MQQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N3 | C2 | sing | 1.47Å | 1.50Å | |
| N3 | C4 | sing | 1.47Å | 1.51Å | |
| N3 | C11 | sing | 1.35Å | 1.34Å | |
| O6 | C3 | sing | 1.43Å | 1.42Å | |
| O6 | C5 | sing | 1.43Å | 1.45Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | H21A | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C3 | H31A | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C4 | H42 | sing | 1.09Å | 1.10Å | |
| C5 | H51A | sing | 1.09Å | 1.10Å | |
| C5 | H52 | sing | 1.09Å | 1.10Å | |
| C11 | O1 | doub | 1.22Å | 1.23Å | |
| C11 | N1 | sing | 1.35Å | 1.33Å | |
| N1 | CA | sing | 1.46Å | 1.45Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| CA | CB | sing | 1.53Å | 1.52Å | |
| CA | C | sing | 1.51Å | 1.52Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | CG | sing | 1.53Å | 1.50Å | |
| CB | HB1 | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CG | SD | sing | 1.81Å | 1.82Å | |
| CG | HG1 | sing | 1.09Å | 1.10Å | |
| CG | HG2 | sing | 1.09Å | 1.10Å | |
| SD | CE | sing | 1.76Å | 1.75Å | |
| SD | O2 | doub | 1.42Å | 1.42Å | |
| SD | O3 | doub | 1.42Å | 1.42Å | |
| CE | CD1 | sing | 1.38Å | 1.40Å | Aromatic |
| CE | CD2 | doub | 1.38Å | 1.41Å | Aromatic |
| C | O | doub | 1.21Å | 1.23Å | |
| C | N2 | sing | 1.35Å | 1.33Å | |
| CD1 | CX1 | doub | 1.38Å | 1.38Å | Aromatic |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| CD2 | CX2 | sing | 1.38Å | 1.38Å | Aromatic |
| CD2 | HD2 | sing | 1.08Å | 1.08Å | |
| CX1 | CZ | sing | 1.38Å | 1.40Å | Aromatic |
| CX1 | HX1 | sing | 1.08Å | 1.08Å | |
| CX2 | CZ | doub | 1.38Å | 1.39Å | Aromatic |
| CX2 | HX2 | sing | 1.08Å | 1.08Å | |
| CZ | HZ | sing | 1.08Å | 1.08Å | |
| CM | CT | sing | 1.53Å | 1.52Å | |
| CM | S1 | sing | 1.81Å | 1.81Å | |
| CM | HM1 | sing | 1.09Å | 1.10Å | |
| CM | HM2 | sing | 1.09Å | 1.10Å | |
| N2 | CA1 | sing | 1.46Å | 1.45Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| CA1 | CB3 | sing | 1.53Å | 1.53Å | |
| CA1 | CT | sing | 1.53Å | 1.54Å | |
| CA1 | HA1 | sing | 1.09Å | 1.10Å | |
| CB3 | CB2 | sing | 1.53Å | 1.52Å | |
| CB3 | HB31 | sing | 1.09Å | 1.10Å | |
| CB3 | HB32 | sing | 1.09Å | 1.10Å | |
| CG1 | CDB | doub | 1.38Å | 1.40Å | Aromatic |
| CG1 | CDC | sing | 1.38Å | 1.40Å | Aromatic |
| CG1 | CB2 | sing | 1.51Å | 1.51Å | |
| CDB | CE1 | sing | 1.38Å | 1.39Å | Aromatic |
| CDB | HCD1 | sing | 1.08Å | 1.08Å | |
| CDC | CE2 | doub | 1.38Å | 1.39Å | Aromatic |
| CDC | HCD2 | sing | 1.08Å | 1.08Å | |
| CE1 | CZ1 | doub | 1.38Å | 1.39Å | Aromatic |
| CE1 | HE1 | sing | 1.08Å | 1.08Å | |
| CE2 | CZ1 | sing | 1.38Å | 1.39Å | Aromatic |
| CE2 | HE2 | sing | 1.08Å | 1.08Å | |
| CZ1 | HZ1 | sing | 1.08Å | 1.08Å | |
| CB2 | HB21 | sing | 1.09Å | 1.10Å | |
