G1E
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NAB | CAS | sing | 1.40Å | 1.33Å | |
| CAS | CAG | doub | 1.39Å | 1.39Å | Aromatic |
| CAS | CAE | sing | 1.39Å | 1.39Å | Aromatic |
| CAG | CAT | sing | 1.40Å | 1.39Å | Aromatic |
| CAE | NAK | doub | 1.32Å | 1.40Å | Aromatic |
| CAA | CAQ | sing | 1.51Å | 1.53Å | |
| CAT | CAW | sing | 1.48Å | 1.35Å | |
| CAT | CAF | doub | 1.40Å | 1.39Å | Aromatic |
| NAK | CAF | sing | 1.32Å | 1.40Å | Aromatic |
| CAW | CAV | doub | 1.38Å | 1.37Å | Aromatic |
| CAW | SAP | sing | 1.76Å | 1.72Å | Aromatic |
| CAQ | CAV | sing | 1.42Å | 1.36Å | |
| CAQ | OAC | doub | 1.21Å | 1.23Å | |
| CAV | NAL | sing | 1.33Å | 1.36Å | Aromatic |
| SAP | CAU | sing | 1.76Å | 1.66Å | Aromatic |
| NAL | CAU | doub | 1.29Å | 1.34Å | Aromatic |
| CAU | NAO | sing | 1.39Å | 1.34Å | |
| NAO | C | sing | 1.35Å | 1.35Å | |
| O | C | doub | 1.21Å | 1.23Å | |
| C | CA | sing | 1.51Å | 1.53Å | |
| CA | N | sing | 1.47Å | 1.47Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| N | CAI | sing | 1.47Å | 1.47Å | |
| CAI | CAH | sing | 1.53Å | 1.51Å | |
| CB | NAM | sing | 1.47Å | 1.47Å | |
| NAM | CAH | sing | 1.47Å | 1.47Å | |
| N | H1 | sing | 1.01Å | 1.00Å | |
| CA | H3 | sing | 1.09Å | 1.10Å | |
| CB | H4 | sing | 1.09Å | 1.10Å | |
| CB | H5 | sing | 1.09Å | 1.10Å | |
| CAA | H6 | sing | 1.09Å | 1.10Å | |
| CAA | H7 | sing | 1.09Å | 1.10Å | |
| CAA | H8 | sing | 1.09Å | 1.10Å | |
| CAE | H9 | sing | 1.08Å | 1.08Å | |
| CAF | H10 | sing | 1.08Å | 1.08Å | |
| CAG | H11 | sing | 1.08Å | 1.08Å | |
| CAH | H12 | sing | 1.09Å | 1.10Å | |
| CAH | H13 | sing | 1.09Å | 1.10Å | |
| CAI | H14 | sing | 1.09Å | 1.10Å | |
| CAI | H15 | sing | 1.09Å | 1.10Å | |
| NAB | H16 | sing | 0.97Å | 1.00Å | |
| NAB | H17 | sing | 0.97Å | 1.00Å | |
| NAM | H18 | sing | 1.01Å | 1.00Å | |
| NAO | H20 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAB | CAS | CAG | 120.2° | 120.4° |
| NAB | CAS | CAE | 119.4° | 120.4° |
| CAS | NAB | H16 | 109.5° | 120.0° |
| CAS | NAB | H17 | 109.5° | 120.0° |
| CAG | CAS | CAE | 120.4° | 119.2° |
| CAS | CAG | CAT | 121.7° | 118.3° |
| CAS | CAG | H11 | 119.1° | 120.9° |
| CAS | CAE | NAK | 119.0° | 121.0° |
| CAS | CAE | H9 | 120.5° | 119.5° |
| CAG | CAT | CAW | 126.5° | 120.6° |
| CAG | CAT | CAF | 117.3° | 118.9° |
| CAT | CAG | H11 | 119.2° | 120.9° |
| CAE | NAK | CAF | 119.9° | 122.0° |
| NAK | CAE | H9 | 120.5° | 119.5° |
| CAA | CAQ | CAV | 122.6° | 120.0° |
| CAA | CAQ | OAC | 117.7° | 120.0° |
| CAQ | CAA | H6 | 109.5° | 109.4° |
| CAQ | CAA | H7 | 109.5° | 109.5° |
| CAQ | CAA | H8 | 109.5° | 109.5° |
