9YG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAB | sing | 1.53Å | 1.54Å | |
| CAC | CAB | sing | 1.53Å | 1.54Å | |
| CAB | NAE | sing | 1.46Å | 1.54Å | |
| CAB | CAD | sing | 1.53Å | 1.53Å | |
| NAE | NAX | sing | 1.40Å | 1.23Å | Aromatic |
| NAE | C6 | sing | 1.36Å | 1.35Å | Aromatic |
| NAX | CAM | doub | 1.30Å | 1.32Å | Aromatic |
| C6 | N1 | doub | 1.33Å | 1.35Å | Aromatic |
| C6 | C5 | sing | 1.41Å | 1.35Å | Aromatic |
| N1 | C2 | sing | 1.32Å | 1.40Å | Aromatic |
| CAN | CAM | sing | 1.51Å | 1.54Å | |
| CAN | CAO | sing | 1.51Å | 1.54Å | |
| CAM | C5 | sing | 1.41Å | 1.34Å | Aromatic |
| C5 | C4 | doub | 1.41Å | 1.36Å | Aromatic |
| C2 | N3 | doub | 1.32Å | 1.40Å | Aromatic |
| C4 | N3 | sing | 1.33Å | 1.35Å | Aromatic |
| C4 | NAK | sing | 1.38Å | 1.33Å | |
| CAT | CAU | doub | 1.37Å | 1.40Å | Aromatic |
| CAT | CAS | sing | 1.40Å | 1.35Å | Aromatic |
| CAO | CAS | sing | 1.47Å | 1.33Å | Aromatic |
| CAO | CAP | doub | 1.34Å | 1.33Å | Aromatic |
| CAU | CAV | sing | 1.39Å | 1.40Å | Aromatic |
| CAS | CAR | doub | 1.41Å | 1.35Å | Aromatic |
| CAP | NAQ | sing | 1.37Å | 1.33Å | Aromatic |
| CAV | CAW | doub | 1.38Å | 1.40Å | Aromatic |
| CAR | NAQ | sing | 1.38Å | 1.33Å | Aromatic |
| CAR | CAW | sing | 1.39Å | 1.34Å | Aromatic |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAC | H4 | sing | 1.09Å | 1.10Å | |
| CAC | H5 | sing | 1.09Å | 1.10Å | |
| CAC | H6 | sing | 1.09Å | 1.10Å | |
| CAD | H7 | sing | 1.09Å | 1.10Å | |
| CAD | H8 | sing | 1.09Å | 1.10Å | |
| CAD | H9 | sing | 1.09Å | 1.10Å | |
| C2 | H10 | sing | 1.08Å | 1.08Å | |
| NAK | H11 | sing | 0.97Å | 1.00Å | |
| NAK | H12 | sing | 0.97Å | 1.00Å | |
| CAN | H13 | sing | 1.09Å | 1.10Å | |
| CAN | H14 | sing | 1.09Å | 1.10Å | |
| CAT | H15 | sing | 1.08Å | 1.08Å | |
| CAU | H16 | sing | 1.08Å | 1.08Å | |
| CAV | H17 | sing | 1.08Å | 1.08Å | |
| CAW | H18 | sing | 1.08Å | 1.08Å | |
| NAQ | H19 | sing | 0.97Å | 1.00Å | |
| CAP | H20 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | CAB | CAC | 108.6° | 109.5° |
| CAA | CAB | NAE | 109.9° | 109.5° |
| CAA | CAB | CAD | 108.8° | 109.4° |
| CAB | CAA | H1 | 109.5° | 109.5° |
| CAB | CAA | H2 | 109.5° | 109.5° |
| CAB | CAA | H3 | 109.5° | 109.4° |
| CAC | CAB | NAE | 110.9° | 109.5° |
| CAC | CAB | CAD | 107.9° | 109.5° |