| CB2 | HB22 | sing | 1.09Å | 1.10Å | |
| CT | HT1 | sing | 1.09Å | 1.10Å | |
| CT | HT2 | sing | 1.09Å | 1.10Å | |
| C1 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C21 | C31 | doub | 1.38Å | 1.40Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C31 | C41 | sing | 1.38Å | 1.41Å | Aromatic |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C41 | C51 | doub | 1.38Å | 1.40Å | Aromatic |
| C41 | S1 | sing | 1.76Å | 1.75Å | |
| C51 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C51 | H51 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| S1 | O11 | doub | 1.42Å | 1.43Å | |
| S1 | O21 | doub | 1.42Å | 1.41Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N3 | C4 | 114.1° | 117.5° |
| C2 | N3 | C11 | 122.4° | 121.3° |
| N3 | C2 | C3 | 114.1° | 108.2° |
| N3 | C2 | H21A | 106.9° | 109.7° |
| N3 | C2 | H22 | 107.9° | 109.8° |
| C4 | N3 | C11 | 123.3° | 121.3° |
| N3 | C4 | C5 | 113.8° | 108.4° |
| N3 | C4 | H41 | 107.0° | 109.9° |
| N3 | C4 | H42 | 108.1° | 109.4° |
| N3 | C11 | O1 | 119.9° | 120.0° |
| N3 | C11 | N1 | 119.7° | 120.0° |
| C3 | O6 | C5 | 110.3° | 107.8° |
| O6 | C3 | C2 | 112.8° | 109.6° |
| O6 | C3 | H31A | 107.6° | 109.5° |
| O6 | C3 | H32 | 108.4° | 109.4° |
| O6 | C5 | C4 | 113.7° | 109.7° |
| O6 | C5 | H51A | 107.1° | 109.5° |
| O6 | C5 | H52 | 108.1° | 109.5° |
| C3 | C2 | H21A | 106.9° | 109.7° |
| C3 | C2 | H22 | 108.0° | 109.7° |
| C2 | C3 | H31A | 107.7° | 109.5° |
| C2 | C3 | H32 | 108.4° | 109.4° |
| H21A | C2 | H22 | 113.2° | 109.8° |
| H31A | C3 | H32 | 112.1° | 109.4° |
| C5 | C4 | H41 | 107.1° | 109.7° |
| C5 | C4 | H42 | 108.0° | 109.7° |
| C4 | C5 | H51A | 107.2° | 109.5° |
| C4 | C5 | H52 | 108.1° | 109.3° |
| H41 | C4 | H42 | 112.9° | 109.7° |
| H51A | C5 | H52 | 112.8° | 109.4° |
| O1 | C11 | N1 | 120.0° | 120.0° |
| C11 | N1 | CA | 120.8° | 120.0° |
| C11 | N1 | HN1 | 119.6° | 120.0° |
| CA | N1 | HN1 | 119.6° | 120.0° |
| N1 | CA | CB | 110.2° | 109.5° |
| N1 | CA | C | 105.1° | 109.4° |
| N1 | CA | HA | 111.6° | 109.4° |
| CB | CA | C | 108.8° | 109.5° |
| CB | CA | HA | 108.1° | 109.5° |
| CA | CB | CG | 114.1° | 109.5° |
| CA | CB | HB1 | 106.9° | 109.5° |
| CA | CB | HB2 | 107.9° | 109.5° |
| C | CA | HA | 113.0° | 109.5° |
| CA | C | O | 120.0° | 120.0° |
| CA | C | N2 | 117.4° | 120.0° |
| CG | CB | HB1 | 106.9° | 109.5° |
| CG | CB | HB2 | 108.0° | 109.4° |
| CB | CG | SD | 110.5° | 109.5° |
| CB | CG | HG1 | 108.9° | 109.5° |
| CB | CG | HG2 | 109.2° | 109.5° |
| HB1 | CB | HB2 | 113.2° | 109.4° |
| SD | CG | HG1 | 108.9° | 109.4° |
| SD | CG | HG2 | 109.1° | 109.4° |
| CG | SD | CE | 102.7° | 103.2° |
| CG | SD | O2 | 109.0° | 111.6° |
| CG | SD | O3 | 108.8° | 111.6° |
| HG1 | CG | HG2 | 110.3° | 109.5° |