| CAW | CAT | CAF | 116.2° | 120.6° |
| CAT | CAW | CAV | 133.2° | 126.0° |
| CAT | CAW | SAP | 119.5° | 126.0° |
| CAT | CAF | NAK | 121.6° | 120.8° |
| CAT | CAF | H10 | 119.2° | 119.6° |
| NAK | CAF | H10 | 119.2° | 119.6° |
| CAV | CAW | SAP | 107.3° | 108.0° |
| CAW | CAV | CAQ | 133.4° | 122.9° |
| CAW | CAV | NAL | 112.6° | 114.3° |
| CAW | SAP | CAU | 95.0° | 90.3° |
| CAV | CAQ | OAC | 119.6° | 120.0° |
| CAQ | CAV | NAL | 114.0° | 122.8° |
| CAV | NAL | CAU | 117.2° | 117.2° |
| SAP | CAU | NAL | 107.9° | 110.1° |
| SAP | CAU | NAO | 130.2° | 124.9° |
| NAL | CAU | NAO | 121.9° | 124.9° |
| CAU | NAO | C | 122.6° | 120.0° |
| CAU | NAO | H20 | 118.7° | 120.1° |
| NAO | C | O | 126.0° | 120.0° |
| NAO | C | CA | 114.6° | 120.0° |
| C | NAO | H20 | 118.7° | 119.9° |
| O | C | CA | 119.4° | 120.0° |
| C | CA | N | 108.7° | 109.5° |
| C | CA | CB | 108.0° | 109.5° |
| C | CA | H3 | 109.6° | 109.6° |
| N | CA | CB | 110.5° | 109.3° |
| CA | N | CAI | 110.3° | 110.9° |
| CA | N | H1 | 109.3° | 111.0° |
| N | CA | H3 | 110.4° | 109.5° |
| CA | CB | NAM | 111.1° | 109.4° |
| CB | CA | H3 | 109.6° | 109.5° |
| CA | CB | H4 | 109.0° | 109.4° |
| CA | CB | H5 | 109.1° | 109.5° |
| N | CAI | CAH | 110.6° | 109.3° |
| CAI | N | H1 | 109.2° | 111.0° |
| N | CAI | H14 | 109.2° | 109.5° |
| N | CAI | H15 | 109.2° | 109.5° |
| CAI | CAH | NAM | 110.8° | 109.4° |
| CAI | CAH | H12 | 109.1° | 109.5° |
| CAI | CAH | H13 | 109.1° | 109.5° |
| CAH | CAI | H14 | 109.2° | 109.5° |
| CAH | CAI | H15 | 109.2° | 109.5° |
| CB | NAM | CAH | 108.9° | 110.9° |
| NAM | CB | H4 | 109.1° | 109.5° |
| NAM | CB | H5 | 109.0° | 109.5° |
| CB | NAM | H18 | 109.6° | 111.0° |
| NAM | CAH | H12 | 109.1° | 109.5° |
| NAM | CAH | H13 | 109.1° | 109.5° |
| CAH | NAM | H18 | 109.6° | 111.0° |
| H4 | CB | H5 | 109.5° | 109.6° |
| H6 | CAA | H7 | 109.5° | 109.4° |
| H6 | CAA | H8 | 109.5° | 109.4° |
| H7 | CAA | H8 | 109.5° | 109.5° |
| H12 | CAH | H13 | 109.5° | 109.5° |
| H14 | CAI | H15 | 109.5° | 109.5° |
| H16 | NAB | H17 | 109.4° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAB | CAS | CAG | CAE | 179.3° | 180.0° |
| NAB | CAS | CAG | CAT | 179.5° | 179.5° |
| NAB | CAS | CAE | NAK | 180.0° | 179.9° |
| NAB | CAS | CAE | H9 | 0.0° | 0.3° |
| NAB | CAS | CAG | H11 | 0.5° | 0.2° |
| CAS | NAB | H16 | H17 | 120.0° | 179.9° |
| CAS | CAG | CAT | H11 | 180.0° | 179.2° |
| CAG | CAS | CAE | NAK | 0.7° | 0.1° |
| CAS | CAG | CAT | CAW | 179.3° | 179.2° |
| CAS | CAG | CAT | CAF | 1.1° | 0.7° |
| CAG | CAS | CAE | H9 | 179.3° | 179.8° |
| CAG | CAS | NAB | H16 | 180.0° | 0.0° |
| CAG | CAS | NAB | H17 | 60.0° | 180.0° |
