60G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAH | CAI | doub | 1.38Å | 1.39Å | Aromatic |
| CAH | CAJ | sing | 1.38Å | 1.40Å | Aromatic |
| CAI | CAK | sing | 1.38Å | 1.38Å | Aromatic |
| CAB | OAS | sing | 1.43Å | 1.38Å | |
| OAS | C6 | sing | 1.36Å | 1.37Å | |
| CAJ | CAW | doub | 1.38Å | 1.40Å | Aromatic |
| OAG | SBB | doub | 1.42Å | 1.44Å | |
| CAK | CBA | doub | 1.40Å | 1.39Å | Aromatic |
| CAW | CBA | sing | 1.40Å | 1.41Å | Aromatic |
| CAW | CAM | sing | 1.51Å | 1.50Å | |
| C6 | N1 | doub | 1.33Å | 1.36Å | Aromatic |
| C6 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| CBA | CAV | sing | 1.48Å | 1.50Å | |
| SBB | OAF | doub | 1.42Å | 1.45Å | |
| SBB | NAQ | sing | 1.66Å | 1.63Å | |
| SBB | CAM | sing | 1.81Å | 1.78Å | |
| N1 | C2 | sing | 1.32Å | 1.36Å | Aromatic |
| C5 | C4 | doub | 1.39Å | 1.37Å | Aromatic |
| NAQ | CAU | sing | 1.35Å | 1.43Å | |
| OAR | CAV | sing | 1.35Å | 1.38Å | |
| OAR | CAA | sing | 1.45Å | 1.38Å | |
| CAV | OAE | doub | 1.21Å | 1.23Å | |
| C2 | N3 | doub | 1.32Å | 1.34Å | Aromatic |
| C2 | NAP | sing | 1.39Å | 1.43Å | |
| C4 | N3 | sing | 1.33Å | 1.33Å | Aromatic |
| C4 | OAT | sing | 1.36Å | 1.37Å | |
| CAU | NAP | sing | 1.35Å | 1.42Å | |
| CAU | OAD | doub | 1.22Å | 1.22Å | |
| OAT | CAC | sing | 1.43Å | 1.38Å | |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAA | H4 | sing | 1.09Å | 1.10Å | |
| CAK | H5 | sing | 1.08Å | 1.08Å | |
| CAI | H6 | sing | 1.08Å | 1.08Å | |
| CAH | H7 | sing | 1.08Å | 1.08Å | |
| CAJ | H8 | sing | 1.08Å | 1.08Å | |
| CAM | H9 | sing | 1.09Å | 1.10Å | |
| CAM | H10 | sing | 1.09Å | 1.10Å | |
| NAQ | H11 | sing | 0.97Å | 1.00Å | |
| NAP | H12 | sing | 0.97Å | 1.00Å | |
| CAB | H13 | sing | 1.09Å | 1.10Å | |
| CAB | H14 | sing | 1.09Å | 1.10Å | |
| CAB | H15 | sing | 1.09Å | 1.10Å | |
| CAC | H16 | sing | 1.09Å | 1.10Å | |
| CAC | H17 | sing | 1.09Å | 1.10Å | |
| CAC | H18 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAI | CAH | CAJ | 119.7° | 120.3° |
| CAH | CAI | CAK | 119.9° | 120.1° |
| CAH | CAI | H6 | 120.1° | 119.9° |
| CAI | CAH | H7 | 120.1° | 119.8° |
| CAH | CAJ | CAW | 121.2° | 120.2° |
| CAJ | CAH | H7 | 120.2° | 119.9° |
| CAH | CAJ | H8 | 119.4° | 120.0° |
| CAI | CAK | CBA | 120.8° | 119.8° |
| CAI | CAK | H5 | 119.6° | 120.1° |
| CAK | CAI | H6 | 120.1° | 119.9° |
| CAB | OAS | C6 | 118.3° | 117.0° |
| OAS | CAB | H13 | 109.5° | 109.5° |
| OAS | CAB | H14 | 109.5° | 109.5° |
| OAS | CAB | H15 | 109.5° | 109.5° |
| OAS | C6 | N1 | 120.7° | 120.4° |
| OAS | C6 | C5 | 120.6° | 120.4° |