| CE | SD | O2 | 108.1° | 102.8° |
| CE | SD | O3 | 106.1° | 102.8° |
| SD | CE | CD1 | 120.8° | 120.0° |
| SD | CE | CD2 | 119.8° | 120.0° |
| O2 | SD | O3 | 120.6° | 122.1° |
| CD1 | CE | CD2 | 119.0° | 120.0° |
| CE | CD1 | CX1 | 120.2° | 120.0° |
| CE | CD1 | HD1 | 119.9° | 120.0° |
| CE | CD2 | CX2 | 120.6° | 120.0° |
| CE | CD2 | HD2 | 119.7° | 120.0° |
| O | C | N2 | 122.5° | 120.0° |
| C | N2 | CA1 | 120.0° | 120.0° |
| C | N2 | HN2 | 120.0° | 120.0° |
| CX1 | CD1 | HD1 | 119.9° | 120.0° |
| CD1 | CX1 | CZ | 120.1° | 120.0° |
| CD1 | CX1 | HX1 | 119.9° | 120.1° |
| CX2 | CD2 | HD2 | 119.7° | 120.0° |
| CD2 | CX2 | CZ | 119.7° | 120.0° |
| CD2 | CX2 | HX2 | 120.2° | 120.1° |
| CZ | CX1 | HX1 | 120.0° | 120.0° |
| CX1 | CZ | CX2 | 120.4° | 120.0° |
| CX1 | CZ | HZ | 119.8° | 120.0° |
| CZ | CX2 | HX2 | 120.2° | 120.0° |
| CX2 | CZ | HZ | 119.8° | 120.0° |
| CT | CM | S1 | 134.7° | 109.5° |
| CT | CM | HM1 | 96.0° | 109.4° |
| CT | CM | HM2 | 101.8° | 109.5° |
| CM | CT | CA1 | 111.4° | 109.5° |
| CM | CT | HT1 | 108.4° | 109.5° |
| CM | CT | HT2 | 108.8° | 109.5° |
| S1 | CM | HM1 | 96.1° | 109.4° |
| S1 | CM | HM2 | 101.8° | 109.5° |
| CM | S1 | C41 | 106.4° | 103.2° |
| CM | S1 | O11 | 107.1° | 111.6° |
| CM | S1 | O21 | 112.6° | 111.6° |
| HM1 | CM | HM2 | 132.1° | 109.5° |
| CA1 | N2 | HN2 | 120.0° | 120.0° |
| N2 | CA1 | CB3 | 110.0° | 109.5° |
| N2 | CA1 | CT | 112.2° | 109.5° |
| N2 | CA1 | HA1 | 107.9° | 109.4° |
| CB3 | CA1 | CT | 111.4° | 109.5° |
| CB3 | CA1 | HA1 | 108.8° | 109.4° |
| CA1 | CB3 | CB2 | 112.8° | 109.5° |
| CA1 | CB3 | HB31 | 107.6° | 109.5° |
| CA1 | CB3 | HB32 | 108.3° | 109.5° |
| CT | CA1 | HA1 | 106.4° | 109.5° |
| CA1 | CT | HT1 | 108.4° | 109.5° |
| CA1 | CT | HT2 | 108.8° | 109.4° |
| CB2 | CB3 | HB31 | 107.6° | 109.5° |
| CB2 | CB3 | HB32 | 108.4° | 109.5° |
| CB3 | CB2 | CG1 | 113.5° | 109.5° |
| CB3 | CB2 | HB21 | 107.3° | 109.5° |
| CB3 | CB2 | HB22 | 108.2° | 109.5° |
| HB31 | CB3 | HB32 | 112.1° | 109.4° |
| CDB | CG1 | CDC | 119.7° | 120.0° |
| CDB | CG1 | CB2 | 120.2° | 120.0° |
| CG1 | CDB | CE1 | 120.0° | 120.0° |
| CG1 | CDB | HCD1 | 120.0° | 120.0° |
| CDC | CG1 | CB2 | 120.2° | 120.0° |
| CG1 | CDC | CE2 | 120.0° | 120.0° |
| CG1 | CDC | HCD2 | 120.0° | 120.0° |
| CG1 | CB2 | HB21 | 107.2° | 109.5° |
| CG1 | CB2 | HB22 | 108.2° | 109.4° |
| CE1 | CDB | HCD1 | 120.0° | 120.0° |
| CDB | CE1 | CZ1 | 120.0° | 120.0° |
| CDB | CE1 | HE1 | 120.0° | 120.0° |
| CE2 | CDC | HCD2 | 120.0° | 120.0° |
| CDC | CE2 | CZ1 | 120.0° | 120.0° |
| CDC | CE2 | HE2 | 120.0° | 120.0° |
| CZ1 | CE1 | HE1 | 120.0° | 120.0° |
| CE1 | CZ1 | CE2 | 120.4° | 120.0° |
| CE1 | CZ1 | HZ1 | 119.8° | 119.9° |
| CZ1 | CE2 | HE2 | 120.0° | 120.0° |
