E9W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAB | trip | 1.17Å | 1.16Å | |
| CAB | CAC | sing | 1.47Å | 1.50Å | |
| CAC | NAD | sing | 1.46Å | 1.49Å | |
| NAD | CAE | sing | 1.35Å | 1.33Å | |
| OAF | CAE | doub | 1.21Å | 1.24Å | |
| CAE | CAG | sing | 1.51Å | 1.53Å | |
| N6 | C6 | sing | 1.39Å | 1.35Å | |
| CAG | SAH | sing | 1.81Å | 1.85Å | |
| N7 | C5 | sing | 1.36Å | 1.33Å | Aromatic |
| N7 | C8 | doub | 1.31Å | 1.33Å | Aromatic |
| C6 | C5 | doub | 1.40Å | 1.38Å | Aromatic |
| C6 | N1 | sing | 1.33Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.40Å | 1.40Å | Aromatic |
| SAH | C8 | sing | 1.76Å | 1.78Å | |
| NAO | NAP | doub | 1.12Å | 1.32Å | |
| NAO | CAN | sing | 1.47Å | 1.47Å | |
| C8 | N9 | sing | 1.37Å | 1.35Å | Aromatic |
| N1 | C2 | doub | 1.32Å | 1.40Å | Aromatic |
| NAP | NAQ | doub | 1.12Å | 1.33Å | |
| OAL | CAM | sing | 1.44Å | 1.52Å | |
| OAL | CAK | sing | 1.44Å | 1.48Å | |
| C4 | N9 | sing | 1.38Å | 1.33Å | Aromatic |
| C4 | N3 | doub | 1.33Å | 1.33Å | Aromatic |
| N9 | CAK | sing | 1.47Å | 1.53Å | |
| C2 | N3 | sing | 1.32Å | 1.30Å | Aromatic |
| CAM | CAN | sing | 1.53Å | 1.49Å | |
| CAM | CAR | sing | 1.54Å | 1.55Å | |
| CAK | CAT | sing | 1.55Å | 1.53Å | |
| CAR | CAT | sing | 1.55Å | 1.54Å | |
| CAR | OAS | sing | 1.43Å | 1.42Å | |
| CAT | OAU | sing | 1.43Å | 1.44Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| CAA | H2 | sing | 1.05Å | 1.06Å | |
| CAC | H3 | sing | 1.09Å | 1.10Å | |
| CAC | H4 | sing | 1.09Å | 1.10Å | |
| CAG | H5 | sing | 1.09Å | 1.10Å | |
| CAG | H6 | sing | 1.09Å | 1.10Å | |
| CAK | H7 | sing | 1.09Å | 1.10Å | |
| CAM | H8 | sing | 1.09Å | 1.10Å | |
| CAN | H9 | sing | 1.09Å | 1.10Å | |
| CAN | H10 | sing | 1.09Å | 1.10Å | |
| CAR | H11 | sing | 1.09Å | 1.10Å | |
| CAT | H12 | sing | 1.09Å | 1.10Å | |
| N6 | H13 | sing | 0.97Å | 1.00Å | |
| N6 | H14 | sing | 0.97Å | 1.00Å | |
| NAD | H15 | sing | 0.97Å | 1.00Å | |
| OAS | H17 | sing | 0.97Å | 0.95Å | |
| OAU | H18 | sing | 0.97Å | 0.95Å | |
| NAQ | H16 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | CAB | CAC | 176.9° | 179.9° |
| CAB | CAA | H2 | 180.0° | 179.9° |
| CAB | CAC | NAD | 110.6° | 109.5° |
| CAB | CAC | H3 | 109.2° | 109.5° |
| CAB | CAC | H4 | 109.2° | 109.5° |
| CAC | NAD | CAE | 118.0° | 120.0° |