| CAJ | CAW | CBA | 117.8° | 119.8° |
| CAJ | CAW | CAM | 119.3° | 120.1° |
| CAW | CAJ | H8 | 119.4° | 119.9° |
| OAG | SBB | OAF | 103.3° | 121.1° |
| OAG | SBB | NAQ | 109.8° | 104.3° |
| OAG | SBB | CAM | 111.6° | 110.5° |
| CAK | CBA | CAW | 120.7° | 119.7° |
| CAK | CBA | CAV | 118.0° | 120.1° |
| CBA | CAK | H5 | 119.6° | 120.1° |
| CBA | CAW | CAM | 122.8° | 120.0° |
| CAW | CBA | CAV | 121.4° | 120.2° |
| CAW | CAM | SBB | 111.3° | 109.5° |
| CAW | CAM | H9 | 109.0° | 109.4° |
| CAW | CAM | H10 | 109.0° | 109.4° |
| N1 | C6 | C5 | 118.8° | 119.1° |
| C6 | N1 | C2 | 118.9° | 120.8° |
| C6 | C5 | C4 | 120.7° | 118.4° |
| C6 | C5 | H1 | 119.6° | 120.8° |
| CBA | CAV | OAR | 119.9° | 120.0° |
| CBA | CAV | OAE | 119.5° | 120.0° |
| OAF | SBB | NAQ | 108.0° | 104.3° |
| OAF | SBB | CAM | 108.5° | 110.5° |
| NAQ | SBB | CAM | 114.9° | 104.4° |
| SBB | NAQ | CAU | 119.8° | 120.0° |
| SBB | NAQ | H11 | 120.1° | 120.0° |
| SBB | CAM | H9 | 109.0° | 109.5° |
| SBB | CAM | H10 | 109.0° | 109.5° |
| N1 | C2 | N3 | 121.3° | 121.7° |
| N1 | C2 | NAP | 124.1° | 119.1° |
| C5 | C4 | N3 | 118.7° | 119.2° |
| C5 | C4 | OAT | 122.5° | 120.4° |
| C4 | C5 | H1 | 119.7° | 120.8° |
| NAQ | CAU | NAP | 122.3° | 120.0° |
| NAQ | CAU | OAD | 120.2° | 120.0° |
| CAU | NAQ | H11 | 120.1° | 119.9° |
| CAV | OAR | CAA | 119.6° | 117.0° |
| OAR | CAV | OAE | 118.6° | 120.0° |
| OAR | CAA | H2 | 109.5° | 109.5° |
| OAR | CAA | H3 | 109.5° | 109.5° |
| OAR | CAA | H4 | 109.4° | 109.5° |
| N3 | C2 | NAP | 114.7° | 119.2° |
| C2 | N3 | C4 | 121.7° | 120.8° |
| C2 | NAP | CAU | 127.5° | 120.0° |
| C2 | NAP | H12 | 116.2° | 120.0° |
| N3 | C4 | OAT | 118.9° | 120.4° |
| C4 | OAT | CAC | 117.8° | 117.0° |
| NAP | CAU | OAD | 117.5° | 120.0° |
| CAU | NAP | H12 | 116.3° | 120.0° |
| OAT | CAC | H16 | 109.5° | 109.5° |
| OAT | CAC | H17 | 109.4° | 109.4° |
| OAT | CAC | H18 | 109.4° | 109.5° |
| H2 | CAA | H3 | 109.4° | 109.5° |
| H2 | CAA | H4 | 109.5° | 109.4° |
| H3 | CAA | H4 | 109.5° | 109.5° |
| H9 | CAM | H10 | 109.5° | 109.5° |
| H13 | CAB | H14 | 109.5° | 109.4° |
| H13 | CAB | H15 | 109.4° | 109.5° |
| H14 | CAB | H15 | 109.4° | 109.4° |
| H16 | CAC | H17 | 109.5° | 109.5° |
| H16 | CAC | H18 | 109.5° | 109.5° |
| H17 | CAC | H18 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAI | CAH | CAJ | H7 | 180.0° | 180.0° |
| CAH | CAI | CAK | H6 | 180.0° | 179.9° |
| CAI | CAH | CAJ | CAW | 0.0° | 0.2° |
| CAH | CAI | CAK | CBA | 0.1° | 0.0° |
| CAH | CAI | CAK | H5 | 179.9° | 179.9° |