| CE2 | CZ1 | HZ1 | 119.8° | 120.0° |
| HB21 | CB2 | HB22 | 112.6° | 109.5° |
| HT1 | CT | HT2 | 111.0° | 109.4° |
| C21 | C1 | C6 | 120.0° | 120.0° |
| C21 | C1 | H1 | 120.0° | 120.0° |
| C1 | C21 | C31 | 120.2° | 120.0° |
| C1 | C21 | H21 | 119.9° | 120.0° |
| C6 | C1 | H1 | 120.0° | 120.0° |
| C1 | C6 | C51 | 120.1° | 120.0° |
| C1 | C6 | H6 | 119.9° | 120.0° |
| C31 | C21 | H21 | 119.9° | 120.0° |
| C21 | C31 | C41 | 120.4° | 120.0° |
| C21 | C31 | H31 | 119.8° | 120.0° |
| C41 | C31 | H31 | 119.8° | 120.0° |
| C31 | C41 | C51 | 118.5° | 120.0° |
| C31 | C41 | S1 | 121.2° | 120.0° |
| C51 | C41 | S1 | 119.8° | 120.0° |
| C41 | C51 | C6 | 120.8° | 120.0° |
| C41 | C51 | H51 | 119.6° | 120.0° |
| C41 | S1 | O11 | 105.3° | 102.8° |
| C41 | S1 | O21 | 107.4° | 102.8° |
| C6 | C51 | H51 | 119.6° | 120.0° |
| C51 | C6 | H6 | 120.0° | 120.0° |
| O11 | S1 | O21 | 117.3° | 122.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N3 | C4 | C11 | 175.0° | 179.7° |
| N3 | C2 | C3 | O6 | 50.2° | 55.8° |
| N3 | C2 | C3 | H21A | 118.0° | 119.6° |
| N3 | C2 | C3 | H22 | 120.0° | 119.7° |
| N3 | C2 | H21A | H22 | 118.7° | 120.7° |
| N3 | C2 | C3 | H31A | 168.8° | 175.9° |
| N3 | C2 | C3 | H32 | 69.7° | 64.2° |
| C2 | N3 | C4 | C5 | 35.9° | 46.7° |
| C2 | N3 | C4 | H41 | 82.2° | 166.6° |
| C2 | N3 | C4 | H42 | 155.9° | 72.9° |
| C2 | N3 | C11 | O1 | 12.2° | 173.9° |
| C2 | N3 | C11 | N1 | 175.1° | 6.1° |
| N3 | C4 | C5 | O6 | 46.8° | 55.6° |
| C4 | N3 | C2 | C3 | 37.5° | 46.8° |
| C4 | N3 | C2 | H21A | 155.5° | 72.8° |
| C4 | N3 | C2 | H22 | 82.5° | 166.5° |
| N3 | C4 | C5 | H41 | 118.1° | 119.9° |
| N3 | C4 | C5 | H42 | 120.0° | 119.4° |
| N3 | C4 | H41 | H42 | 118.8° | 120.3° |
| N3 | C4 | C5 | H51A | 71.3° | 175.7° |
| N3 | C4 | C5 | H52 | 166.8° | 64.4° |
| C4 | N3 | C11 | O1 | 173.2° | 5.8° |
| C4 | N3 | C11 | N1 | 0.5° | 174.2° |
| C11 | N3 | C2 | C3 | 137.5° | 132.9° |
| C11 | N3 | C2 | H21A | 19.6° | 107.5° |
| C11 | N3 | C2 | H22 | 102.5° | 13.2° |
| C11 | N3 | C4 | C5 | 139.1° | 133.0° |
| C11 | N3 | C4 | H41 | 102.9° | 13.1° |
| C11 | N3 | C4 | H42 | 19.1° | 107.4° |
| N3 | C11 | O1 | N1 | 172.7° | 180.0° |
| N3 | C11 | N1 | CA | 178.5° | 174.8° |
| N3 | C11 | N1 | HN1 | 1.5° | 5.2° |
| O6 | C3 | C2 | H31A | 118.6° | 120.1° |
| O6 | C3 | C2 | H32 | 120.0° | 120.0° |
| O6 | C3 | C2 | H21A | 168.2° | 63.8° |
| O6 | C3 | C2 | H22 | 69.7° | 175.5° |
| O6 | C3 | H31A | H32 | 119.1° | 119.9° |
| C3 | O6 | C5 | C4 | 58.9° | 68.6° |
| C3 | O6 | C5 | H51A | 59.3° | 171.2° |
| C3 | O6 | C5 | H52 | 178.9° | 51.3° |
| C5 | O6 | C3 | C2 | 60.1° | 68.7° |
| C5 | O6 | C3 | H31A | 178.7° | 171.1° |
| C5 | O6 | C3 | H32 | 59.9° | 51.2° |
| O6 | C5 | C4 | H51A | 118.2° | 120.1° |
