G6W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAR | CAU | sing | 1.48Å | 1.34Å | |
| CAA | CAO | sing | 1.51Å | 1.54Å | |
| CAU | CAT | doub | 1.38Å | 1.36Å | Aromatic |
| CAU | SAN | sing | 1.76Å | 1.65Å | Aromatic |
| CAO | CAT | sing | 1.42Å | 1.36Å | |
| CAO | OAF | doub | 1.21Å | 1.23Å | |
| CAT | NAL | sing | 1.33Å | 1.36Å | Aromatic |
| SAN | CAS | sing | 1.76Å | 1.64Å | Aromatic |
| NAL | CAS | doub | 1.29Å | 1.34Å | Aromatic |
| CAS | NAM | sing | 1.39Å | 1.35Å | |
| OAG | CAP | doub | 1.21Å | 1.23Å | |
| NAM | CAP | sing | 1.35Å | 1.36Å | |
| NAE | CAV | sing | 1.47Å | 1.47Å | |
| CAP | CAV | sing | 1.51Å | 1.53Å | |
| CAV | CAC | sing | 1.53Å | 1.53Å | |
| CAV | CAB | sing | 1.53Å | 1.53Å | |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAB | H4 | sing | 1.09Å | 1.10Å | |
| CAB | H5 | sing | 1.09Å | 1.10Å | |
| CAB | H6 | sing | 1.09Å | 1.10Å | |
| CAC | H7 | sing | 1.09Å | 1.10Å | |
| CAC | H8 | sing | 1.09Å | 1.10Å | |
| CAC | H9 | sing | 1.09Å | 1.10Å | |
| NAE | H13 | sing | 1.01Å | 1.00Å | |
| NAE | H14 | sing | 1.01Å | 1.00Å | |
| NAM | H16 | sing | 0.97Å | 1.00Å | |
| CAR | C1 | sing | 1.40Å | 156.25Å | Aromatic |
| CAR | C2 | doub | 1.40Å | 156.25Å | Aromatic |
| C1 | N1 | doub | 1.32Å | 0.00Å | Aromatic |
| C2 | C4 | sing | 1.39Å | 0.00Å | Aromatic |
| C4 | C5 | doub | 1.39Å | 0.00Å | Aromatic |
| N1 | C5 | sing | 1.32Å | 0.00Å | Aromatic |
| C4 | N2 | sing | 1.40Å | 0.00Å | |
| C1 | H10 | sing | 1.08Å | 0.00Å | |
| C2 | H11 | sing | 1.08Å | 0.00Å | |
| C5 | H12 | sing | 1.08Å | 0.00Å | |
| N2 | H15 | sing | 0.97Å | 0.00Å | |
| N2 | H17 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAR | CAU | CAT | 131.3° | 126.0° |
| CAR | CAU | SAN | 120.2° | 126.0° |
| CAU | CAR | C1 | 109.3° | 120.5° |
| CAU | CAR | C2 | 109.3° | 120.6° |
| CAA | CAO | CAT | 121.3° | 120.0° |
| CAA | CAO | OAF | 118.8° | 120.0° |
| CAO | CAA | H1 | 109.5° | 109.5° |
| CAO | CAA | H2 | 109.5° | 109.5° |
| CAO | CAA | H3 | 109.5° | 109.5° |
| CAT | CAU | SAN | 108.6° | 108.0° |
| CAU | CAT | CAO | 130.4° | 122.8° |
| CAU | CAT | NAL | 112.1° | 114.3° |
| CAU | SAN | CAS | 96.2° | 90.3° |
| CAT | CAO | OAF | 120.0° | 120.0° |
| CAO | CAT | NAL | 117.5° | 122.9° |
| CAT | NAL | CAS | 115.3° | 117.2° |