| NAD | CAC | H3 | 109.2° | 109.5° |
| NAD | CAC | H4 | 109.2° | 109.4° |
| CAC | NAD | H15 | 121.0° | 120.0° |
| NAD | CAE | OAF | 123.1° | 120.0° |
| NAD | CAE | CAG | 117.7° | 120.0° |
| CAE | NAD | H15 | 121.0° | 120.0° |
| OAF | CAE | CAG | 119.1° | 120.0° |
| CAE | CAG | SAH | 110.8° | 109.5° |
| CAE | CAG | H5 | 109.1° | 109.4° |
| CAE | CAG | H6 | 109.1° | 109.4° |
| N6 | C6 | C5 | 120.9° | 120.7° |
| N6 | C6 | N1 | 122.6° | 120.8° |
| C6 | N6 | H13 | 109.5° | 120.1° |
| C6 | N6 | H14 | 109.5° | 120.0° |
| CAG | SAH | C8 | 102.3° | 100.0° |
| SAH | CAG | H5 | 109.2° | 109.5° |
| SAH | CAG | H6 | 109.2° | 109.5° |
| C5 | N7 | C8 | 106.2° | 109.4° |
| N7 | C5 | C6 | 132.3° | 134.5° |
| N7 | C5 | C4 | 108.4° | 107.3° |
| N7 | C8 | SAH | 122.5° | 125.2° |
| N7 | C8 | N9 | 111.6° | 109.7° |
| C5 | C6 | N1 | 116.4° | 118.5° |
| C6 | C5 | C4 | 119.2° | 118.2° |
| C6 | N1 | C2 | 120.2° | 121.2° |
| C5 | C4 | N9 | 107.1° | 106.2° |
| C5 | C4 | N3 | 123.0° | 119.0° |
| SAH | C8 | N9 | 125.8° | 125.1° |
| NAP | NAO | CAN | 118.7° | 120.0° |
| NAO | NAP | NAQ | 179.6° | 180.0° |
| NAO | CAN | CAM | 108.9° | 109.5° |
| NAO | CAN | H9 | 109.6° | 109.5° |
| NAO | CAN | H10 | 109.6° | 109.5° |
| C8 | N9 | C4 | 106.7° | 107.4° |
| C8 | N9 | CAK | 127.8° | 126.3° |
| N1 | C2 | N3 | 122.3° | 122.4° |
| N1 | C2 | H1 | 118.9° | 118.8° |
| NAP | NAQ | H16 | 112.0° | 120.0° |
| CAM | OAL | CAK | 108.3° | 106.9° |
| OAL | CAM | CAN | 104.9° | 109.8° |
| OAL | CAM | CAR | 101.4° | 107.3° |
| OAL | CAM | H8 | 117.8° | 110.0° |
| OAL | CAK | N9 | 114.6° | 110.6° |
| OAL | CAK | CAT | 104.1° | 103.5° |
| OAL | CAK | H7 | 104.7° | 110.7° |
| N9 | C4 | N3 | 129.9° | 134.8° |
| C4 | N9 | CAK | 125.6° | 126.3° |
| C4 | N3 | C2 | 118.7° | 120.7° |
| N9 | CAK | CAT | 123.2° | 110.6° |
| N9 | CAK | H7 | 104.2° | 110.5° |
| N3 | C2 | H1 | 118.9° | 118.8° |
| CAN | CAM | CAR | 93.0° | 109.9° |
| CAN | CAM | H8 | 118.5° | 109.9° |
| CAM | CAN | H9 | 109.6° | 109.5° |
| CAM | CAN | H10 | 109.6° | 109.5° |
| CAM | CAR | CAT | 101.1° | 104.2° |
| CAM | CAR | OAS | 116.9° | 110.5° |
| CAR | CAM | H8 | 117.3° | 109.9° |
| CAM | CAR | H11 | 108.7° | 110.4° |
| CAK | CAT | CAR | 97.8° | 102.1° |
| CAK | CAT | OAU | 106.0° | 110.9° |
| CAT | CAK | H7 | 104.2° | 110.6° |