| CAB | CAC | H4 | 109.5° | 109.5° |
| CAB | CAC | H5 | 109.4° | 109.5° |
| CAB | CAC | H6 | 109.5° | 109.5° |
| NAE | CAB | CAD | 110.7° | 109.4° |
| CAB | NAE | NAX | 124.1° | 125.9° |
| CAB | NAE | C6 | 127.3° | 125.9° |
| CAB | CAD | H7 | 109.5° | 109.5° |
| CAB | CAD | H8 | 109.4° | 109.5° |
| CAB | CAD | H9 | 109.5° | 109.5° |
| NAX | NAE | C6 | 108.5° | 108.2° |
| NAE | NAX | CAM | 110.0° | 109.7° |
| NAE | C6 | N1 | 130.7° | 134.6° |
| NAE | C6 | C5 | 108.3° | 106.6° |
| NAX | CAM | CAN | 121.2° | 125.8° |
| NAX | CAM | C5 | 108.5° | 108.5° |
| N1 | C6 | C5 | 121.0° | 118.8° |
| C6 | N1 | C2 | 120.4° | 120.7° |
| C6 | C5 | CAM | 103.9° | 107.0° |
| C6 | C5 | C4 | 119.5° | 118.3° |
| N1 | C2 | N3 | 117.8° | 122.7° |
| N1 | C2 | H10 | 121.1° | 118.6° |
| CAM | CAN | CAO | 113.6° | 109.5° |
| CAN | CAM | C5 | 128.3° | 125.7° |
| CAM | CAN | H13 | 108.4° | 109.5° |
| CAM | CAN | H14 | 108.4° | 109.5° |
| CAN | CAO | CAS | 124.7° | 126.5° |
| CAN | CAO | CAP | 125.5° | 126.5° |
| CAO | CAN | H13 | 108.4° | 109.5° |
| CAO | CAN | H14 | 108.4° | 109.4° |
| CAM | C5 | C4 | 136.1° | 134.7° |
| C5 | C4 | N3 | 121.8° | 118.4° |
| C5 | C4 | NAK | 118.6° | 120.8° |
| C2 | N3 | C4 | 119.5° | 121.2° |
| N3 | C2 | H10 | 121.1° | 118.7° |
| N3 | C4 | NAK | 119.6° | 120.8° |
| C4 | NAK | H11 | 109.5° | 120.1° |
| C4 | NAK | H12 | 109.5° | 120.0° |
| CAU | CAT | CAS | 120.3° | 119.8° |
| CAT | CAU | CAV | 118.8° | 120.5° |
| CAU | CAT | H15 | 119.8° | 120.2° |
| CAT | CAU | H16 | 120.6° | 119.8° |
| CAT | CAS | CAO | 132.6° | 134.0° |
| CAT | CAS | CAR | 120.8° | 120.0° |
| CAS | CAT | H15 | 119.8° | 120.1° |
| CAS | CAO | CAP | 109.6° | 107.0° |
| CAO | CAS | CAR | 106.6° | 106.0° |
| CAO | CAP | NAQ | 107.1° | 109.9° |
| CAO | CAP | H20 | 126.4° | 125.0° |
| CAU | CAV | CAW | 118.3° | 120.7° |
| CAV | CAU | H16 | 120.6° | 119.7° |
| CAU | CAV | H17 | 120.8° | 119.6° |
| CAS | CAR | NAQ | 107.9° | 107.1° |
| CAS | CAR | CAW | 121.2° | 119.3° |
| CAP | NAQ | CAR | 108.7° | 109.9° |
| CAP | NAQ | H19 | 125.6° | 125.1° |
| NAQ | CAP | H20 | 126.5° | 125.0° |
| CAV | CAW | CAR | 120.6° | 119.8° |
| CAW | CAV | H17 | 120.9° | 119.7° |
| CAV | CAW | H18 | 119.7° | 120.1° |
| NAQ | CAR | CAW | 130.9° | 133.6° |
| CAR | NAQ | H19 | 125.6° | 125.0° |
