3G8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAL | sing | 1.53Å | 1.55Å | |
| CAL | NAW | sing | 1.46Å | 1.48Å | |
| NAW | CAM | sing | 1.46Å | 1.49Å | |
| NAW | CAQ | sing | 1.39Å | 1.36Å | |
| CAM | CAB | sing | 1.53Å | 1.53Å | |
| CAH | CAQ | doub | 1.40Å | 1.40Å | Aromatic |
| CAH | CAI | sing | 1.36Å | 1.41Å | Aromatic |
| CAQ | CAJ | sing | 1.39Å | 1.39Å | Aromatic |
| CAI | CAU | doub | 1.40Å | 1.40Å | Aromatic |
| CAJ | CAV | doub | 1.38Å | 1.39Å | Aromatic |
| CAU | CAV | sing | 1.41Å | 1.40Å | Aromatic |
| CAU | CAK | sing | 1.42Å | 1.40Å | |
| CAV | OAN | sing | 1.35Å | 1.36Å | |
| CAK | CAS | doub | 1.39Å | 1.40Å | |
| OAN | CAT | sing | 1.35Å | 1.38Å | |
| CAS | CAT | sing | 1.47Å | 1.42Å | |
| CAS | CAP | sing | 1.47Å | 1.42Å | |
| CAT | OAD | doub | 1.22Å | 1.23Å | |
| CAG | CAE | sing | 1.37Å | 1.36Å | Aromatic |
| CAG | CAR | doub | 1.37Å | 1.34Å | Aromatic |
| CAE | CAF | doub | 1.34Å | 1.35Å | Aromatic |
| CAR | CAP | sing | 1.47Å | 1.36Å | |
| CAR | SAO | sing | 1.76Å | 1.72Å | Aromatic |
| CAP | OAC | doub | 1.22Å | 1.24Å | |
| CAF | SAO | sing | 1.71Å | 1.69Å | Aromatic |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAL | H4 | sing | 1.09Å | 1.10Å | |
| CAL | H5 | sing | 1.09Å | 1.10Å | |
| CAM | H6 | sing | 1.09Å | 1.10Å | |
| CAM | H7 | sing | 1.09Å | 1.10Å | |
| CAB | H8 | sing | 1.09Å | 1.10Å | |
| CAB | H9 | sing | 1.09Å | 1.10Å | |
| CAB | H10 | sing | 1.09Å | 1.10Å | |
| CAJ | H11 | sing | 1.08Å | 1.08Å | |
| CAH | H12 | sing | 1.08Å | 1.08Å | |
| CAI | H13 | sing | 1.08Å | 1.08Å | |
| CAK | H14 | sing | 1.08Å | 1.08Å | |
| CAF | H15 | sing | 1.08Å | 1.08Å | |
| CAE | H16 | sing | 1.08Å | 1.08Å | |
| CAG | H17 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | CAL | NAW | 108.5° | 109.5° |
| CAL | CAA | H1 | 109.5° | 109.5° |
| CAL | CAA | H2 | 109.5° | 109.5° |
| CAL | CAA | H3 | 109.5° | 109.5° |
| CAA | CAL | H4 | 109.7° | 109.5° |
| CAA | CAL | H5 | 109.7° | 109.5° |
| CAL | NAW | CAM | 114.7° | 120.0° |
| CAL | NAW | CAQ | 121.9° | 120.0° |
| NAW | CAL | H4 | 109.7° | 109.5° |
| NAW | CAL | H5 | 109.7° | 109.5° |
| CAM | NAW | CAQ | 123.0° | 120.0° |
| NAW | CAM | CAB | 111.3° | 109.5° |
| NAW | CAM | H6 | 109.0° | 109.4° |
| NAW | CAM | H7 | 109.0° | 109.5° |
| NAW | CAQ | CAH | 121.5° | 119.8° |
| NAW | CAQ | CAJ | 120.8° | 119.8° |
| CAB | CAM | H6 | 109.0° | 109.4° |
| CAB | CAM | H7 | 109.0° | 109.5° |
| CAM | CAB | H8 | 109.5° | 109.5° |
| CAM | CAB | H9 | 109.5° | 109.4° |