| CAK | CAT | H12 | 114.2° | 110.9° |
| CAT | CAR | OAS | 110.2° | 110.5° |
| CAR | CAT | OAU | 107.2° | 110.9° |
| CAT | CAR | H11 | 108.8° | 110.5° |
| CAR | CAT | H12 | 114.0° | 110.9° |
| OAS | CAR | H11 | 110.5° | 110.6° |
| CAR | OAS | H17 | 109.5° | 114.0° |
| OAU | CAT | H12 | 115.7° | 110.8° |
| CAT | OAU | H18 | 109.5° | 114.0° |
| H3 | CAC | H4 | 109.4° | 109.5° |
| H5 | CAG | H6 | 109.5° | 109.5° |
| H9 | CAN | H10 | 109.5° | 109.4° |
| H13 | N6 | H14 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | CAB | CAC | NAD | 149.7° | 139.2° |
| CAA | CAB | CAC | H3 | 29.5° | 19.2° |
| CAA | CAB | CAC | H4 | 90.1° | 100.8° |
| CAB | CAC | NAD | H3 | 120.2° | 120.0° |
| CAB | CAC | NAD | H4 | 120.2° | 120.0° |
| CAB | CAC | NAD | CAE | 154.8° | 180.0° |
| CAC | CAB | CAA | H2 | 119.7° | 164.8° |
| CAB | CAC | H3 | H4 | 119.4° | 120.0° |
| CAB | CAC | NAD | H15 | 25.2° | 0.1° |
| CAC | NAD | CAE | H15 | 180.0° | 179.9° |
| CAC | NAD | CAE | OAF | 4.2° | 0.0° |
| CAC | NAD | CAE | CAG | 179.9° | 180.0° |
| NAD | CAC | H3 | H4 | 119.5° | 120.0° |
| NAD | CAE | OAF | CAG | 175.8° | 180.0° |
| NAD | CAE | CAG | SAH | 87.1° | 180.0° |
| CAE | NAD | CAC | H3 | 85.0° | 60.0° |
| CAE | NAD | CAC | H4 | 34.6° | 60.0° |
| NAD | CAE | CAG | H5 | 33.1° | 60.0° |
| NAD | CAE | CAG | H6 | 152.7° | 60.0° |
| OAF | CAE | CAG | SAH | 89.0° | 0.0° |
| OAF | CAE | CAG | H5 | 150.8° | 120.0° |
| OAF | CAE | CAG | H6 | 31.3° | 120.0° |
| OAF | CAE | NAD | H15 | 175.7° | 180.0° |
| CAE | CAG | SAH | H5 | 120.2° | 120.0° |
| CAE | CAG | SAH | H6 | 120.2° | 120.0° |
| CAE | CAG | SAH | C8 | 90.9° | 180.0° |
| CAE | CAG | H5 | H6 | 119.4° | 119.9° |
| CAG | CAE | NAD | H15 | 0.1° | 0.1° |
| N6 | C6 | C5 | N7 | 4.4° | 0.5° |
| N6 | C6 | C5 | N1 | 177.3° | 179.4° |
| N6 | C6 | C5 | C4 | 179.8° | 179.9° |
| N6 | C6 | N1 | C2 | 179.7° | 179.8° |
| C6 | N6 | H13 | H14 | 120.0° | 180.0° |
| CAG | SAH | C8 | N7 | 11.0° | 0.0° |
| CAG | SAH | C8 | N9 | 167.6° | 179.9° |
| SAH | CAG | H5 | H6 | 119.4° | 120.0° |
| N7 | C5 | C6 | C4 | 175.4° | 179.4° |
| N7 | C5 | C6 | N1 | 178.4° | 179.9° |
| C5 | N7 | C8 | SAH | 179.9° | 180.0° |
| C5 | N7 | C8 | N9 | 1.1° | 0.1° |
| N7 | C5 | C4 | N9 | 1.5° | 0.0° |
| N7 | C5 | C4 | N3 | 179.0° | 180.0° |
| C8 | N7 | C5 | C6 | 177.4° | 179.4° |