| O6 | C5 | C4 | H52 | 120.0° | 120.0° |
| O6 | C5 | C4 | H41 | 71.2° | 175.5° |
| O6 | C5 | C4 | H42 | 166.9° | 63.8° |
| O6 | C5 | H51A | H52 | 118.8° | 120.0° |
| C3 | C2 | H21A | H22 | 118.7° | 120.6° |
| C2 | C3 | H31A | H32 | 119.1° | 120.0° |
| H21A | C2 | C3 | H31A | 73.2° | 56.3° |
| H21A | C2 | C3 | H32 | 48.2° | 176.2° |
| H22 | C2 | C3 | H31A | 48.8° | 64.4° |
| H22 | C2 | C3 | H32 | 170.3° | 55.5° |
| C5 | C4 | H41 | H42 | 118.8° | 120.6° |
| C4 | C5 | H51A | H52 | 118.9° | 119.7° |
| H41 | C4 | C5 | H51A | 170.6° | 64.3° |
| H41 | C4 | C5 | H52 | 48.8° | 55.5° |
| H42 | C4 | C5 | H51A | 48.7° | 56.3° |
| H42 | C4 | C5 | H52 | 73.2° | 176.1° |
| O1 | C11 | N1 | CA | 8.8° | 5.3° |
| O1 | C11 | N1 | HN1 | 171.2° | 174.7° |
| C11 | N1 | CA | HN1 | 180.0° | 180.0° |
| C11 | N1 | CA | CB | 175.7° | 60.0° |
| C11 | N1 | CA | C | 58.6° | 60.0° |
| C11 | N1 | CA | HA | 64.2° | 180.0° |
| N1 | CA | CB | C | 114.7° | 120.0° |
| N1 | CA | CB | HA | 122.2° | 120.0° |
| N1 | CA | C | HA | 121.9° | 119.9° |
| N1 | CA | CB | CG | 50.5° | 65.0° |
| N1 | CA | CB | HB1 | 168.5° | 55.0° |
| N1 | CA | CB | HB2 | 69.5° | 175.0° |
| N1 | CA | C | O | 49.9° | 20.1° |
| N1 | CA | C | N2 | 133.9° | 159.8° |
| HN1 | N1 | CA | CB | 4.3° | 120.0° |
| HN1 | N1 | CA | C | 121.4° | 120.0° |
| HN1 | N1 | CA | HA | 115.8° | 0.0° |
| CB | CA | C | HA | 120.1° | 120.1° |
| CA | CB | CG | HB1 | 118.0° | 120.1° |
| CA | CB | CG | HB2 | 120.0° | 120.0° |
| CA | CB | HB1 | HB2 | 118.7° | 120.0° |
| CA | CB | CG | SD | 88.9° | 180.0° |
| CA | CB | CG | HG1 | 151.6° | 60.0° |
| CA | CB | CG | HG2 | 31.1° | 60.1° |
| CB | CA | C | O | 68.2° | 99.9° |
| CB | CA | C | N2 | 108.1° | 80.2° |
| C | CA | CB | CG | 165.3° | 175.0° |
| C | CA | CB | HB1 | 76.8° | 65.0° |
| C | CA | CB | HB2 | 45.3° | 55.0° |
| CA | C | O | N2 | 176.1° | 179.8° |
| CA | C | N2 | CA1 | 176.0° | 179.7° |
| CA | C | N2 | HN2 | 3.9° | 0.1° |
| HA | CA | CB | CG | 71.7° | 54.9° |
| HA | CA | CB | HB1 | 46.3° | 175.0° |
| HA | CA | CB | HB2 | 168.3° | 65.0° |
| HA | CA | C | O | 171.8° | 140.0° |
| HA | CA | C | N2 | 12.0° | 39.8° |
| CG | CB | HB1 | HB2 | 118.7° | 119.9° |
| CB | CG | SD | HG1 | 119.6° | 120.1° |
| CB | CG | SD | HG2 | 120.0° | 120.0° |
| CB | CG | HG1 | HG2 | 119.8° | 120.0° |
| CB | CG | SD | CE | 178.2° | 180.0° |
| CB | CG | SD | O2 | 63.7° | 70.2° |
| CB | CG | SD | O3 | 69.7° | 70.3° |
| HB1 | CB | CG | SD | 29.1° | 60.0° |
| HB1 | CB | CG | HG1 | 90.5° | 180.0° |
| HB1 | CB | CG | HG2 | 149.1° | 60.0° |
| HB2 | CB | CG | SD | 151.1° | 60.0° |
| HB2 | CB | CG | HG1 | 31.6° | 60.0° |
| HB2 | CB | CG | HG2 | 88.9° | 180.0° |
| SD | CG | HG1 | HG2 | 119.7° | 119.9° |
| CG | SD | CE | O2 | 115.2° | 116.2° |