| CAM | CAB | H10 | 109.4° | 109.5° |
| CAQ | CAH | CAI | 121.4° | 120.5° |
| CAH | CAQ | CAJ | 117.7° | 120.4° |
| CAQ | CAH | H12 | 119.3° | 119.8° |
| CAH | CAI | CAU | 120.2° | 119.9° |
| CAI | CAH | H12 | 119.3° | 119.8° |
| CAH | CAI | H13 | 119.9° | 120.0° |
| CAQ | CAJ | CAV | 121.0° | 119.8° |
| CAQ | CAJ | H11 | 119.5° | 120.1° |
| CAI | CAU | CAV | 118.0° | 119.8° |
| CAI | CAU | CAK | 121.2° | 120.4° |
| CAU | CAI | H13 | 119.9° | 120.1° |
| CAJ | CAV | CAU | 121.7° | 119.5° |
| CAJ | CAV | OAN | 119.5° | 120.2° |
| CAV | CAJ | H11 | 119.5° | 120.0° |
| CAV | CAU | CAK | 120.8° | 119.8° |
| CAU | CAV | OAN | 118.8° | 120.2° |
| CAU | CAK | CAS | 119.8° | 117.9° |
| CAU | CAK | H14 | 120.1° | 121.0° |
| CAV | OAN | CAT | 122.5° | 116.3° |
| CAK | CAS | CAT | 118.5° | 117.3° |
| CAK | CAS | CAP | 121.7° | 121.4° |
| CAS | CAK | H14 | 120.1° | 121.0° |
| OAN | CAT | CAS | 119.5° | 117.8° |
| OAN | CAT | OAD | 119.3° | 121.0° |
| CAT | CAS | CAP | 119.6° | 121.4° |
| CAS | CAT | OAD | 121.2° | 121.2° |
| CAS | CAP | CAR | 123.3° | 120.0° |
| CAS | CAP | OAC | 119.3° | 120.0° |
| CAE | CAG | CAR | 114.3° | 113.3° |
| CAG | CAE | CAF | 116.0° | 115.1° |
| CAG | CAE | H16 | 122.0° | 122.5° |
| CAE | CAG | H17 | 122.8° | 123.3° |
| CAG | CAR | CAP | 130.0° | 125.5° |
| CAG | CAR | SAO | 107.6° | 109.0° |
| CAR | CAG | H17 | 122.8° | 123.4° |
| CAE | CAF | SAO | 107.5° | 111.0° |
| CAE | CAF | H15 | 126.3° | 124.5° |
| CAF | CAE | H16 | 122.0° | 122.4° |
| CAP | CAR | SAO | 122.3° | 125.5° |
| CAR | CAP | OAC | 117.4° | 120.0° |
| CAR | SAO | CAF | 94.6° | 91.6° |
| SAO | CAF | H15 | 126.3° | 124.6° |
| H1 | CAA | H2 | 109.4° | 109.5° |
| H1 | CAA | H3 | 109.5° | 109.5° |
| H2 | CAA | H3 | 109.5° | 109.5° |
| H4 | CAL | H5 | 109.5° | 109.4° |
| H6 | CAM | H7 | 109.4° | 109.5° |
| H8 | CAB | H9 | 109.4° | 109.4° |
| H8 | CAB | H10 | 109.5° | 109.5° |
| H9 | CAB | H10 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | CAL | NAW | H4 | 119.8° | 120.0° |
| CAA | CAL | NAW | H5 | 119.8° | 120.0° |
| CAA | CAL | NAW | CAM | 78.4° | 90.0° |
| CAA | CAL | NAW | CAQ | 95.1° | 90.0° |
| CAL | CAA | H1 | H2 | 120.0° | 120.0° |
| CAL | CAA | H1 | H3 | 120.0° | 120.0° |
| CAL | CAA | H2 | H3 | 120.0° | 120.0° |
| CAA | CAL | H4 | H5 | 120.5° | 120.0° |
| CAL | NAW | CAM | CAQ | 173.4° | 180.0° |
| CAL | NAW | CAM | CAB | 92.5° | 90.1° |
| CAL | NAW | CAQ | CAH | 3.3° | 0.3° |
| CAL | NAW | CAQ | CAJ | 178.2° | 180.0° |