| C8 | N7 | C5 | C4 | 1.6° | 0.0° |
| N7 | C8 | SAH | N9 | 178.6° | 180.0° |
| N7 | C8 | N9 | C4 | 0.1° | 0.1° |
| N7 | C8 | N9 | CAK | 179.9° | 180.0° |
| C5 | C6 | N1 | C2 | 2.4° | 0.5° |
| C6 | C5 | C4 | N9 | 177.9° | 179.6° |
| C6 | C5 | C4 | N3 | 2.6° | 0.5° |
| C5 | C6 | N6 | H13 | 177.1° | 0.1° |
| C5 | C6 | N6 | H14 | 57.1° | 180.0° |
| N1 | C6 | C5 | C4 | 2.9° | 0.7° |
| C6 | N1 | C2 | N3 | 1.4° | 0.0° |
| C6 | N1 | C2 | H1 | 178.6° | 179.7° |
| N1 | C6 | N6 | H13 | 0.0° | 179.3° |
| N1 | C6 | N6 | H14 | 120.0° | 0.7° |
| C5 | C4 | N9 | C8 | 0.8° | 0.1° |
| C5 | C4 | N9 | N3 | 179.4° | 179.9° |
| C5 | C4 | N9 | CAK | 178.9° | 180.0° |
| C5 | C4 | N3 | C2 | 1.4° | 0.0° |
| SAH | C8 | N9 | C4 | 178.9° | 179.9° |
| SAH | C8 | N9 | CAK | 1.3° | 0.0° |
| C8 | SAH | CAG | H5 | 29.3° | 60.0° |
| C8 | SAH | CAG | H6 | 148.9° | 60.0° |
| NAP | NAO | CAN | CAM | 176.3° | 120.0° |
| NAP | NAO | CAN | H9 | 56.4° | 0.0° |
| NAP | NAO | CAN | H10 | 63.8° | 120.0° |
| NAO | NAP | NAQ | H16 | 0.0° | 81.3° |
| CAN | NAO | NAP | NAQ | 43.3° | 171.4° |
| NAO | CAN | CAM | OAL | 61.1° | 67.1° |
| NAO | CAN | CAM | H9 | 119.9° | 120.0° |
| NAO | CAN | CAM | H10 | 119.9° | 120.0° |
| NAO | CAN | CAM | CAR | 163.7° | 175.0° |
| NAO | CAN | CAM | H8 | 72.9° | 54.0° |
| NAO | CAN | H9 | H10 | 120.3° | 120.0° |
| C8 | N9 | CAK | OAL | 59.8° | 39.0° |
| C8 | N9 | C4 | CAK | 179.8° | 179.9° |
| C8 | N9 | C4 | N3 | 179.7° | 180.0° |
| C8 | N9 | CAK | CAT | 68.4° | 75.1° |
| C8 | N9 | CAK | H7 | 173.7° | 162.0° |
| N1 | C2 | N3 | C4 | 0.9° | 0.3° |
| N1 | C2 | N3 | H1 | 180.0° | 179.7° |
| CAM | OAL | CAK | N9 | 158.4° | 158.6° |
| OAL | CAM | CAN | CAR | 102.7° | 117.8° |
| OAL | CAM | CAN | H8 | 134.0° | 121.1° |
| OAL | CAM | CAR | H8 | 129.7° | 119.6° |
| CAM | OAL | CAK | CAT | 21.1° | 40.0° |
| OAL | CAM | CAR | CAT | 38.8° | 2.0° |
| OAL | CAM | CAR | OAS | 80.9° | 120.7° |
| CAM | OAL | CAK | H7 | 88.0° | 78.5° |
| OAL | CAM | CAN | H9 | 58.8° | 172.8° |
| OAL | CAM | CAN | H10 | 179.0° | 52.9° |
| OAL | CAM | CAR | H11 | 153.2° | 116.6° |
| OAL | CAK | N9 | C4 | 119.9° | 140.9° |
| OAL | CAK | N9 | CAT | 128.2° | 114.1° |
| OAL | CAK | N9 | H7 | 113.9° | 123.0° |
| CAK | OAL | CAM | CAN | 85.1° | 145.9° |
| CAK | OAL | CAM | CAR | 11.2° | 26.5° |