| SAN | CAS | NAL | 107.9° | 110.2° |
| SAN | CAS | NAM | 128.2° | 124.9° |
| NAL | CAS | NAM | 123.9° | 124.9° |
| CAS | NAM | CAP | 122.4° | 120.0° |
| CAS | NAM | H16 | 118.8° | 120.0° |
| OAG | CAP | NAM | 126.1° | 120.0° |
| OAG | CAP | CAV | 119.0° | 120.0° |
| NAM | CAP | CAV | 114.8° | 120.0° |
| CAP | NAM | H16 | 118.8° | 120.0° |
| NAE | CAV | CAP | 109.6° | 109.4° |
| NAE | CAV | CAC | 110.5° | 109.5° |
| NAE | CAV | CAB | 110.0° | 109.5° |
| CAV | NAE | H13 | 109.5° | 111.0° |
| CAV | NAE | H14 | 109.5° | 111.0° |
| CAP | CAV | CAC | 107.8° | 109.5° |
| CAP | CAV | CAB | 109.5° | 109.4° |
| CAC | CAV | CAB | 109.4° | 109.5° |
| CAV | CAC | H7 | 109.5° | 109.4° |
| CAV | CAC | H8 | 109.5° | 109.5° |
| CAV | CAC | H9 | 109.4° | 109.4° |
| CAV | CAB | H4 | 109.5° | 109.5° |
| CAV | CAB | H5 | 109.4° | 109.5° |
| CAV | CAB | H6 | 109.4° | 109.5° |
| H1 | CAA | H2 | 109.5° | 109.5° |
| H1 | CAA | H3 | 109.5° | 109.5° |
| H2 | CAA | H3 | 109.4° | 109.4° |
| H4 | CAB | H5 | 109.5° | 109.5° |
| H4 | CAB | H6 | 109.5° | 109.5° |
| H5 | CAB | H6 | 109.5° | 109.5° |
| H7 | CAC | H8 | 109.5° | 109.5° |
| H7 | CAC | H9 | 109.5° | 109.5° |
| H8 | CAC | H9 | 109.5° | 109.5° |
| H13 | NAE | H14 | 109.5° | 111.0° |
| C1 | CAR | C2 | 0.0° | 118.9° |
| CAR | C1 | N1 | 90.0° | 120.8° |
| CAR | C1 | H10 | 90.0° | 119.6° |
| CAR | C2 | C4 | 90.0° | 118.2° |
| CAR | C2 | H11 | 90.0° | 120.9° |
| C1 | N1 | C5 | 90.0° | 121.9° |
| N1 | C1 | H10 | 90.0° | 119.6° |
| C2 | C4 | C5 | 90.0° | 119.2° |
| C2 | C4 | N2 | 90.0° | 120.4° |
| C4 | C2 | H11 | 90.0° | 120.9° |
| C4 | C5 | N1 | 90.0° | 121.1° |
| C5 | C4 | N2 | 90.0° | 120.5° |
| C4 | C5 | H12 | 90.0° | 119.4° |
| N1 | C5 | H12 | 90.0° | 119.5° |
| C4 | N2 | H15 | 90.0° | 120.0° |
| C4 | N2 | H17 | 90.0° | 120.0° |
| H15 | N2 | H17 | 90.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAR | CAU | CAT | SAN | 179.4° | 179.8° |
| CAR | CAU | CAT | CAO | 0.4° | 0.1° |
| CAR | CAU | CAT | NAL | 179.8° | 179.9° |
| CAR | CAU | SAN | CAS | 179.7° | 180.0° |
| CAU | CAR | C1 | C2 | 90.0° | 179.7° |
| CAU | CAR | C1 | N1 | 90.0° | 180.0° |
| CAU | CAR | C2 | C4 | 90.0° | 180.0° |
| CAU | CAR | C1 | H10 | 90.0° | 0.0° |
| CAU | CAR | C2 | H11 | 90.0° | 0.0° |