| CG | SD | CE | O3 | 114.1° | 116.2° |
| CG | SD | O2 | O3 | 126.9° | 135.8° |
| CG | SD | CE | CD1 | 92.2° | 90.3° |
| CG | SD | CE | CD2 | 81.0° | 90.0° |
| HG1 | CG | SD | CE | 62.2° | 60.0° |
| HG1 | CG | SD | O2 | 176.7° | 169.7° |
| HG1 | CG | SD | O3 | 49.9° | 49.8° |
| HG2 | CG | SD | CE | 58.2° | 60.0° |
| HG2 | CG | SD | O2 | 56.3° | 49.7° |
| HG2 | CG | SD | O3 | 170.3° | 169.7° |
| CE | SD | O2 | O3 | 122.2° | 114.2° |
| SD | CE | CD1 | CD2 | 173.2° | 179.8° |
| SD | CE | CD1 | CX1 | 172.8° | 179.7° |
| SD | CE | CD1 | HD1 | 7.2° | 0.2° |
| SD | CE | CD2 | CX2 | 172.8° | 180.0° |
| SD | CE | CD2 | HD2 | 7.2° | 0.0° |
| O2 | SD | CE | CD1 | 23.0° | 153.5° |
| O2 | SD | CE | CD2 | 163.8° | 26.2° |
| O3 | SD | CE | CD1 | 153.7° | 25.9° |
| O3 | SD | CE | CD2 | 33.1° | 153.8° |
| CE | CD1 | CX1 | HD1 | 180.0° | 179.5° |
| CD1 | CE | CD2 | CX2 | 0.5° | 0.3° |
| CD1 | CE | CD2 | HD2 | 179.5° | 179.7° |
| CE | CD1 | CX1 | CZ | 0.1° | 0.5° |
| CE | CD1 | CX1 | HX1 | 179.9° | 179.7° |
| CD2 | CE | CD1 | CX1 | 0.4° | 0.5° |
| CD2 | CE | CD1 | HD1 | 179.6° | 180.0° |
| CE | CD2 | CX2 | HD2 | 180.0° | 180.0° |
| CE | CD2 | CX2 | CZ | 0.2° | 0.0° |
| CE | CD2 | CX2 | HX2 | 179.7° | 180.0° |
| O | C | N2 | CA1 | 0.1° | 0.1° |
| O | C | N2 | HN2 | 179.9° | 180.0° |
| C | N2 | CA1 | HN2 | 180.0° | 179.9° |
| C | N2 | CA1 | CB3 | 117.7° | 84.9° |
| C | N2 | CA1 | CT | 117.8° | 155.0° |
| C | N2 | CA1 | HA1 | 0.9° | 35.0° |
| CD1 | CX1 | CZ | HX1 | 180.0° | 179.8° |
| CD1 | CX1 | CZ | CX2 | 0.2° | 0.2° |
| CD1 | CX1 | CZ | HZ | 179.8° | 179.8° |
| HD1 | CD1 | CX1 | CZ | 179.9° | 180.0° |
| HD1 | CD1 | CX1 | HX1 | 0.1° | 0.2° |
| CD2 | CX2 | CZ | CX1 | 0.1° | 0.0° |
| CD2 | CX2 | CZ | HX2 | 180.0° | 180.0° |
| CD2 | CX2 | CZ | HZ | 179.9° | 179.9° |
| HD2 | CD2 | CX2 | CZ | 179.8° | 180.0° |
| HD2 | CD2 | CX2 | HX2 | 0.2° | 0.0° |
| CX1 | CZ | CX2 | HZ | 180.0° | 180.0° |
| CX1 | CZ | CX2 | HX2 | 179.9° | 180.0° |
| HX1 | CX1 | CZ | CX2 | 179.8° | 180.0° |
| HX1 | CX1 | CZ | HZ | 0.2° | 0.0° |
| HX2 | CX2 | CZ | HZ | 0.1° | 0.0° |
| CT | CM | S1 | HM1 | 104.7° | 119.9° |
| CT | CM | S1 | HM2 | 120.0° | 120.0° |
| CT | CM | HM1 | HM2 | 111.9° | 120.0° |
| CM | CT | CA1 | N2 | 73.9° | 65.0° |
| CM | CT | CA1 | CB3 | 49.8° | 175.0° |
| CM | CT | CA1 | HT1 | 119.2° | 120.0° |
| CM | CT | CA1 | HT2 | 120.0° | 120.0° |
| CM | CT | CA1 | HA1 | 168.3° | 55.0° |
| CM | CT | HT1 | HT2 | 119.5° | 120.0° |
| CT | CM | S1 | C41 | 60.8° | 180.0° |
| CT | CM | S1 | O11 | 173.1° | 70.3° |
| CT | CM | S1 | O21 | 56.6° | 70.2° |
| S1 | CM | HM1 | HM2 | 111.9° | 120.0° |
| S1 | CM | CT | CA1 | 107.4° | 180.0° |
| S1 | CM | CT | HT1 | 133.4° | 60.0° |
| S1 | CM | CT | HT2 | 12.6° | 60.0° |