| OAL | CAK | CAT | H7 | 109.5° | 118.6° |
| OAL | CAK | CAT | CAR | 44.3° | 37.0° |
| OAL | CAK | CAT | OAU | 154.9° | 155.2° |
| CAK | OAL | CAM | H8 | 140.6° | 93.0° |
| OAL | CAK | CAT | H12 | 76.5° | 81.2° |
| N9 | C4 | N3 | C2 | 179.2° | 179.9° |
| C4 | N9 | CAK | CAT | 111.9° | 105.0° |
| C4 | N9 | CAK | H7 | 6.0° | 17.9° |
| N3 | C4 | N9 | CAK | 0.5° | 0.1° |
| C4 | N3 | C2 | H1 | 179.2° | 180.0° |
| N9 | CAK | CAT | H7 | 117.9° | 122.8° |
| N9 | CAK | CAT | CAR | 176.9° | 155.6° |
| N9 | CAK | CAT | OAU | 72.6° | 86.2° |
| N9 | CAK | CAT | H12 | 56.1° | 37.4° |
| CAN | CAM | CAR | H8 | 124.4° | 121.0° |
| CAN | CAM | CAR | CAT | 67.1° | 121.4° |
| CAN | CAM | CAR | OAS | 173.2° | 119.9° |
| CAM | CAN | H9 | H10 | 120.3° | 120.0° |
| CAN | CAM | CAR | H11 | 47.3° | 2.8° |
| CAM | CAR | CAT | CAK | 51.1° | 20.9° |
| CAM | CAR | CAT | OAS | 124.4° | 118.6° |
| CAM | CAR | CAT | H11 | 114.4° | 118.6° |
| CAM | CAR | OAS | H11 | 125.0° | 122.6° |
| CAM | CAR | CAT | OAU | 160.6° | 139.1° |
| CAR | CAM | CAN | H9 | 43.8° | 55.0° |
| CAR | CAM | CAN | H10 | 76.4° | 65.0° |
| CAM | CAR | CAT | H12 | 69.9° | 97.3° |
| CAM | CAR | OAS | H17 | 180.0° | 61.5° |
| CAK | CAT | CAR | OAU | 109.5° | 118.2° |
| CAK | CAT | CAR | H12 | 121.0° | 118.2° |
| CAK | CAT | CAR | OAS | 73.3° | 97.8° |
| CAK | CAT | OAU | H12 | 127.8° | 123.7° |
| CAK | CAT | CAR | H11 | 165.5° | 139.5° |
| CAK | CAT | OAU | H18 | 180.0° | 180.0° |
| CAT | CAR | OAS | H11 | 120.3° | 122.7° |
| CAR | CAT | OAU | H12 | 128.5° | 123.6° |
| CAR | CAT | CAK | H7 | 65.2° | 81.6° |
| CAT | CAR | CAM | H8 | 168.5° | 117.5° |
| CAT | CAR | OAS | H17 | 65.3° | 176.2° |
| CAR | CAT | OAU | H18 | 76.3° | 67.3° |
| OAS | CAR | CAT | OAU | 36.3° | 20.5° |
| OAS | CAR | CAM | H8 | 48.8° | 1.1° |
| OAS | CAR | CAT | H12 | 165.8° | 144.0° |
| OAU | CAT | CAK | H7 | 45.4° | 36.6° |
| OAU | CAT | CAR | H11 | 85.0° | 102.3° |
| H3 | CAC | NAD | H15 | 95.0° | 120.0° |
| H4 | CAC | NAD | H15 | 145.4° | 120.1° |
| H7 | CAK | CAT | H12 | 174.0° | 160.2° |
| H8 | CAM | CAN | H9 | 167.2° | 66.1° |
| H8 | CAM | CAN | H10 | 47.0° | 174.0° |
| H8 | CAM | CAR | H11 | 77.1° | 123.8° |
| H11 | CAR | CAT | H12 | 44.5° | 21.3° |
| H11 | CAR | OAS | H17 | 55.0° | 61.1° |
| H12 | CAT | OAU | H18 | 52.2° | 56.3° |