| CAA | CAO | CAT | CAU | 1.5° | 173.9° |
| CAA | CAO | CAT | OAF | 179.4° | 179.9° |
| CAA | CAO | CAT | NAL | 178.4° | 6.1° |
| CAO | CAA | H1 | H2 | 120.0° | 120.0° |
| CAO | CAA | H1 | H3 | 120.0° | 120.1° |
| CAO | CAA | H2 | H3 | 120.0° | 120.0° |
| CAU | CAT | CAO | NAL | 179.8° | 180.0° |
| CAU | CAT | CAO | OAF | 179.2° | 6.0° |
| CAT | CAU | SAN | CAS | 0.2° | 0.2° |
| CAU | CAT | NAL | CAS | 0.4° | 0.0° |
| CAT | CAU | CAR | C1 | 68.8° | 56.6° |
| CAT | CAU | CAR | C2 | 68.8° | 123.1° |
| SAN | CAU | CAT | CAO | 179.7° | 179.8° |
| SAN | CAU | CAT | NAL | 0.4° | 0.1° |
| CAU | SAN | CAS | NAL | 0.0° | 0.2° |
| CAU | SAN | CAS | NAM | 179.6° | 179.9° |
| SAN | CAU | CAR | C1 | 111.9° | 123.1° |
| SAN | CAU | CAR | C2 | 111.9° | 57.2° |
| CAO | CAT | NAL | CAS | 179.7° | 180.0° |
| CAT | CAO | CAA | H1 | 179.4° | 90.1° |
| CAT | CAO | CAA | H2 | 59.4° | 150.0° |
| CAT | CAO | CAA | H3 | 60.6° | 30.0° |
| OAF | CAO | CAT | NAL | 1.0° | 174.0° |
| OAF | CAO | CAA | H1 | 0.0° | 90.0° |
| OAF | CAO | CAA | H2 | 120.0° | 29.9° |
| OAF | CAO | CAA | H3 | 120.0° | 149.9° |
| CAT | NAL | CAS | SAN | 0.2° | 0.2° |
| CAT | NAL | CAS | NAM | 179.8° | 180.0° |
| SAN | CAS | NAL | NAM | 179.6° | 179.8° |
| SAN | CAS | NAM | CAP | 6.3° | 179.7° |
| SAN | CAS | NAM | H16 | 173.7° | 0.2° |
| NAL | CAS | NAM | CAP | 174.2° | 0.1° |
| NAL | CAS | NAM | H16 | 5.8° | 180.0° |
| CAS | NAM | CAP | OAG | 0.4° | 0.1° |
| CAS | NAM | CAP | H16 | 180.0° | 179.9° |
| CAS | NAM | CAP | CAV | 179.7° | 180.0° |
| OAG | CAP | NAM | CAV | 179.9° | 180.0° |
| OAG | CAP | CAV | NAE | 113.3° | 145.1° |
| OAG | CAP | CAV | CAC | 7.1° | 25.0° |
| OAG | CAP | CAV | CAB | 126.0° | 95.0° |
| OAG | CAP | NAM | H16 | 179.6° | 180.0° |
| NAM | CAP | CAV | NAE | 66.9° | 35.0° |
| NAM | CAP | CAV | CAC | 172.8° | 155.0° |
| NAM | CAP | CAV | CAB | 53.9° | 85.0° |
| NAE | CAV | CAP | CAC | 120.3° | 120.1° |
| NAE | CAV | CAP | CAB | 120.8° | 120.0° |
| NAE | CAV | CAC | CAB | 121.3° | 120.0° |
| NAE | CAV | CAB | H4 | 180.0° | 180.0° |
| NAE | CAV | CAB | H5 | 60.0° | 60.0° |
| NAE | CAV | CAB | H6 | 60.0° | 60.0° |
| NAE | CAV | CAC | H7 | 180.0° | 60.0° |
| NAE | CAV | CAC | H8 | 60.0° | 60.0° |
| NAE | CAV | CAC | H9 | 60.0° | 180.0° |