| CM | S1 | C41 | C31 | 125.6° | 90.3° |
| CM | S1 | C41 | C51 | 63.0° | 90.0° |
| CM | S1 | C41 | O11 | 113.5° | 116.1° |
| CM | S1 | C41 | O21 | 120.8° | 116.2° |
| CM | S1 | O11 | O21 | 127.7° | 135.7° |
| HM1 | CM | CT | CA1 | 147.9° | 60.0° |
| HM1 | CM | CT | HT1 | 28.7° | 180.0° |
| HM1 | CM | CT | HT2 | 92.1° | 60.0° |
| HM1 | CM | S1 | C41 | 165.5° | 60.1° |
| HM1 | CM | S1 | O11 | 82.2° | 169.8° |
| HM1 | CM | S1 | O21 | 48.1° | 49.7° |
| HM2 | CM | CT | CA1 | 12.6° | 60.0° |
| HM2 | CM | CT | HT1 | 106.6° | 60.0° |
| HM2 | CM | CT | HT2 | 132.6° | 180.0° |
| HM2 | CM | S1 | C41 | 59.2° | 60.0° |
| HM2 | CM | S1 | O11 | 53.1° | 49.8° |
| HM2 | CM | S1 | O21 | 176.6° | 169.7° |
| N2 | CA1 | CB3 | CT | 125.0° | 120.0° |
| N2 | CA1 | CB3 | HA1 | 118.0° | 120.0° |
| N2 | CA1 | CT | HA1 | 117.8° | 120.0° |
| N2 | CA1 | CB3 | CB2 | 64.8° | 65.0° |
| N2 | CA1 | CB3 | HB31 | 176.6° | 55.0° |
| N2 | CA1 | CB3 | HB32 | 55.2° | 175.0° |
| N2 | CA1 | CT | HT1 | 45.3° | 175.0° |
| N2 | CA1 | CT | HT2 | 166.1° | 55.0° |
| HN2 | N2 | CA1 | CB3 | 62.3° | 95.0° |
| HN2 | N2 | CA1 | CT | 62.2° | 25.1° |
| HN2 | N2 | CA1 | HA1 | 179.1° | 145.1° |
| CB3 | CA1 | CT | HA1 | 118.4° | 120.0° |
| CA1 | CB3 | CB2 | HB31 | 118.6° | 120.0° |
| CA1 | CB3 | CB2 | HB32 | 120.0° | 120.1° |
| CA1 | CB3 | HB31 | HB32 | 119.1° | 120.0° |
| CA1 | CB3 | CB2 | CG1 | 169.7° | 180.0° |
| CA1 | CB3 | CB2 | HB21 | 72.1° | 60.0° |
| CA1 | CB3 | CB2 | HB22 | 49.7° | 60.0° |
| CB3 | CA1 | CT | HT1 | 169.0° | 54.9° |
| CB3 | CA1 | CT | HT2 | 70.1° | 65.0° |
| CT | CA1 | CB3 | CB2 | 170.2° | 175.0° |
| CT | CA1 | CB3 | HB31 | 51.6° | 65.0° |
| CT | CA1 | CB3 | HB32 | 69.9° | 54.9° |
| CA1 | CT | HT1 | HT2 | 119.5° | 120.0° |
| HA1 | CA1 | CB3 | CB2 | 53.2° | 55.0° |
| HA1 | CA1 | CB3 | HB31 | 65.3° | 175.0° |
| HA1 | CA1 | CB3 | HB32 | 173.2° | 65.1° |
| HA1 | CA1 | CT | HT1 | 72.6° | 65.0° |
| HA1 | CA1 | CT | HT2 | 48.3° | 175.0° |
| CB2 | CB3 | HB31 | HB32 | 119.1° | 120.0° |
| CB3 | CB2 | CG1 | CDB | 79.7° | 90.0° |
| CB3 | CB2 | CG1 | CDC | 99.8° | 90.3° |
| CB3 | CB2 | CG1 | HB21 | 118.3° | 120.0° |
| CB3 | CB2 | CG1 | HB22 | 120.0° | 120.0° |
| CB3 | CB2 | HB21 | HB22 | 118.9° | 120.0° |
| HB31 | CB3 | CB2 | CG1 | 51.1° | 60.0° |
| HB31 | CB3 | CB2 | HB21 | 169.4° | 180.0° |
| HB31 | CB3 | CB2 | HB22 | 68.9° | 60.0° |
| HB32 | CB3 | CB2 | CG1 | 70.4° | 60.0° |
| HB32 | CB3 | CB2 | HB21 | 47.9° | 60.0° |
| HB32 | CB3 | CB2 | HB22 | 169.6° | 180.0° |
| CDB | CG1 | CDC | CB2 | 179.5° | 179.7° |
| CG1 | CDB | CE1 | HCD1 | 180.0° | 179.9° |
| CDB | CG1 | CDC | CE2 | 0.1° | 0.5° |
| CDB | CG1 | CDC | HCD2 | 179.9° | 179.9° |
| CG1 | CDB | CE1 | CZ1 | 0.1° | 0.1° |