| CAE | CAS | CAG | CAT | 1.2° | 0.5° |
| CAS | CAE | NAK | H9 | 180.0° | 179.8° |
| CAS | CAE | NAK | CAF | 0.2° | 0.2° |
| CAE | CAS | CAG | H11 | 178.8° | 179.8° |
| CAE | CAS | NAB | H16 | 0.7° | 180.0° |
| CAE | CAS | NAB | H17 | 120.7° | 0.0° |
| CAG | CAT | CAW | CAF | 179.5° | 179.9° |
| CAG | CAT | CAF | NAK | 0.7° | 0.5° |
| CAG | CAT | CAW | CAV | 56.7° | 123.3° |
| CAG | CAT | CAW | SAP | 127.4° | 56.5° |
| CAG | CAT | CAF | H10 | 179.3° | 179.4° |
| CAE | NAK | CAF | CAT | 0.2° | 0.0° |
| CAE | NAK | CAF | H10 | 179.7° | 179.9° |
| CAA | CAQ | CAV | CAW | 0.2° | 174.2° |
| CAA | CAQ | CAV | OAC | 176.8° | 179.9° |
| CAA | CAQ | CAV | NAL | 179.6° | 5.8° |
| CAQ | CAA | H6 | H7 | 120.0° | 119.9° |
| CAQ | CAA | H6 | H8 | 120.0° | 120.1° |
| CAQ | CAA | H7 | H8 | 120.0° | 120.1° |
| CAW | CAT | CAF | NAK | 179.8° | 179.5° |
| CAT | CAW | CAV | SAP | 176.3° | 179.8° |
| CAT | CAW | CAV | CAQ | 2.6° | 0.0° |
| CAT | CAW | CAV | NAL | 176.9° | 179.9° |
| CAT | CAW | SAP | CAU | 177.5° | 180.0° |
| CAW | CAT | CAF | H10 | 0.3° | 0.6° |
| CAW | CAT | CAG | H11 | 0.7° | 0.0° |
| CAT | CAF | NAK | H10 | 180.0° | 179.9° |
| CAF | CAT | CAW | CAV | 123.7° | 56.6° |
| CAF | CAT | CAW | SAP | 52.2° | 123.6° |
| CAF | CAT | CAG | H11 | 178.9° | 180.0° |
| CAF | NAK | CAE | H9 | 179.8° | 180.0° |
| CAW | CAV | CAQ | NAL | 179.4° | 180.0° |
| CAW | CAV | CAQ | OAC | 176.6° | 5.9° |
| CAV | CAW | SAP | CAU | 0.6° | 0.2° |
| CAW | CAV | NAL | CAU | 0.3° | 0.1° |
| SAP | CAW | CAV | CAQ | 178.9° | 179.9° |
| SAP | CAW | CAV | NAL | 0.6° | 0.1° |
| CAW | SAP | CAU | NAL | 0.5° | 0.3° |
| CAW | SAP | CAU | NAO | 179.4° | 180.0° |
| CAQ | CAV | NAL | CAU | 179.3° | 179.9° |
| CAV | CAQ | CAA | H6 | 176.9° | 90.1° |
| CAV | CAQ | CAA | H7 | 63.1° | 150.0° |
| CAV | CAQ | CAA | H8 | 56.9° | 29.9° |
| OAC | CAQ | CAV | NAL | 2.8° | 174.0° |
| OAC | CAQ | CAA | H6 | 0.0° | 90.0° |
| OAC | CAQ | CAA | H7 | 120.0° | 29.9° |
| OAC | CAQ | CAA | H8 | 120.0° | 150.0° |
| CAV | NAL | CAU | SAP | 0.2° | 0.3° |
| CAV | NAL | CAU | NAO | 179.2° | 180.0° |
| SAP | CAU | NAL | NAO | 179.1° | 179.7° |
| SAP | CAU | NAO | C | 5.7° | 179.7° |
| SAP | CAU | NAO | H20 | 174.3° | 0.3° |
| NAL | CAU | NAO | C | 173.2° | 0.1° |
| NAL | CAU | NAO | H20 | 6.8° | 180.0° |
| CAU | NAO | C | H20 | 180.0° | 179.9° |
| CAU | NAO | C | O | 4.2° | 0.1° |
| CAU | NAO | C | CA | 175.6° | 180.0° |
| NAO | C | O | CA | 179.9° | 179.9° |
| NAO | C | CA | N | 166.9° | 160.0° |
| NAO | C | CA | CB | 73.2° | 80.2° |
| NAO | C | CA | H3 | 46.2° | 39.9° |
| O | C | CA | N | 13.3° | 20.0° |