| CAV | NAE | H13 | H14 | 120.0° | 124.0° |
| CAP | CAV | CAC | CAB | 119.0° | 120.0° |
| CAP | CAV | CAB | H4 | 59.5° | 60.0° |
| CAP | CAV | CAB | H5 | 179.5° | 180.0° |
| CAP | CAV | CAB | H6 | 60.5° | 60.0° |
| CAP | CAV | CAC | H7 | 60.3° | 60.0° |
| CAP | CAV | CAC | H8 | 59.7° | 180.0° |
| CAP | CAV | CAC | H9 | 179.7° | 60.0° |
| CAP | CAV | NAE | H13 | 180.0° | 176.0° |
| CAP | CAV | NAE | H14 | 60.0° | 60.0° |
| CAV | CAP | NAM | H16 | 0.3° | 0.0° |
| CAC | CAV | CAB | H4 | 58.4° | 60.0° |
| CAC | CAV | CAB | H5 | 61.6° | 60.0° |
| CAC | CAV | CAB | H6 | 178.4° | 180.0° |
| CAV | CAC | H7 | H8 | 120.0° | 120.0° |
| CAV | CAC | H7 | H9 | 120.0° | 119.9° |
| CAV | CAC | H8 | H9 | 119.9° | 120.0° |
| CAC | CAV | NAE | H13 | 61.4° | 63.9° |
| CAC | CAV | NAE | H14 | 58.6° | 60.0° |
| CAV | CAB | H4 | H5 | 120.0° | 120.0° |
| CAV | CAB | H4 | H6 | 120.0° | 120.0° |
| CAV | CAB | H5 | H6 | 120.0° | 120.0° |
| CAB | CAV | CAC | H7 | 58.7° | 180.0° |
| CAB | CAV | CAC | H8 | 178.7° | 60.0° |
| CAB | CAV | CAC | H9 | 61.3° | 60.0° |
| CAB | CAV | NAE | H13 | 59.5° | 56.1° |
| CAB | CAV | NAE | H14 | 179.6° | 180.0° |
| H1 | CAA | H2 | H3 | 120.0° | 120.0° |
| H4 | CAB | H5 | H6 | 120.0° | 120.0° |
| H7 | CAC | H8 | H9 | 120.0° | 120.1° |
| CAR | C1 | N1 | H10 | 90.0° | 179.9° |
| C1 | CAR | C2 | C4 | 90.0° | 0.3° |
| CAR | C1 | N1 | C5 | 90.0° | 0.0° |
| C1 | CAR | C2 | H11 | 90.0° | 179.7° |
| C2 | CAR | C1 | N1 | 90.0° | 0.3° |
| CAR | C2 | C4 | H11 | 90.0° | 180.0° |
| CAR | C2 | C4 | C5 | 90.0° | 0.0° |
| CAR | C2 | C4 | N2 | 90.0° | 180.0° |
| C2 | CAR | C1 | H10 | 90.0° | 179.8° |
| C1 | N1 | C5 | C4 | 90.0° | 0.2° |
| C1 | N1 | C5 | H12 | 90.0° | 180.0° |
| C2 | C4 | C5 | N2 | 90.0° | 179.9° |
| C2 | C4 | C5 | N1 | 90.0° | 0.2° |
| C2 | C4 | C5 | H12 | 90.0° | 180.0° |
| C2 | C4 | N2 | H15 | 90.0° | 0.0° |
| C2 | C4 | N2 | H17 | 90.0° | 180.0° |
| C4 | C5 | N1 | H12 | 90.0° | 179.8° |
| C5 | C4 | C2 | H11 | 90.0° | 180.0° |
| C5 | C4 | N2 | H15 | 90.0° | 180.0° |
| C5 | C4 | N2 | H17 | 90.0° | 0.1° |
| N1 | C5 | C4 | N2 | 90.0° | 179.7° |
| C5 | N1 | C1 | H10 | 90.0° | 180.0° |
| N2 | C4 | C2 | H11 | 90.0° | 0.0° |
| N2 | C4 | C5 | H12 | 90.0° | 0.0° |
| C4 | N2 | H15 | H17 | 90.0° | 179.9° |