| CAR | CAW | H18 | 119.7° | 120.1° |
| H1 | CAA | H2 | 109.5° | 109.5° |
| H1 | CAA | H3 | 109.4° | 109.5° |
| H2 | CAA | H3 | 109.5° | 109.5° |
| H4 | CAC | H5 | 109.4° | 109.5° |
| H4 | CAC | H6 | 109.5° | 109.5° |
| H5 | CAC | H6 | 109.5° | 109.5° |
| H7 | CAD | H8 | 109.5° | 109.5° |
| H7 | CAD | H9 | 109.5° | 109.4° |
| H8 | CAD | H9 | 109.5° | 109.4° |
| H11 | NAK | H12 | 109.4° | 119.9° |
| H13 | CAN | H14 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | CAB | CAC | NAE | 120.8° | 120.1° |
| CAA | CAB | CAC | CAD | 117.8° | 120.0° |
| CAA | CAB | NAE | CAD | 120.2° | 120.0° |
| CAA | CAB | NAE | NAX | 112.0° | 0.0° |
| CAA | CAB | NAE | C6 | 63.3° | 180.0° |
| CAB | CAA | H1 | H2 | 120.0° | 120.1° |
| CAB | CAA | H1 | H3 | 120.0° | 119.9° |
| CAB | CAA | H2 | H3 | 120.0° | 119.9° |
| CAA | CAB | CAC | H4 | 180.0° | 60.0° |
| CAA | CAB | CAC | H5 | 60.0° | 180.0° |
| CAA | CAB | CAC | H6 | 60.0° | 60.0° |
| CAA | CAB | CAD | H7 | 180.0° | 60.0° |
| CAA | CAB | CAD | H8 | 60.0° | 179.9° |
| CAA | CAB | CAD | H9 | 60.0° | 60.0° |
| CAC | CAB | NAE | CAD | 119.7° | 120.0° |
| CAC | CAB | NAE | NAX | 8.1° | 120.0° |
| CAC | CAB | NAE | C6 | 176.7° | 60.0° |
| CAC | CAB | CAA | H1 | 180.0° | 180.0° |
| CAC | CAB | CAA | H2 | 60.0° | 59.9° |
| CAC | CAB | CAA | H3 | 60.0° | 60.0° |
| CAB | CAC | H4 | H5 | 120.0° | 120.0° |
| CAB | CAC | H4 | H6 | 120.0° | 120.0° |
| CAB | CAC | H5 | H6 | 120.0° | 120.0° |
| CAC | CAB | CAD | H7 | 62.4° | 180.0° |
| CAC | CAB | CAD | H8 | 177.6° | 60.0° |
| CAC | CAB | CAD | H9 | 57.6° | 60.0° |
| CAB | NAE | NAX | C6 | 176.0° | 180.0° |
| CAB | NAE | NAX | CAM | 176.9° | 180.0° |
| CAB | NAE | C6 | N1 | 3.0° | 0.0° |
| CAB | NAE | C6 | C5 | 177.5° | 180.0° |
| NAE | CAB | CAA | H1 | 58.6° | 60.0° |
| NAE | CAB | CAA | H2 | 61.5° | 180.0° |
| NAE | CAB | CAA | H3 | 178.5° | 60.0° |
| NAE | CAB | CAC | H4 | 59.2° | 180.0° |
| NAE | CAB | CAC | H5 | 179.2° | 60.0° |
| NAE | CAB | CAC | H6 | 60.9° | 60.0° |
| NAE | CAB | CAD | H7 | 59.2° | 60.0° |
| NAE | CAB | CAD | H8 | 60.8° | 60.0° |
| NAE | CAB | CAD | H9 | 179.2° | 180.0° |
| CAD | CAB | NAE | NAX | 127.9° | 120.0° |
| CAD | CAB | NAE | C6 | 56.9° | 60.0° |
| CAD | CAB | CAA | H1 | 62.8° | 60.0° |
| CAD | CAB | CAA | H2 | 177.2° | 60.0° |