| NAW | CAL | CAA | H1 | 180.0° | 60.0° |
| NAW | CAL | CAA | H2 | 60.0° | 60.0° |
| NAW | CAL | CAA | H3 | 60.0° | 180.0° |
| NAW | CAL | H4 | H5 | 120.4° | 120.0° |
| CAL | NAW | CAM | H6 | 147.2° | 150.0° |
| CAL | NAW | CAM | H7 | 27.8° | 30.0° |
| NAW | CAM | CAB | H6 | 120.3° | 119.9° |
| NAW | CAM | CAB | H7 | 120.3° | 120.1° |
| CAM | NAW | CAQ | CAH | 169.6° | 179.7° |
| CAM | NAW | CAQ | CAJ | 8.9° | 0.0° |
| CAM | NAW | CAL | H4 | 41.4° | 30.0° |
| CAM | NAW | CAL | H5 | 161.7° | 150.0° |
| NAW | CAM | H6 | H7 | 119.2° | 120.0° |
| NAW | CAM | CAB | H8 | 180.0° | 180.0° |
| NAW | CAM | CAB | H9 | 60.0° | 60.1° |
| NAW | CAM | CAB | H10 | 60.0° | 59.9° |
| CAQ | NAW | CAM | CAB | 94.1° | 89.9° |
| NAW | CAQ | CAH | CAJ | 178.6° | 179.8° |
| NAW | CAQ | CAH | CAI | 179.2° | 179.4° |
| NAW | CAQ | CAJ | CAV | 179.3° | 179.8° |
| CAQ | NAW | CAL | H4 | 145.1° | 150.0° |
| CAQ | NAW | CAL | H5 | 24.8° | 30.0° |
| CAQ | NAW | CAM | H6 | 26.2° | 30.0° |
| CAQ | NAW | CAM | H7 | 145.6° | 150.0° |
| NAW | CAQ | CAJ | H11 | 0.7° | 0.3° |
| NAW | CAQ | CAH | H12 | 0.8° | 0.6° |
| CAB | CAM | H6 | H7 | 119.1° | 120.0° |
| CAM | CAB | H8 | H9 | 120.0° | 120.0° |
| CAM | CAB | H8 | H10 | 120.0° | 120.1° |
| CAM | CAB | H9 | H10 | 120.0° | 120.0° |
| CAQ | CAH | CAI | H12 | 180.0° | 180.0° |
| CAQ | CAH | CAI | CAU | 0.6° | 0.5° |
| CAH | CAQ | CAJ | CAV | 0.7° | 0.0° |
| CAH | CAQ | CAJ | H11 | 179.3° | 180.0° |
| CAQ | CAH | CAI | H13 | 179.4° | 179.5° |
| CAI | CAH | CAQ | CAJ | 0.6° | 0.4° |
| CAH | CAI | CAU | H13 | 180.0° | 180.0° |
| CAH | CAI | CAU | CAV | 0.6° | 1.7° |
| CAH | CAI | CAU | CAK | 179.3° | 178.2° |
| CAQ | CAJ | CAV | H11 | 180.0° | 179.9° |
| CAQ | CAJ | CAV | CAU | 0.8° | 1.3° |
| CAQ | CAJ | CAV | OAN | 180.0° | 177.6° |
| CAJ | CAQ | CAH | H12 | 179.4° | 179.6° |
| CAI | CAU | CAV | CAJ | 0.7° | 2.1° |
| CAI | CAU | CAV | CAK | 178.7° | 179.9° |
| CAI | CAU | CAV | OAN | 179.9° | 176.8° |
| CAI | CAU | CAK | CAS | 178.4° | 170.6° |
| CAU | CAI | CAH | H12 | 179.4° | 179.5° |
| CAI | CAU | CAK | H14 | 1.7° | 9.4° |
| CAJ | CAV | CAU | OAN | 179.2° | 178.9° |
| CAJ | CAV | CAU | CAK | 179.4° | 177.8° |
| CAJ | CAV | OAN | CAT | 177.5° | 153.1° |
| CAV | CAU | CAK | CAS | 0.2° | 9.4° |
| CAU | CAV | OAN | CAT | 3.3° | 28.1° |
| CAU | CAV | CAJ | H11 | 179.2° | 178.8° |
| CAV | CAU | CAI | H13 | 179.4° | 178.3° |
| CAV | CAU | CAK | H14 | 179.7° | 170.6° |
| CAK | CAU | CAV | OAN | 1.4° | 3.3° |