| CG1 | CDB | CE1 | HE1 | 179.9° | 180.0° |
| CDB | CG1 | CB2 | HB21 | 162.1° | 30.0° |
| CDB | CG1 | CB2 | HB22 | 40.3° | 150.0° |
| CDC | CG1 | CDB | CE1 | 0.2° | 0.3° |
| CDC | CG1 | CDB | HCD1 | 179.8° | 179.8° |
| CG1 | CDC | CE2 | HCD2 | 180.0° | 179.6° |
| CG1 | CDC | CE2 | CZ1 | 0.0° | 0.4° |
| CG1 | CDC | CE2 | HE2 | 180.0° | 179.7° |
| CDC | CG1 | CB2 | HB21 | 18.4° | 149.7° |
| CDC | CG1 | CB2 | HB22 | 140.1° | 29.8° |
| CB2 | CG1 | CDB | CE1 | 179.3° | 179.9° |
| CB2 | CG1 | CDB | HCD1 | 0.7° | 0.1° |
| CB2 | CG1 | CDC | CE2 | 179.4° | 179.8° |
| CB2 | CG1 | CDC | HCD2 | 0.6° | 0.2° |
| CG1 | CB2 | HB21 | HB22 | 118.9° | 120.0° |
| CDB | CE1 | CZ1 | HE1 | 180.0° | 179.9° |
| CDB | CE1 | CZ1 | CE2 | 0.1° | 0.0° |
| CDB | CE1 | CZ1 | HZ1 | 179.9° | 180.0° |
| HCD1 | CDB | CE1 | CZ1 | 179.9° | 179.9° |
| HCD1 | CDB | CE1 | HE1 | 0.1° | 0.1° |
| CDC | CE2 | CZ1 | CE1 | 0.1° | 0.2° |
| CDC | CE2 | CZ1 | HE2 | 180.0° | 179.8° |
| CDC | CE2 | CZ1 | HZ1 | 179.9° | 179.8° |
| HCD2 | CDC | CE2 | CZ1 | 180.0° | 180.0° |
| HCD2 | CDC | CE2 | HE2 | 0.0° | 0.1° |
| CE1 | CZ1 | CE2 | HZ1 | 180.0° | 180.0° |
| CE1 | CZ1 | CE2 | HE2 | 179.9° | 180.0° |
| HE1 | CE1 | CZ1 | CE2 | 179.9° | 180.0° |
| HE1 | CE1 | CZ1 | HZ1 | 0.1° | 0.1° |
| HE2 | CE2 | CZ1 | HZ1 | 0.1° | 0.0° |
| C21 | C1 | C6 | H1 | 180.0° | 180.0° |
| C1 | C21 | C31 | H21 | 180.0° | 179.9° |
| C1 | C21 | C31 | C41 | 0.6° | 0.4° |
| C1 | C21 | C31 | H31 | 179.4° | 180.0° |
| C21 | C1 | C6 | C51 | 0.3° | 0.0° |
| C21 | C1 | C6 | H6 | 179.7° | 180.0° |
| C6 | C1 | C21 | C31 | 0.1° | 0.2° |
| C6 | C1 | C21 | H21 | 179.9° | 179.9° |
| C1 | C6 | C51 | C41 | 0.2° | 0.0° |
| C1 | C6 | C51 | H6 | 180.0° | 180.0° |
| C1 | C6 | C51 | H51 | 179.8° | 180.0° |
| H1 | C1 | C21 | C31 | 179.9° | 179.8° |
| H1 | C1 | C21 | H21 | 0.1° | 0.0° |
| H1 | C1 | C6 | C51 | 179.7° | 180.0° |
| H1 | C1 | C6 | H6 | 0.3° | 0.0° |
| C21 | C31 | C41 | H31 | 180.0° | 179.5° |
| C21 | C31 | C41 | C51 | 0.6° | 0.5° |
| C21 | C31 | C41 | S1 | 172.2° | 179.8° |
| H21 | C21 | C31 | C41 | 179.4° | 179.7° |
| H21 | C21 | C31 | H31 | 0.6° | 0.1° |
| C31 | C41 | C51 | S1 | 171.7° | 179.7° |
| C31 | C41 | C51 | C6 | 0.2° | 0.3° |
| C31 | C41 | C51 | H51 | 179.8° | 179.8° |
| C31 | C41 | S1 | O11 | 12.1° | 153.6° |
| C31 | C41 | S1 | O21 | 113.7° | 25.9° |
| H31 | C31 | C41 | C51 | 179.3° | 180.0° |
| H31 | C31 | C41 | S1 | 7.8° | 0.2° |
| C41 | C51 | C6 | H51 | 180.0° | 179.9° |
| C41 | C51 | C6 | H6 | 179.8° | 180.0° |
| C51 | C41 | S1 | O11 | 176.5° | 26.2° |
| C51 | C41 | S1 | O21 | 57.8° | 153.8° |
| S1 | C41 | C51 | C6 | 171.9° | 180.0° |
| S1 | C41 | C51 | H51 | 8.1° | 0.0° |
| C41 | S1 | O11 | O21 | 119.3° | 114.3° |
| H51 | C51 | C6 | H6 | 0.3° | 0.0° |