| CAD | CAB | CAA | H3 | 57.2° | 180.0° |
| CAD | CAB | CAC | H4 | 62.2° | 60.0° |
| CAD | CAB | CAC | H5 | 57.8° | 60.0° |
| CAD | CAB | CAC | H6 | 177.8° | 180.0° |
| CAB | CAD | H7 | H8 | 120.0° | 120.1° |
| CAB | CAD | H7 | H9 | 120.0° | 120.0° |
| CAB | CAD | H8 | H9 | 120.0° | 120.0° |
| NAX | NAE | C6 | N1 | 178.8° | 180.0° |
| NAX | NAE | C6 | C5 | 1.7° | 0.0° |
| NAE | NAX | CAM | CAN | 174.8° | 179.9° |
| NAE | NAX | CAM | C5 | 10.0° | 0.0° |
| C6 | NAE | NAX | CAM | 7.1° | 0.0° |
| NAE | C6 | N1 | C5 | 179.4° | 180.0° |
| NAE | C6 | N1 | C2 | 178.5° | 180.0° |
| NAE | C6 | C5 | CAM | 4.2° | 0.0° |
| NAE | C6 | C5 | C4 | 177.5° | 180.0° |
| NAX | CAM | C5 | C6 | 8.3° | 0.0° |
| NAX | CAM | CAN | C5 | 161.6° | 179.9° |
| NAX | CAM | CAN | CAO | 115.1° | 89.5° |
| NAX | CAM | C5 | C4 | 179.9° | 179.9° |
| NAX | CAM | CAN | H13 | 5.5° | 30.6° |
| NAX | CAM | CAN | H14 | 124.2° | 150.6° |
| N1 | C6 | C5 | CAM | 175.4° | 180.0° |
| N1 | C6 | C5 | C4 | 2.1° | 0.0° |
| C6 | N1 | C2 | N3 | 0.7° | 0.0° |
| C6 | N1 | C2 | H10 | 179.3° | 180.0° |
| C5 | C6 | N1 | C2 | 0.9° | 0.0° |
| C6 | C5 | CAM | CAN | 171.7° | 179.9° |
| C6 | C5 | CAM | C4 | 171.6° | 179.9° |
| C6 | C5 | C4 | N3 | 3.2° | 0.0° |
| C6 | C5 | C4 | NAK | 180.0° | 179.7° |
| N1 | C2 | N3 | H10 | 180.0° | 180.0° |
| N1 | C2 | N3 | C4 | 1.7° | 0.0° |
| CAM | CAN | CAO | H13 | 120.6° | 120.1° |
| CAM | CAN | CAO | H14 | 120.6° | 120.0° |
| CAN | CAM | C5 | C4 | 16.7° | 0.1° |
| CAM | CAN | CAO | CAS | 163.5° | 80.3° |
| CAM | CAN | CAO | CAP | 21.3° | 100.0° |
| CAM | CAN | H13 | H14 | 118.1° | 120.0° |
| CAO | CAN | CAM | C5 | 83.3° | 90.6° |
| CAN | CAO | CAS | CAT | 4.0° | 0.1° |
| CAN | CAO | CAS | CAP | 175.9° | 179.8° |
| CAN | CAO | CAS | CAR | 176.1° | 180.0° |
| CAN | CAO | CAP | NAQ | 175.9° | 179.9° |
| CAO | CAN | H13 | H14 | 118.1° | 120.0° |
| CAN | CAO | CAP | H20 | 4.1° | 0.1° |
| CAM | C5 | C4 | N3 | 173.8° | 180.0° |
| CAM | C5 | C4 | NAK | 9.4° | 0.2° |
| C5 | CAM | CAN | H13 | 156.1° | 149.3° |
| C5 | CAM | CAN | H14 | 37.3° | 29.3° |
| C5 | C4 | N3 | C2 | 3.0° | 0.0° |
| C5 | C4 | N3 | NAK | 176.8° | 179.8° |
| C5 | C4 | NAK | H11 | 177.0° | 172.9° |
| C5 | C4 | NAK | H12 | 63.1° | 7.1° |
| C2 | N3 | C4 | NAK | 179.8° | 179.7° |
| C4 | N3 | C2 | H10 | 178.2° | 180.0° |