| CAU | CAK | CAS | H14 | 180.0° | 180.0° |
| CAU | CAK | CAS | CAT | 0.1° | 2.0° |
| CAU | CAK | CAS | CAP | 175.5° | 178.6° |
| CAK | CAU | CAI | H13 | 0.7° | 1.8° |
| CAV | OAN | CAT | CAS | 3.4° | 39.5° |
| CAV | OAN | CAT | OAD | 179.4° | 140.7° |
| OAN | CAV | CAJ | H11 | 0.1° | 2.3° |
| CAK | CAS | CAT | OAN | 1.6° | 26.7° |
| CAK | CAS | CAT | CAP | 175.7° | 179.4° |
| CAK | CAS | CAT | OAD | 178.8° | 153.5° |
| CAK | CAS | CAP | CAR | 43.2° | 114.1° |
| CAK | CAS | CAP | OAC | 134.1° | 65.9° |
| OAN | CAT | CAS | OAD | 177.2° | 179.7° |
| OAN | CAT | CAS | CAP | 177.3° | 153.9° |
| CAT | CAS | CAP | CAR | 141.2° | 66.5° |
| CAT | CAS | CAP | OAC | 41.4° | 113.5° |
| CAT | CAS | CAK | H14 | 179.8° | 178.0° |
| CAP | CAS | CAT | OAD | 5.5° | 25.9° |
| CAS | CAP | CAR | CAG | 13.9° | 175.4° |
| CAS | CAP | CAR | OAC | 177.4° | 180.0° |
| CAS | CAP | CAR | SAO | 168.5° | 4.9° |
| CAP | CAS | CAK | H14 | 4.6° | 1.4° |
| CAE | CAG | CAR | H17 | 180.0° | 179.7° |
| CAG | CAE | CAF | H16 | 180.0° | 179.8° |
| CAE | CAG | CAR | CAP | 178.0° | 179.9° |
| CAE | CAG | CAR | SAO | 0.1° | 0.4° |
| CAG | CAE | CAF | SAO | 0.8° | 0.2° |
| CAG | CAE | CAF | H15 | 179.2° | 179.8° |
| CAR | CAG | CAE | CAF | 0.4° | 0.4° |
| CAG | CAR | CAP | SAO | 177.6° | 179.6° |
| CAG | CAR | CAP | OAC | 168.7° | 4.6° |
| CAG | CAR | SAO | CAF | 0.5° | 0.2° |
| CAR | CAG | CAE | H16 | 179.6° | 179.8° |
| CAE | CAF | SAO | CAR | 0.7° | 0.0° |
| CAE | CAF | SAO | H15 | 180.0° | 180.0° |
| CAF | CAE | CAG | H17 | 179.6° | 180.0° |
| CAP | CAR | SAO | CAF | 178.6° | 179.9° |
| CAP | CAR | CAG | H17 | 2.0° | 0.3° |
| SAO | CAR | CAP | OAC | 8.9° | 175.1° |
| CAR | SAO | CAF | H15 | 179.3° | 179.9° |
| SAO | CAR | CAG | H17 | 179.9° | 180.0° |
| SAO | CAF | CAE | H16 | 179.3° | 180.0° |
| H1 | CAA | H2 | H3 | 120.0° | 120.0° |
| H1 | CAA | CAL | H4 | 60.2° | 60.0° |
| H1 | CAA | CAL | H5 | 60.2° | 180.0° |
| H2 | CAA | CAL | H4 | 59.8° | 179.9° |
| H2 | CAA | CAL | H5 | 179.8° | 60.0° |
| H3 | CAA | CAL | H4 | 179.8° | 60.0° |
| H3 | CAA | CAL | H5 | 59.8° | 60.0° |
| H6 | CAM | CAB | H8 | 59.7° | 60.1° |
| H6 | CAM | CAB | H9 | 179.7° | 180.0° |
| H6 | CAM | CAB | H10 | 60.3° | 60.0° |
| H7 | CAM | CAB | H8 | 59.7° | 60.0° |
| H7 | CAM | CAB | H9 | 60.3° | 60.0° |
| H7 | CAM | CAB | H10 | 179.7° | 180.0° |
| H8 | CAB | H9 | H10 | 120.0° | 120.0° |
| H12 | CAH | CAI | H13 | 0.6° | 0.5° |
| H15 | CAF | CAE | H16 | 0.8° | 0.0° |
| H16 | CAE | CAG | H17 | 0.4° | 0.1° |