| O | C | CA | CB | 106.6° | 99.9° |
| O | C | CA | H3 | 133.9° | 140.0° |
| O | C | NAO | H20 | 175.8° | 180.0° |
| C | CA | N | CB | 118.4° | 119.9° |
| C | CA | N | H3 | 120.2° | 120.1° |
| C | CA | CB | H3 | 119.4° | 120.1° |
| C | CA | N | CAI | 174.4° | 179.3° |
| C | CA | CB | NAM | 176.1° | 178.3° |
| C | CA | N | H1 | 54.3° | 55.3° |
| C | CA | CB | H4 | 63.6° | 61.7° |
| C | CA | CB | H5 | 55.9° | 58.4° |
| CA | C | NAO | H20 | 4.4° | 0.1° |
| N | CA | CB | H3 | 121.8° | 119.9° |
| CA | N | CAI | H1 | 120.1° | 123.9° |
| CA | N | CAI | CAH | 57.0° | 59.3° |
| N | CA | CB | NAM | 57.4° | 58.4° |
| N | CA | CB | H4 | 177.6° | 178.3° |
| N | CA | CB | H5 | 62.9° | 61.6° |
| CA | N | CAI | H14 | 177.1° | 179.3° |
| CA | N | CAI | H15 | 63.2° | 60.6° |
| CB | CA | N | CAI | 56.0° | 59.3° |
| CA | CB | NAM | H4 | 120.2° | 119.9° |
| CA | CB | NAM | H5 | 120.3° | 119.9° |
| CA | CB | NAM | CAH | 58.1° | 59.3° |
| CB | CA | N | H1 | 64.1° | 64.6° |
| CA | CB | H4 | H5 | 119.3° | 120.0° |
| CA | CB | NAM | H18 | 61.8° | 64.6° |
| N | CAI | CAH | H14 | 120.2° | 120.0° |
| N | CAI | CAH | H15 | 120.2° | 120.0° |
| N | CAI | CAH | NAM | 59.0° | 58.4° |
| CAI | N | CA | H3 | 65.4° | 60.6° |
| N | CAI | CAH | H12 | 61.2° | 61.6° |
| N | CAI | CAH | H13 | 179.2° | 178.3° |
| N | CAI | H14 | H15 | 119.5° | 120.1° |
| CAI | CAH | NAM | CB | 58.9° | 59.3° |
| CAI | CAH | NAM | H12 | 120.2° | 120.0° |
| CAI | CAH | NAM | H13 | 120.2° | 120.0° |
| CAH | CAI | N | H1 | 63.2° | 64.6° |
| CAI | CAH | H12 | H13 | 119.3° | 120.1° |
| CAH | CAI | H14 | H15 | 119.4° | 120.1° |
| CAI | CAH | NAM | H18 | 61.0° | 64.5° |
| CB | NAM | CAH | H18 | 119.9° | 123.8° |
| NAM | CB | CA | H3 | 64.5° | 61.6° |
| NAM | CB | H4 | H5 | 119.2° | 120.1° |
| CB | NAM | CAH | H12 | 61.3° | 60.7° |
| CB | NAM | CAH | H13 | 179.1° | 179.3° |
| CAH | NAM | CB | H4 | 178.4° | 179.2° |
| CAH | NAM | CB | H5 | 62.1° | 60.6° |
| NAM | CAH | H12 | H13 | 119.4° | 120.0° |
| NAM | CAH | CAI | H14 | 179.2° | 178.4° |
| NAM | CAH | CAI | H15 | 61.2° | 61.6° |
| H1 | N | CA | H3 | 174.5° | 175.5° |
| H1 | N | CAI | H14 | 57.0° | 55.4° |
| H1 | N | CAI | H15 | 176.7° | 175.5° |
| H3 | CA | CB | H4 | 55.8° | 58.4° |
| H3 | CA | CB | H5 | 175.3° | 178.5° |
| H4 | CB | NAM | H18 | 58.4° | 55.4° |
| H5 | CB | NAM | H18 | 177.9° | 175.5° |
| H6 | CAA | H7 | H8 | 120.0° | 120.0° |
| H12 | CAH | CAI | H14 | 59.0° | 58.4° |
| H12 | CAH | CAI | H15 | 178.6° | 178.4° |
| H12 | CAH | NAM | H18 | 178.8° | 175.5° |
| H13 | CAH | CAI | H14 | 60.6° | 61.7° |
| H13 | CAH | CAI | H15 | 59.0° | 58.4° |
| H13 | CAH | NAM | H18 | 59.2° | 55.4° |