| N3 | C4 | NAK | H11 | 0.0° | 7.3° |
| N3 | C4 | NAK | H12 | 120.0° | 172.7° |
| C4 | NAK | H11 | H12 | 120.0° | 180.0° |
| CAU | CAT | CAS | H15 | 180.0° | 179.9° |
| CAU | CAT | CAS | CAO | 179.7° | 180.0° |
| CAT | CAU | CAV | H16 | 180.0° | 179.9° |
| CAU | CAT | CAS | CAR | 0.2° | 0.0° |
| CAT | CAU | CAV | CAW | 0.7° | 0.0° |
| CAT | CAU | CAV | H17 | 179.3° | 179.9° |
| CAT | CAS | CAO | CAR | 179.9° | 180.0° |
| CAT | CAS | CAO | CAP | 179.9° | 179.8° |
| CAS | CAT | CAU | CAV | 0.1° | 0.1° |
| CAT | CAS | CAR | NAQ | 179.9° | 179.9° |
| CAT | CAS | CAR | CAW | 0.1° | 0.0° |
| CAS | CAT | CAU | H16 | 179.9° | 180.0° |
| CAS | CAO | CAP | NAQ | 0.1° | 0.4° |
| CAO | CAS | CAR | NAQ | 0.3° | 0.0° |
| CAO | CAS | CAR | CAW | 180.0° | 179.9° |
| CAS | CAO | CAN | H13 | 42.8° | 39.7° |
| CAS | CAO | CAN | H14 | 75.9° | 159.7° |
| CAO | CAS | CAT | H15 | 0.3° | 0.1° |
| CAS | CAO | CAP | H20 | 179.9° | 179.7° |
| CAP | CAO | CAS | CAR | 0.3° | 0.2° |
| CAO | CAP | NAQ | H20 | 180.0° | 179.9° |
| CAO | CAP | NAQ | CAR | 0.0° | 0.4° |
| CAP | CAO | CAN | H13 | 142.0° | 140.0° |
| CAP | CAO | CAN | H14 | 99.3° | 20.0° |
| CAO | CAP | NAQ | H19 | 180.0° | 179.8° |
| CAU | CAV | CAW | H17 | 180.0° | 180.0° |
| CAU | CAV | CAW | CAR | 1.0° | 0.1° |
| CAV | CAU | CAT | H15 | 179.9° | 180.0° |
| CAU | CAV | CAW | H18 | 179.0° | 179.9° |
| CAS | CAR | NAQ | CAP | 0.2° | 0.3° |
| CAS | CAR | CAW | CAV | 0.7° | 0.1° |
| CAS | CAR | NAQ | CAW | 179.7° | 179.9° |
| CAR | CAS | CAT | H15 | 179.8° | 180.0° |
| CAS | CAR | CAW | H18 | 179.3° | 179.9° |
| CAS | CAR | NAQ | H19 | 179.8° | 180.0° |
| CAP | NAQ | CAR | H19 | 180.0° | 179.7° |
| CAP | NAQ | CAR | CAW | 179.9° | 179.9° |
| CAV | CAW | CAR | NAQ | 179.6° | 179.9° |
| CAV | CAW | CAR | H18 | 180.0° | 180.0° |
| CAW | CAV | CAU | H16 | 179.3° | 180.0° |
| NAQ | CAR | CAW | H18 | 0.4° | 0.1° |
| CAR | NAQ | CAP | H20 | 179.9° | 179.7° |
| CAR | CAW | CAV | H17 | 179.0° | 180.0° |
| CAW | CAR | NAQ | H19 | 0.1° | 0.1° |
| H1 | CAA | H2 | H3 | 120.0° | 120.0° |
| H4 | CAC | H5 | H6 | 120.0° | 120.0° |
| H7 | CAD | H8 | H9 | 120.0° | 119.9° |
| H15 | CAT | CAU | H16 | 0.1° | 0.0° |
| H16 | CAU | CAV | H17 | 0.7° | 0.0° |
| H17 | CAV | CAW | H18 | 1.0° | 0.0° |
| H19 | NAQ | CAP | H20 | 0.0° | 0.1° |