| CAI | CAH | CAJ | H8 | 180.0° | 180.0° |
| CAJ | CAH | CAI | CAK | 0.0° | 0.0° |
| CAH | CAJ | CAW | H8 | 180.0° | 179.8° |
| CAH | CAJ | CAW | CBA | 0.1° | 0.5° |
| CAH | CAJ | CAW | CAM | 179.8° | 180.0° |
| CAJ | CAH | CAI | H6 | 180.0° | 179.9° |
| CAI | CAK | CBA | H5 | 180.0° | 179.9° |
| CAI | CAK | CBA | CAW | 0.2° | 0.3° |
| CAI | CAK | CBA | CAV | 179.7° | 180.0° |
| CAK | CAI | CAH | H7 | 180.0° | 180.0° |
| CAB | OAS | C6 | N1 | 169.3° | 0.1° |
| CAB | OAS | C6 | C5 | 10.2° | 179.5° |
| OAS | CAB | H13 | H14 | 120.0° | 120.0° |
| OAS | CAB | H13 | H15 | 120.0° | 120.0° |
| OAS | CAB | H14 | H15 | 120.0° | 120.0° |
| OAS | C6 | N1 | C5 | 179.5° | 179.4° |
| OAS | C6 | N1 | C2 | 179.7° | 180.0° |
| OAS | C6 | C5 | C4 | 179.8° | 179.8° |
| OAS | C6 | C5 | H1 | 0.2° | 0.3° |
| C6 | OAS | CAB | H13 | 180.0° | 60.0° |
| C6 | OAS | CAB | H14 | 60.0° | 180.0° |
| C6 | OAS | CAB | H15 | 60.0° | 60.0° |
| CAJ | CAW | CBA | CAK | 0.2° | 0.5° |
| CAJ | CAW | CBA | CAM | 179.7° | 179.5° |
| CAJ | CAW | CBA | CAV | 179.6° | 179.7° |
| CAJ | CAW | CAM | SBB | 88.2° | 94.8° |
| CAW | CAJ | CAH | H7 | 180.0° | 179.8° |
| CAJ | CAW | CAM | H9 | 32.1° | 145.2° |
| CAJ | CAW | CAM | H10 | 151.5° | 25.2° |
| OAG | SBB | CAM | CAW | 42.2° | 68.4° |
| OAG | SBB | OAF | NAQ | 116.3° | 116.8° |
| OAG | SBB | OAF | CAM | 118.5° | 131.5° |
| OAG | SBB | NAQ | CAM | 126.7° | 116.1° |
| OAG | SBB | NAQ | CAU | 176.8° | 179.0° |
| OAG | SBB | CAM | H9 | 78.0° | 51.6° |
| OAG | SBB | CAM | H10 | 162.5° | 171.6° |
| OAG | SBB | NAQ | H11 | 3.2° | 1.1° |
| CAK | CBA | CAW | CAV | 179.4° | 179.7° |
| CAK | CBA | CAW | CAM | 179.9° | 179.9° |
| CAK | CBA | CAV | OAR | 43.0° | 5.5° |
| CAK | CBA | CAV | OAE | 120.4° | 174.4° |
| CBA | CAK | CAI | H6 | 179.8° | 180.0° |
| CBA | CAW | CAM | SBB | 91.5° | 85.7° |
| CAW | CBA | CAV | OAR | 137.5° | 174.7° |
| CAW | CBA | CAV | OAE | 59.0° | 5.3° |
| CAW | CBA | CAK | H5 | 179.8° | 179.8° |
| CBA | CAW | CAJ | H8 | 179.9° | 179.7° |
| CBA | CAW | CAM | H9 | 148.2° | 34.4° |
| CBA | CAW | CAM | H10 | 28.8° | 154.3° |
| CAM | CAW | CBA | CAV | 0.7° | 0.2° |
| CAW | CAM | SBB | OAF | 155.4° | 68.4° |
| CAW | CAM | SBB | NAQ | 83.7° | 180.0° |
| CAW | CAM | SBB | H9 | 120.3° | 120.0° |
| CAW | CAM | SBB | H10 | 120.3° | 120.0° |
| CAM | CAW | CAJ | H8 | 0.2° | 0.2° |
| CAW | CAM | H9 | H10 | 119.2° | 119.9° |
| N1 | C6 | C5 | C4 | 0.3° | 0.8° |
| C6 | N1 | C2 | N3 | 0.3° | 0.0° |
| C6 | N1 | C2 | NAP | 179.5° | 179.7° |
| N1 | C6 | C5 | H1 | 179.7° | 179.7° |
