9° |
| C45 | C44 | H44 | H44A | 118.3° | 120.0° |
| C44 | C45 | C46 | H45 | 120.0° | 120.0° |
| C44 | C45 | C46 | H45A | 120.0° | 119.9° |
| C44 | C45 | H45 | H45A | 118.3° | 119.9° |
| C44 | C45 | C46 | C47 | 125.5° | 180.0° |
| C44 | C45 | C46 | H46 | 5.5° | 59.9° |
| C44 | C45 | C46 | H46A | 114.4° | 60.0° |
| H44 | C44 | C45 | C46 | 18.8° | 60.0° |
| H44 | C44 | C45 | H45 | 101.2° | 180.0° |
| H44 | C44 | C45 | H45A | 138.7° | 60.0° |
| H44A | C44 | C45 | C46 | 138.7° | 60.0° |
| H44A | C44 | C45 | H45 | 18.7° | 60.0° |
| H44A | C44 | C45 | H45A | 101.3° | 180.0° |
| C46 | C45 | H45 | H45A | 118.3° | 120.0° |
| C45 | C46 | C47 | H46 | 120.0° | 120.0° |
| C45 | C46 | C47 | H46A | 120.0° | 120.0° |
| C45 | C46 | H46 | H46A | 119.3° | 119.9° |
| C45 | C46 | C47 | H47 | 180.0° | 60.0° |
| C45 | C46 | C47 | H47A | 60.0° | 60.0° |
| C45 | C46 | C47 | H47B | 60.0° | 179.9° |
| H45 | C45 | C46 | C47 | 114.5° | 60.0° |
| H45 | C45 | C46 | H46 | 125.5° | 180.0° |
| H45 | C45 | C46 | H46A | 5.5° | 60.0° |
| H45A | C45 | C46 | C47 | 5.5° | 60.0° |
| H45A | C45 | C46 | H46 | 114.5° | 60.0° |
| H45A | C45 | C46 | H46A | 125.5° | 179.9° |
| C47 | C46 | H46 | H46A | 119.3° | 120.0° |
| C46 | C47 | H47 | H47A | 120.0° | 119.9° |
| C46 | C47 | H47 | H47B | 120.0° | 120.0° |
| C46 | C47 | H47A | H47B | 120.0° | 120.0° |
| H46 | C46 | C47 | H47 | 60.0° | 180.0° |
| H46 | C46 | C47 | H47A | 180.0° | 60.1° |
| H46 | C46 | C47 | H47B | 60.0° | 60.0° |
| H46A | C46 | C47 | H47 | 60.0° | 60.0° |
| H46A | C46 | C47 | H47A | 60.0° | 180.0° |
| H46A | C46 | C47 | H47B | 180.0° | 60.0° |
| H47 | C47 | H47A | H47B | 120.0° | 120.1° |
| C55 | C54 | H54 | H54A | 118.2° | 120.0° |
| C54 | C55 | O56 | H55 | 120.0° | 120.0° |
| C54 | C55 | O56 | H55A | 120.0° | 120.0° |
| C54 | C55 | H55 | H55A | 118.5° | 120.0° |
| C54 | C55 | O56 | HO56 | 180.0° | 180.0° |
| H54 | C54 | C55 | O56 | 40.3° | 65.1° |
| H54 | C54 | C55 | H55 | 160.3° | 174.9° |
| H54 | C54 | C55 | H55A | 79.7° | 54.9° |
| H54A | C54 | C55 | O56 | 79.6° | 54.9° |
| H54A | C54 | C55 | H55 | 40.4° | 65.1° |
| H54A | C54 | C55 | H55A | 160.4° | 174.9° |
| O56 | C55 | H55 | H55A | 118.4° | 120.0° |
| H55 | C55 | O56 | HO56 | 60.0° | 60.0° |
| H55A | C55 | O56 | HO56 | 60.0° | 60.0° |
| CA1 | CB1 | CG1 | HB1 | 120.0° | 120.0° |
| CA1 | CB1 | CG1 | HB1A | 120.0° | 119.9° |
| CA1 | CB1 | HB1 | HB1A | 118.0° | 119.9° |
| CA1 | CB1 | CG1 | CD1 | 174.4° | 180.0° |
| CA1 | CB1 | CG1 | HG1 | 65.6° | 59.9° |
| CA1 | CB1 | CG1 | HG1A | 54.4° | 60.0° |
| HA1 | CA1 | CB1 | CG1 | 66.8° | 55.0° |
| HA1 | CA1 | CB1 | HB1 | 53.2° | 175.0° |
| HA1 | CA1 | CB1 | HB1A | 173.1° | 65.0° |
| CA2 | CB2 | SG2 | HB2 | 120.0° | 120.0° |
| CA2 | CB2 | SG2 | HB2A | 120.0° | 120.0° |
| CA2 | CB2 | HB2 | HB2A | 117.5° | 119.9° |
| HA2 | CA2 | CB2 | SG2 | 81.5° | 59.9° |
| HA2 | CA2 | CB2 | HB2 | 158.5° | 180.0° |
| HA2 | CA2 | CB2 | HB2A | 38.6° | 60.1° |
| CG1 | CB1 | HB1 | HB1A | 118.1° | 120.0° |
| CB1 | CG1 | CD1 | OE1 | 3.7° | 0.0° |
| CB1 | CG1 | CD1 | HG1 | 120.0° | 120.1° |
| CB1 | CG1 | CD1 | HG1A | 120.0° | 120.0° |
| CB1 | CG1 | HG1 | HG1A | 119.7° | 119.9° |
| HB1 | CB1 | CG1 | CD1 | 54.4° | 60.0° |
| HB1 | CB1 | CG1 | HG1 | 174.4° | 180.0° |
| HB1 | CB1 | CG1 | HG1A | 65.6° | 60.0° |
| HB1A | CB1 | CG1 | CD1 | 65.6° | 60.0° |
| HB1A | CB1 | CG1 | HG1 | 54.4° | 60.0° |
| HB1A | CB1 | CG1 | HG1A | 174.4° | 179.9° |
| SG2 | CB2 | HB2 | HB2A | 117.6° | 120.0° |
| OE1 | CD1 | CG1 | HG1 | 116.3° | 120.1° |
| OE1 | CD1 | CG1 | HG1A | 123.7° | 120.0° |
| CD1 | CG1 | HG1 | HG1A | 119.7° | 120.0° |