| C5 | C6 | N1 | C2 | 0.2° | 0.6° |
| C6 | C5 | C4 | H1 | 180.0° | 179.5° |
| C6 | C5 | C4 | N3 | 0.0° | 0.6° |
| C6 | C5 | C4 | OAT | 179.9° | 179.5° |
| CBA | CAV | OAR | OAE | 163.7° | 180.0° |
| CBA | CAV | OAR | CAA | 174.1° | 180.0° |
| CAV | CBA | CAK | H5 | 0.3° | 0.1° |
| OAF | SBB | NAQ | CAM | 121.3° | 116.0° |
| OAF | SBB | NAQ | CAU | 64.8° | 51.1° |
| OAF | SBB | CAM | H9 | 35.1° | 171.6° |
| OAF | SBB | CAM | H10 | 84.3° | 51.6° |
| OAF | SBB | NAQ | H11 | 115.2° | 129.0° |
| SBB | NAQ | CAU | H11 | 180.0° | 179.9° |
| SBB | NAQ | CAU | NAP | 179.4° | 180.0° |
| SBB | NAQ | CAU | OAD | 1.7° | 0.1° |
| NAQ | SBB | CAM | H9 | 156.1° | 60.0° |
| NAQ | SBB | CAM | H10 | 36.6° | 60.0° |
| CAM | SBB | NAQ | CAU | 56.5° | 65.0° |
| SBB | CAM | H9 | H10 | 119.1° | 120.0° |
| CAM | SBB | NAQ | H11 | 123.6° | 114.9° |
| N1 | C2 | N3 | NAP | 179.3° | 179.7° |
| N1 | C2 | N3 | C4 | 0.7° | 0.3° |
| N1 | C2 | NAP | CAU | 14.9° | 0.3° |
| N1 | C2 | NAP | H12 | 165.1° | 179.7° |
| C5 | C4 | N3 | C2 | 0.5° | 0.0° |
| C5 | C4 | N3 | OAT | 179.9° | 180.0° |
| C5 | C4 | OAT | CAC | 169.1° | 180.0° |
| NAQ | CAU | NAP | C2 | 1.8° | 179.9° |
| NAQ | CAU | NAP | OAD | 178.9° | 179.9° |
| NAQ | CAU | NAP | H12 | 178.3° | 0.0° |
| CAV | OAR | CAA | H2 | 180.0° | 60.0° |
| CAV | OAR | CAA | H3 | 60.0° | 60.0° |
| CAV | OAR | CAA | H4 | 60.0° | 180.0° |
| CAA | OAR | CAV | OAE | 22.3° | 0.0° |
| OAR | CAA | H2 | H3 | 120.0° | 120.0° |
| OAR | CAA | H2 | H4 | 120.0° | 120.0° |
| OAR | CAA | H3 | H4 | 120.0° | 120.0° |
| C2 | N3 | C4 | OAT | 179.6° | 180.0° |
| N3 | C2 | NAP | CAU | 164.4° | 180.0° |
| N3 | C2 | NAP | H12 | 15.6° | 0.0° |
| NAP | C2 | N3 | C4 | 180.0° | 180.0° |
| C2 | NAP | CAU | H12 | 180.0° | 180.0° |
| C2 | NAP | CAU | OAD | 179.3° | 0.0° |
| N3 | C4 | OAT | CAC | 11.1° | 0.0° |
| N3 | C4 | C5 | H1 | 180.0° | 180.0° |
| OAT | C4 | C5 | H1 | 0.1° | 0.0° |
| C4 | OAT | CAC | H16 | 180.0° | 60.0° |
| C4 | OAT | CAC | H17 | 60.0° | 60.0° |
| C4 | OAT | CAC | H18 | 60.0° | 180.0° |
| NAP | CAU | NAQ | H11 | 0.6° | 0.1° |
| OAD | CAU | NAQ | H11 | 178.3° | 180.0° |
| OAD | CAU | NAP | H12 | 0.7° | 179.9° |
| OAT | CAC | H16 | H17 | 120.0° | 120.0° |
| OAT | CAC | H16 | H18 | 120.0° | 120.0° |
| OAT | CAC | H17 | H18 | 119.9° | 120.0° |
| H2 | CAA | H3 | H4 | 120.0° | 120.0° |
| H5 | CAK | CAI | H6 | 0.2° | 0.1° |
| H6 | CAI | CAH | H7 | 0.0° | 0.1° |
| H7 | CAH | CAJ | H8 | 0.0° | 0.0° |
| H13 | CAB | H14 | H15 | 119.9° | 120.0° |
| H16 | CAC | H17 | H18 | 120.0° | 120.1° |
